Scientists Commission Crucial Subsystem in Pioneering Particle Physics Experiment


Newswise — The U.S. Department of Energy’s (DOE) Argonne National Laboratory made a major contribution to a high-profile experiment seeking to discover new physics. Hosted at DOE’s Fermi National Accelerator Laboratory (Fermilab), the Mu2e (muon-to-electron conversion) experiment aims to observe an extremely rare process in particle physics. The experiment is a multiyear collaboration among more than 30 institutions and 200 scientists from around the world.

An Argonne team of high energy physics scientists designed and — most recently — commissioned a crucial Mu2e subsystem called the Cosmic Ray Veto (CRV) detector. This subsystem filters out the biggest source of background noise in Mu2e. Background noise refers to signals that mimic the rare process that Mu2e seeks to detect. The commissioning tests demonstrated that the CRV detector is working properly and collecting background data.

The CRV’s development and deployment was a collaborative effort among Argonne, Fermilab, Kansas State University, University of South Alabama, University of Virginia, Northern Illinois University and University of Michigan.

“The CRV detector will enable Mu2e to more reliably and accurately detect an event expected to be vanishingly rare according to current particle physics theory,” said Yuri Oksuzian, an Argonne physicist who has played a key role in Mu2e and the CRV’s development. ​“The CRV is essential because it screens out background noise that could mimic this event. Observing even a few cases of the event would be compelling evidence of new physics.”

Searching for a muon-to-electron conversion

Since the 1970s, the dominant theory in particle physics has been the Standard Model. Widely considered a robust theory, the Standard Model describes the interactions among the fundamental particles and forces in the universe. But it leaves many big questions unanswered. For example, it cannot explain gravity or dark matter, a mysterious type of matter that cannot be observed directly.

As a result, particle physicists are searching for new theories, particles and forces beyond the Standard Model. The aim is to provide a more comprehensive understanding of the universe.

Mu2e seeks to observe a muon changing to an electron without any other particles being produced. A muon is a fundamental particle that is a heavier version of an electron. The Standard Model expects this transition to be so rare that observing it at Mu2e would be a major discovery and strong evidence of new physics.

“If Mu2e detects a muon-to-electron conversion, it would indicate that there’s a new particle or force involved in this process,” said Oksuzian. ​“The discovery would fundamentally change our understanding of how the universe works.”

Screening out cosmic-ray muons

The Mu2e apparatus directs a high-intensity beam of muons to a thin aluminum foil target. Detectors probe the target for conversion events, indicated by the presence of electrons with a precise amount of energy and momentum. Remarkably, Mu2e is expected to be 10,000 times more sensitive to conversions than previous similar experiments.

The apparatus has critical subsystems that measure background — in other words, signals that look like conversions but aren’t. A major background source is cosmic rays. These are high-energy particles from space that collide with atoms in the Earth’s atmosphere. The collisions produce showers of particles, including muons, that reach the ground.

Muons can penetrate the Mu2e apparatus and knock electrons from the aluminum foil. These free electrons can potentially have the exact energy and momentum of an electron from a conversion event. If that happens, Mu2e’s detectors will mistakenly register them as the real signal.

The CRV detector, engineered by Argonne, detects background events caused by cosmic-ray muons. It is essentially a giant cage that covers key parts of the Mu2e apparatus. It consists of 83 modules, which together weigh about 60 tons. The modules are made of thousands of plastic strips that produce light photons when muons pass through them.

Special fibers inside the strips carry the photons to sensors called silicon photomultipliers. The sensors measure the photons, indicating the exact time of the muon’s passage. If the CRV detects a cosmic muon just before an electron appears in the Mu2e apparatus, that electron is rejected from the data.

“We had to carefully design the CRV structure so that there are no gaps between the modules,” said Oksuzian. ​“The objective was to ensure that the detector would not miss any cosmic muons.”

Without the CRV, cosmic-ray muons would produce thousands of ​“fake” conversion events over Mu2e’s three-to-five-year run time. Because muon-to-electron conversions are so rare, even a small number of fake events would compromise Mu2e’s accuracy. As a result, the CRV must detect and reject 99.99% of cosmic-ray muons passing through. Argonne recently evaluated the CRV’s performance over a two-year period and found that it can meet this strict design requirement.

Commissioning the CRV at Mu2e

Recently, the Argonne team transported the CRV components to the Mu2e building at Fermilab in Batavia, Illinois, and commissioned them to detect cosmic-ray muons. The successful test enabled the CRV to fulfill a key DOE technical milestone and performance objective, helping to advance Mu2e’s commissioning. Other Mu2e subsystems will be commissioned and tested over the next year.

The experiment is expected to begin in 2027. Argonne scientists will have important roles in Mu2e operations, including the CRV, data acquisition system and analysis of datasets.

Besides Oksuzian, Argonne’s CRV team also includes Simon Corrodi, Sam Grant, Peter Winter and Lei Xia.

DOE’s Office of Science is a key supporter of Mu2e and Argonne’s CRV research and oversees Mu2e’s implementation.

Argonne National Laboratory seeks solutions to pressing national problems in science and technology by conducting leading-edge basic and applied research in virtually every scientific discipline. Argonne is managed by UChicago Argonne, LLC for the U.S. Department of Energy’s Office of Science.

The U.S. Department of Energy’s Office of Science is the single largest supporter of basic research in the physical sciences in the United States and is working to address some of the most pressing challenges of our time. For more information, visit https://​ener​gy​.gov/​s​c​ience.




FAMU-FSU College of Engineering Researchers Develop New Model for Predicting Noise Feedback Loops From Supersonic Jets | Newswise


The research could help develop methods for reducing intense noise that threatens aircraft and ground crews

Newswise — Researchers from the FAMU-FSU College of Engineering and the Florida Center for Advanced Aero-Propulsion, or FCAAP, are helping to solve a safety challenge in military aviation: the extreme noise generated by supersonic jets during takeoff and landing.

The research, published in the Journal of Fluid Mechanics, demonstrates a new model for understanding how supersonic jets of air collide with the ground or other structures to create a resonant feedback loop that produces extreme noise that can reach dangerous volume levels.

The team examined jets like those found in a type of aircraft known as Short Takeoff and Vertical Landing jets, or STOVL. The ability to operate without a traditional runway gives these aircraft, such as the F-35B Lightning II, critical tactical advantages.

But as they descend toward the ground, their exhaust plumes interact with landing surfaces and generate intense noise, often exceeding 140 decibels, posing serious dangers to both aircraft structure and nearby personnel.

“Only a tiny fraction of the jet’s energy is transformed into sound, but this small fraction has a major impact,” said Farrukh S. Alvi, professor in the Department of Mechanical and Aerospace Engineering and former founding director of the Institute for Strategic Partnerships, Innovation, Research, and Education, or InSPIRE, and founding director of FCAAP. “The intense noise produced by jet engines can cause structural damage to the aircraft and damage the hearing of personnel on the ground. We are trying to understand the physics behind these supersonic jets and the noise they produce so that we can develop tools that can reduce their impacts. In fact, we have already had some success in developing techniques that can reduce jet noise.”

Why it matters

When the high-speed air coming from jet engines mixes with the ambient air, it creates large-scale disturbances that hit the ground, producing strong sound waves that propagate back toward the jet engine. This establishes a repeating, back‑and‑forth interaction and creates resonance, an example of a feedback loop, causing loud and repeating noise. For aircraft, these resonant vibrations accelerate structural fatigue and can generate hazardous low-pressure zones that can pull the aircraft toward the ground.

For crewmembers on the ground, sustained exposure to sound levels over 140 decibels can cause permanent hearing damage, even when wearing protective equipment. At peak intensities, extreme acoustic pressure can even cause organ damage.

 

An animation showing an aircraft using supersonic jets for a vertical landing. As it descends toward the ground, exhaust plumes interact with landing surfaces to generate intense noise, often exceeding 140 decibels, posing serious dangers to both aircraft structure and nearby personnel. (Courtesy of Myungjun Song)

 

 

A new approach to modeling jet resonance

The research team tested a supersonic, Mach 1.5 jet — 1.5 times the speed of sound — and adjusted nozzle pressure and the jet’s distance from the ground to simulate take-off/landing and make a range of measurements.

To see the airflow, they used a high‑speed camera and a specialized visualization technique called schlieren imaging that allowed them to ‘see’ the jet flow — including its large-scale disturbances and the sound waves generated in real time. At the same time, a highly sensitive microphone also recorded the sound produced by the jet.

When the jet is loud, the jet flow and the sound waves repeat at a regular rhythm, which is a characteristic of a resonant cycle. By matching images to a specific point in the cycle, the researchers developed a clear picture of the airflow and measured how fast large-scale disturbances in air moved and how sound waves traveled back toward the nozzle.

The researchers found that for many cases, the pitch — how the human brain perceives the frequency of sound waves — of the noise was primarily governed by acoustic standing waves, which appear stationary in space between the body of the plane and the ground. The findings reveal that the pitch is not primarily governed by disturbance velocity, thereby offering another perspective on the existing understanding of the resonance feedback. They also found that slower disturbances tend to be larger, consequently creating louder noise.

“That was surprising,” said postdoctoral researcher Myungjun Song, the study’s lead author. “We found that these acoustic standing waves are much more important in determining the pitch, while the size and speed of the disturbances decide the level or ‘loudness’ of the noise produced.”

The discovery offered the research team an insight. Because the disturbance speed has little effect on pitch, information about acoustic standing waves would be enough to predict the noise pitch.

The new model enables engineers to predict noise frequencies more easily during aircraft and landing pad design, a critical step toward protecting both aircraft structures and personnel from acoustic trauma.

World-class research facilities drive discovery

The experiments were conducted at FCAAP’s specialized research facilities, designed for advanced high-speed aerodynamic studies at the FAMU-FSU College of Engineering.

Researchers used the FCAAP’s STOVL facility, which offers cutting-edge flow diagnostic capabilities, and the hot jet facility, which can generate high-temperature, high-speed airflow in an anechoic chamber to allow for highly accurate acoustic measurements under realistic jet conditions.

“While jet propulsion is an important focus of our work, our research is not limited to it,” Alvi said. “The university and the college, through FCAAP, operates a polysonic wind tunnel that simulates supersonic flows up to Mach 6 — supersonic to hypersonic conditions. We also use our anechoic wind tunnel and subsonic wind tunnels for numerous other aerospace related research projects. Together, these facilities and the expertise of our researchers create a one-of-a-kind ecosystem for conducting leading-edge research in aerospace and aviation.”

An associated initiative, InSPIRE is an FSU-led effort to establish a new aerospace and advanced manufacturing hub in Bay County, Florida. The program builds on FCAAP’s foundation to develop complementary facilities for larger hypersonic wind tunnels that can handle a wider range of conditions for applied, industry-relevant research.

“In partnership with industry, InSPIRE is also integrating advanced manufacturing capabilities that will allow much more efficient test and evaluation and assist our industry partners to innovate manufacturing processes in a realistic factory-modeled setting,” said Alvi, the former director of InSPIRE. “Working with industry partners allows our researchers to use their expertise to solve the pressing and difficult problems that are directly relevant for industry.”

Research team and support

The project was a collaborative effort involving Song, the study’s lead author; Alvi; and graduate student Serdar Seçkin.

Funding was provided by the Office of Naval Research, with additional support from the National Science Foundation, the Air Force Office of Scientific Research, FCAAP, the FAMU-FSU College of Engineering and the Don Fuqua Eminent Scholar Fund.

 

 




Can Practical Superconductors Work Without Extreme Cooling?


Newswise — Scientists discovered how tiny changes in superhydride structure enable superconductivity at near room temperatures but extreme pressure — offering clues for designing more practical superconductors.

Superconductors allow electricity to flow without resistance, meaning no energy is lost as heat. This property makes them useful for technologies such as MRI scanners, particle accelerators, magnetic-levitation trains and some power-transmission systems. Most superconductors, however, only work at extremely low temperatures — often hundreds of degrees below zero Fahrenheit. Keeping materials that cold requires complex and costly cooling systems, which limits where the superconductors can be used.

Researchers at the U.S. Department of Energy’s (DOE) Argonne National Laboratory have helped take a step toward easing that limitation. They have gained new insight into a class of materials called superhydrides that can become superconducting at much higher temperatures — around 10 degrees Fahrenheit.

The research was carried out with collaborators from the University of Illinois Chicago (UIC), the University of Chicago and DOE’s Lawrence Livermore National Laboratory. A key tool was the upgraded Advanced Photon Source (APS), a DOE Office of Science user facility at Argonne.

“These experiments show what the upgraded APS can do. We can now study atomic-level structures with unprecedented detail in materials under extreme pressure.” — Maddury Somayazulu, Argonne physicist

Superhydrides are made mostly of hydrogen, held together in an ordered structure (crystal) by a small number of metal atoms. When subjected to extremely high pressures, these materials can carry electric current with no resistance. In a landmark 2018 study, researchers led by UIC professor Russell Hemley showed that a lanthanum-based superhydride could superconduct near 8 degrees Fahrenheit. The drawback was that it only worked at pressures equivalent to those deep within the Earth (1.88 million atmospheres), making it impractical outside the lab.

In the new study, Hemley and his fellow researchers explored whether changing the material’s chemistry could lower the pressure needed for superconductivity. They added a small amount of yttrium to the lanthanum superhydride to make it more stable and reduce the pressure required.

“To reach these extreme pressures, we squeezed a tiny sample between two diamonds,” said Maddury Somayazulu, a physicist at the APS. The team’s diamond-anvil device can generate pressures as high as five million atmospheres.

After forming the superconducting material at high pressure and temperature, the team used high-energy X-rays from the APS to study its structure (at beamlines 16-ID-B and 13-ID-D). ​“We focused an intense X-ray beam onto a sample only a few micrometers thick and about ten to twenty micrometers across,” said Vitali Prakapenka, a beamline scientist and research professor at the University of Chicago. One micrometer is about 1/70th the width of a human hair.

The recent APS upgrade made these measurements possible. Its brighter, more tightly focused X-ray beam allowed researchers to study extremely small samples while changing the pressure. ​“That beam allowed us to separate signals coming from the tiny sample itself as opposed to those coming from the surrounding materials and diamond anvils,” Prakapenka said.

The team found that small differences in how atoms are arranged in a crystalline lattice can strongly affect superconductivity. They identified two different crystal structures, each becoming superconducting at a slightly different temperature.

“These experiments show what the upgraded APS can do,” Somayazulu said. ​“We can now study atomic-level structures with unprecedented detail in materials under extreme pressure.”

Although the pressures used in the experiments are still very high — about 1.4 million times atmospheric pressure — the researchers see this as part of a longer path forward. They are adding more elements to lower the pressure further with the goal of making these materials practical.

Diamonds provide a useful comparison, Somayazulu explained. Natural diamonds form deep inside the Earth under extreme pressure and temperature. Scientists later learned how to synthesize them in the lab, and eventually how to produce them without such intense conditions. Researchers believe superhydrides could follow a similar path.

“If we understand the physics well enough, we may be able to stabilize these structures at much lower pressures but still attain superconductivity close to room temperature,” Prakapenka said.

Experimental data from the APS will help guide theoretical models and AI tools in that search for new materials. Instead of testing only a few combinations at quite-challenging-to-reach extreme conditions, scientists can use AI to explore many possible multi-element compositions. They can then focus experiments on the most promising ones.

“The calculations are very demanding,” Prakapenka said. ​“Theorists rely on high-quality experimental data to make their predictions more accurate.”

Finding a material that superconducts at near room temperature and normal pressure could reshape the nation’s electrical infrastructure.

The research was supported by the DOE Office of Basic Energy Sciences, DOE National Nuclear Security Administration and the National Science Foundation. Contributors include Maddury Somayazulu, Russell Hemley, Vitali Prakapenka, Abdul Haseeb Manayil-Marathamkottil, Kui Wang, Nilesh Salke, Muhtar Ahart, Alexander Mark, Rostislav Hrubiak, Stella Chariton, Dean Smith and Nenad Velisavljevic.

This article was adapted from the UIC release.

About the Advanced Photon Source

The U. S. Department of Energy Office of Science’s Advanced Photon Source (APS) at Argonne National Laboratory is one of the world’s most productive X-ray light source facilities. The APS provides high-brightness X-ray beams to a diverse community of researchers in materials science, chemistry, condensed matter physics, the life and environmental sciences, and applied research. These X-rays are ideally suited for explorations of materials and biological structures; elemental distribution; chemical, magnetic, electronic states; and a wide range of technologically important engineering systems from batteries to fuel injector sprays, all of which are the foundations of our nation’s economic, technological, and physical well-being. Each year, more than 5,000 researchers use the APS to produce over 2,000 publications detailing impactful discoveries, and solve more vital biological protein structures than users of any other X-ray light source research facility. APS scientists and engineers innovate technology that is at the heart of advancing accelerator and light-source operations. This includes the insertion devices that produce extreme-brightness X-rays prized by researchers, lenses that focus the X-rays down to a few nanometers, instrumentation that maximizes the way the X-rays interact with samples being studied, and software that gathers and manages the massive quantity of data resulting from discovery research at the APS.

This research used resources of the Advanced Photon Source, a U.S. DOE Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357.

Argonne National Laboratory seeks solutions to pressing national problems in science and technology by conducting leading-edge basic and applied research in virtually every scientific discipline. Argonne is managed by UChicago Argonne, LLC for the U.S. Department of Energy’s Office of Science.

The U.S. Department of Energy’s Office of Science is the single largest supporter of basic research in the physical sciences in the United States and is working to address some of the most pressing challenges of our time. For more information, visit https://​ener​gy​.gov/​s​c​ience.




Did Impacts From Meteors Help Start Life on Earth? | Newswise


BYLINE: Kitta MacPherson

Newswise — Meteor impacts may have helped spark life on Earth, creating hot, chemical-rich environments where the first living cells could take shape, according to research integrated by a recent Rutgers University graduate.

“No one knows, from a scientific perspective, how life could have been formed from an early Earth that had no life,” said Shea Cinquemani, who earned her bachelor’s degree in marine biology and fisheries management from the Rutgers School of Environmental and Biological Sciences in May 2025. “How does something come from nothing?”

 Cinquemani is the lead author of a scientific review, published in the peer-reviewed Journal of Marine Science and Engineering, examining where life may have first formed on Earth. The paper focuses on hydrothermal vents, places where hot, mineral-rich water flows through rock and emerges into surrounding water, creating the chemical conditions and energy gradients needed for complex reactions.

 Her research points to hydrothermal systems created by meteor impacts as a potentially critical and underappreciated setting for the origin of life, strengthening the case beyond conventional deep-sea vent theories. Cinquemani said such systems would have been widespread on early Earth, making them especially compelling environments for life to begin.

 The paper, co-authored with Rutgers oceanographer Richard Lutz, marks a rare achievement for a recent undergraduate whose work began as a class assignment and was transformed into a publication in a highly respected scientific journal.

 “It’s amazing,” Lutz said. “You often have undergraduates that are part of papers – faculty choose undergraduates all the time to work on papers and projects. But for an undergraduate to be the lead author is a huge deal.” 

 The project started in the spring of Cinquemani’s senior year in a course called “Hydrothermal Vents,” taught by Lutz, a Distinguished Professor in the Department of Marine and Coastal Sciences. Cinquemani’s assignment was to examine whether hydrothermal vents on Mars could have been harbingers of life there.

 “I was like, ‘I know nothing about this topic,’” she said. “Thinking about the origins of biology on another planet was like, whoa. Not sure how I’m going to do this.” The topic went beyond her usual comfort zone of biology and extended into chemistry, physics and geology, she said.

 Cinquemani expanded the assignment after graduation into a full scientific review of both impact-generated and deep-sea vent systems, which was accepted after what Lutz described as a demanding peer-review evaluation.

 “I have never seen such a rigorous review process,” Lutz said. “There were 15 pages of comments and five different rounds of reviews. She had the patience and perseverance, and the paper turned out magnificently.”

 Deep-sea hydrothermal vents have long been considered a possible birthplace of life. Discovered in the deep ocean in the late 1970s, these systems host entire ecosystems that thrive without sunlight. Instead of photosynthesis, microbes use chemical energy from compounds released by vent fluids, such as hydrogen sulfide, in a process known as chemosynthesis.

 Some deep-sea vents are powered by heat from the Earth’s interior near volcanic activity while others are driven by chemical reactions between water and rock that generate heat without magma. This heat facilitates chemical processes and provides a warm oasis in the otherwise barren seafloor of the deep ocean. 

 Cinquemani’s paper places more focus on a different category that has recently begun gaining attention: hydrothermal systems created by meteor impacts.

 When a large meteor strikes Earth, the impact generates intense heat and melts surrounding rock. As the area cools and water fills the crater, a hot, mineral-rich environment can form, similar in some ways to deep-sea vents.

 “You have a lake surrounding a very, very warm center,” Cinquemani said. “And now you get a hydrothermal vent system, just like in the deep sea, but made by the heat from an impact.”

 To explore how these systems might support life, she examined research on three well-studied crater sites that span vastly different periods of Earth’s history. The oldest is the Chicxulub impact structure beneath Mexico’s Yucatán Peninsula, formed about 65 million years ago and later shown to have hosted a long-lived hydrothermal system. Next is the Haughton impact structure in the Canadian Arctic, formed about 31 million years ago. The youngest is Lonar Lake in India, created about 50,000 years ago, where the crater still contains water and offers clues about how these systems evolve over time.

 These impact-generated systems may last thousands to tens of thousands of years, giving simple molecules time to form more complex structures that could lead to life.

 Scientists say such environments may have been especially important on early Earth, which experienced frequent asteroid impacts. In that sense, events often seen as destructive also may have helped create the conditions for life.

 The idea builds on decades of research into deep-sea vents while expanding the search for life’s origins into new territory.

 Lutz helped explore these deep-sea environments several decades ago when they were still a scientific mystery. As a young postdoctoral researcher, he joined the first biological expedition to study hydrothermal vents and descended more than a mile beneath the ocean surface in the research deep-sea submersible Alvin, where he observed thriving communities of organisms in total darkness.

 Those dives helped open a new field of research and shaped scientists’ understanding of how life can exist in extreme environments without sunlight.

 “We have talked for many years about the possibility that life may have originated at deep-sea hydrothermal vents,” Lutz said.

 Cinquemani’s work brings together those long-standing ideas with newer evidence that impact-generated systems also could play a role and may in some cases offer favorable conditions for early chemical reactions.

 The implications extend beyond Earth. Hydrothermal activity is thought to exist on the ocean floors of icy moons such as Jupiter’s Europa and Saturn’s Enceladus, and may have existed in impact craters on young Mars. If these environments on Earth can support the chemistry of life, they could become key targets in the search for life elsewhere.

 For Cinquemani, the work is driven by curiosity.

 “Humans are insanely curious beings,” said Cinquemani, who works as a technician at Rutgers’ New Jersey Aquaculture Innovation Center in Cape May, N.J., where she supports aquaculture research while preparing to pursue advanced study in marine science. “We question everything. We may never know exactly how we began, but we can try our best to understand how things might have occurred.”

Explore more of the ways Rutgers research is shaping the future.




When Neutron Stars Collide, Neutrinos Change Flavors


The Science

Newswise — Neutron stars are among the densest objects in the universe. They are packed so tightly that a spoonful of their matter weighs more than a mountain. When two neutron stars collide, they release huge numbers of tiny particles called neutrinos. Neutrinos are fundamental particles that come in three types, or “flavors.” These flavors can change into one another as they travel, a process known as neutrino oscillation. This simulation shows that such changes affect the ratio of neutrons to protons in the matter thrown out of the crash. If the ejecta becomes richer in neutrons, it may produce more heavy elements such as gold and platinum.

The Impact

This work presents the first supercomputer simulations that include neutrino flavor transformations in neutron star mergers. The simulations show that as neutrinos change their flavor, neutron star mergers become an even more powerful factory for producing heavy elements, like gold. By influencing the mix of neutrons and protons, neutrinos play a hidden but vital role in shaping the origins of matter in the universe. The collisions also shake space itself. They create gravitational waves — ripples in the fabric of space and time that observatories on Earth can detect. Neutrinos changing their flavor in these collisions could also affect the gravitational waves resulting from the mergers. Adding neutrino oscillations to computer models will help scientists better analyze data from gravitational waves.

Summary

Neutron star mergers are key factories of heavy elements, via the rapid neutron capture process (the r-process). Neutrinos also play a central role in the production of heavy elements by setting the neutron-to-proton ratio in the matter these mergers eject. In this study, astrophysicists performed simulations in numerical relativity that included neutrino flavor mixing. This aspect had been neglected in most previous studies. The team employed a relaxation operator to model flavor equilibration, under different density thresholds, and compared these with the no-mixing case. They found that flavor mixing tends to reduce electron type neutrino abundances in low-density regions and make the ejecta more neutron rich.  In some cases, there is neutron enhancement by more than a factor of five. This change produces increases in the yields of heavy elements (lanthanide and heavier) by orders of magnitude, compared to simulations which neglect neutrino mixing. The results also demonstrate that neutrino flavor transformations can potentially alter observable signatures of neutron star mergers, such as gravitational waves.

Funding

This work was supported by the U.S. Department of Energy, Office of Science, Division of Nuclear Physics, National Science Foundation, and the Sloan Foundation. It used computational resources from the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility, as well as institutions’ supercomputing centers.


Journal Link: Physical Review Letters, 135 091401 (2025)




Quantum Magnetism: FSU Researchers Demonstrate Spin-Flip Process in Atomic Nucleus Does Not Account for All Magnetic Behavior | Newswise


Newswise — In the air people breathe, the water on the Earth, the stars in the sky and more, atoms are the building blocks that make up the universe. Understanding the structure of the atomic nucleus is crucial for research with implications for astrophysics and in applications such as medical imaging and data storage.

A new study conducted by Department of Physics researchers using the John D. Fox Superconducting Linear Accelerator Laboratory at Florida State University examined titanium-50 nuclei and showed that a long‑standing explanation for where magnetism in atomic nuclei comes from does not fully work for titanium‑50. The research, which was published in Physical Review Letters, suggests that scientists may need to rethink how they explain nuclear magnetism.

“What current models propose is that magnetic strength is largely generated by spin-flip excitations, that means when flipping proton or neutron spins from up to down between so-called spin-orbit partner orbitals,” said Associate Professor Mark Spieker, a co-author on the multi-institution study. “For the first time, we showed that this type of spin-flip cannot be the only mechanism that generates nuclear magnetism.”

How it works

Current nuclear models treat protons and neutrons as individual particles that can occupy fixed energy levels. A spin-flip occurs when these particles change the orientation of their spin as they jump between levels, generating magnetic strength in the process. For many years, scientists believed that this spin-flip mechanism was mainly responsible for magnetic strengths, or signals, in atomic nuclei. Advanced computer modeling also predicted this behavior.

The FSU experiments showed something unexpected: nuclear excited states that clearly showed this neutron spin-flip structure were not the ones producing the strongest magnetic signals. In other words, having more of this neutron “spin‑flip” structure did not automatically mean a stronger magnetic effect.

What they did

The researchers conducted a neutron-transfer experiment at the John D. Fox Superconducting Linear Accelerator Laboratory, using the facility’s Tandem Van de Graaff Accelerator to direct a deuteron — a nucleus made of a proton and a neutron — beam at a thin foil of titanium-49. During the reaction, the neutron from the beam was transferred to titanium-49, producing titanium-50 and leaving a residual proton.

Scientists used the Super-Enge Split-Pole Spectrograph at the Fox Lab to measure the different angles at which the proton was emitted in the reaction, allowing them to analyze how the neutron was transferred to titanium-49.

“You could say that the deuteron beam hits the titanium-49, transfers a neutron, and in this process kicks it up a set of stairs. Depending on the nucleus, that set of stairs looks very different,” Spieker said. “With the spectrograph, we can measure how high the different steps are. How high we get up the set of stairs depends on the excitation energy that we give to the nucleus.”

They combined their results with previously published electron- and proton-scattering data and with data from new photon-scattering experiments conducted at collaborating universities. By combining all these approaches, they were able to closely examine how neutrons flip their spin and how much those flips contribute to the nucleus’s overall magnetic behavior.

The researchers saw that the magnetic signal observed in their experiments was not of the same strength as models predicted — a sign that something else must be contributing to the magnetic signals they measured for titanium-50.

“Without combining all these data sets, the story cannot be stitched together cleanly,” said Bryan Kelly, a graduate student at FSU and study co-author. “Seeing the other magnetic excitations, that the other probes are sensitive to, allowed us to conclude that the spin-flip mechanism between spin-orbit partners is not the sole factor of magnetic strength generation.”

Why it matters and future directions

The study’s results challenge long-standing assumptions about the magnetic behavior of nuclei. Improving scientific understanding of the structure of atomic nuclei will refine current models used across nuclear physics and astrophysics and will help to link these with models used in high-energy physics. Such combined efforts between different fields of physics lead to a better understanding of the building blocks of ordinary matter that shape our universe.

“Developing a better understanding of the universe is exciting and fascinating on its own, and as we learn more, we can possibly apply these new insights to all sorts of new ideas,” Spieker said. “All ordinary matter is made of atomic nuclei, so the more we understand these ‘building blocks’ of nature, the more possibilities we have for what we can use them for to benefit society and drive progress.”

In future studies, the researchers plan to examine what accounts for the unexplained magnetism in titanium-50.

“This research showed that we cannot rely on magnetic strength measurements alone to understand excited states of nuclei,” Kelly said. “Magnetic strength is spread out across several nuclear states and understanding why will require further investigations of the nucleus.”

Acknowledgements

Researchers from Florida State University, the Technical University of Darmstadt in Germany and the Triangle Universities Nuclear Laboratory in North Carolina at Duke University contributed to this study.

This research was supported by the U.S. National Science Foundation, the U.S. Department of Energy Office of Science, the German Research Foundation, the Institute of Atomic Physics in Romania, the Romanian Ministry of Research and the Romanian Government.

 




NASA Awards Astrophysics Postdoctoral Fellowships for 2026 | Newswise


Newswise — The highly competitive NASA Hubble Fellowship Program (NHFP) recently named 24 new fellows to its 2026 class. The NHFP enables outstanding postdoctoral scientists to pursue independent research in any area of NASA Astrophysics, using theory, observations, simulations, experimentation, or instrument development. Over 650 applicants vied for the 2026 fellowships, representing an oversubscription rate of 27 to 1. Each fellowship provides the awardee up to three years of support at a U.S. institution.

Once selected, fellows are named to one of three sub-categories corresponding to three broad scientific questions that NASA seeks to answer about the universe:

  • How does the universe work? – Einstein Fellows
  • How did we get here? – Hubble Fellows
  • Are we alone? – Sagan Fellows

“The 2026 class of the NASA Hubble Fellowship Program is comprised of outstanding astrophysics researchers who will advance NASA’s pursuit of big questions about how the universe works, how it evolved over time, and whether we’re alone in it,” said Shawn Domagal-Goldman, Astrophysics Division director, NASA Headquarters, Washington. “Through their compelling research, and by sharing the products of that work with the broader community, this year’s fellows will once again play an important role in creating our future and in inspiring future generations of students to be a part of that future. These scientists across the country will enhance the impact of U.S. academic institutions and will further American leadership in space-based astrophysics research.”

The list below provides the names of the 2026 awardees, their fellowship host institutions, and their proposed research topics.

The 2026 NHFP Einstein Fellows are:

  • Hollis Akins, Princeton University, “Charting the Growth of the First Supermassive Black Holes through ‘Little Red Dots’”
  • Dhayaa Anbajagane, Stanford University, “Building a Multi-Probe Approach to Primordial Physics”
  • Hannah Gulick, California Institute of Technology, “Probing Compact Object Demographics with a New Generation of Space-Based Observatories”
  • Casey Lam, Carnegie Observatories, “A Portrait of Galactic Black Hole Demographics”
  • Benjamin Lehmann, Massachusetts Institute of Technology, “New Tools for Dark Matter Physics”
  • Sizheng Ma, Johns Hopkins University, “Listening Beyond the Ring: A New Paradigm for Black Hole Spectroscopy”
  • Megan Masterson, Harvard University, “The Dynamic Astronomical Sky as a Probe of Supermassive Black Holes”
  • Simona Miller, City University of New York, “Probing High-mass Binary Black Hole Formation and Fundamental Physics with the Remnants of our Cosmos’ Most Extreme Collisions”
  • Martijn Oei, Smithsonian Astrophysical Observatory, “The Widespread Impact of Megaparsec-scale Jets on the Cosmic Web”
  • Frank Qu, Stanford University, “Mapping Dark Matter and Baryons Across the Universe with the Cosmic Microwave Background”

The 2026 NHFP Hubble Fellows are:

  • James Beattie, Institute for Advanced Study, “The Glue Between the Stars: Unraveling Turbulence and Magnetism Across All Scales”
  • Vedant Chandra, Massachusetts Institute of Technology, “Dark Matter at the Threshold of Galaxy Formation”
  • Roman Gerasimov, University of Notre Dame, “New Frontiers in Galactic Archaeology”
  • Jared Goldberg, Columbia University, “Massive Stars, Inside and Out: Bridging 1D and 3D Models of Stars and Supernovae”
  • Vasily Kokorev, University of Texas at Austin, “The Cosmic Frontier: Uncovering Faint Galaxies that Ignited the Early Universe”
  • Konstantinos Kritos, Stony Brook University, “Unveiling the Mystery of Massive Black Hole Seeds Through Gravitational and Electromagnetic Waves”
  • Anna O’Grady, Carnegie Mellon University, “Stay Close to Go Far: Resolved Stellar Populations in Nearby Galaxies as Critical Benchmarks for Binary Evolution Models”
  • David Setton, Johns Hopkins University, “A Multi-Wavelength View of Quenching Across Cosmic Time”

The 2026 NHFP Sagan Fellows are:

  • Hayley Beltz, University of Kansas, “From Magnetic Fields to Measurable Signals: 3D MHD Modeling of Sub-Jovian Exoplanets”
  • Rachel Bowens-Rubin, Harvard University, “From Ice Giants to Exorings: New Frontiers in Exoplanet Characterization with JWST & Roman CGI Direct Imaging”
  • Collin Cherubim, University of Chicago, “Mass Fractionation in the Escaping Atmospheres of Small Planets, and the Hunt for Helium and Oxygen Worlds”
  • Arvind Gupta, University of Arizona, “Securing the Doppler Legacy in the Hunt for Earth-like Exoplanets”
  • Henrik Kneirim, California Institute of Technology, “Decoding the Formation of Extreme Giant Planets”
  • Samantha Scibelli, National Radio Astronomy Observatory, “Zooming in on Prebiotic Chemistry at the Earliest Stage of Low-mass Star and Planet Formation”

An important part of the NHFP is the annual symposium, which allows Fellows the opportunity to present results of their research, and to meet each other and the scientific and administrative staff who manage the program. The 2025 symposium was held at the Space Telescope Science Institute in Baltimore. Topics ranged from understanding the atmospheric chemistry of nearby, rocky planets with NASA’s James Webb Space Telescope to observations of some of the earliest galaxies in the universe, and mapping the expansion of our universe with the latest data releases from the Dark Energy Spectroscopic Instrument. 

More information about the 2026 NHFP Fellows is available online.

The Space Telescope Science Institute in Baltimore, Maryland, administers the NHFP on behalf of NASA, in collaboration with the Chandra X-ray Center at the Smithsonian Astrophysical Observatory in Cambridge, Massachusetts, and the NASA Exoplanet Science Institute and the Jet Propulsion Laboratory, in Pasadena, California.




A Strong Case for Weak Interactions


BYLINE: Michelle Alvarez

For Immediate Release_

March 23, 2026
Contact: Michelle Alvarez
malvarez@jlab.org

A Strong Case for Weak Interactions

Jefferson Lab physicist Ciprian Gal wins prestigious DOE award to search for cracks in physics’ best theory of the universe

Newswise — NEWPORT NEWS, VA – In fifth grade, Ciprian Gal received his physics textbook a year early. The book promised to explain everything, and young Gal believed it. “I was bragging to all my friends, look at this book. It tells you everything,” Gal said. “And I’m going to know everything about it.” Decades later, Gal, a staff scientist at the U.S. Department of Energy’s (DOE) Thomas Jefferson National Accelerator Facility, is still chasing answers. His work probing the fundamental forces that hold matter together earned him a DOE Office of Science Early Career Research Award. The five-year, $2.75 million award will fund personnel and research expenses related to Gal’s work on the Measurement of a Lepton-Lepton Electroweak Reaction (MOLLER) experiment. MOLLER aims to test whether the Standard Model of Particle Physics, scientists’ current best description of how particles interact, is actually complete. Measuring Weak Charge The Standard Model explains three of the four fundamental forces that govern the universe: electromagnetism, the strong force and the weak force. Gal’s research focuses on the measurement of the electron’s weak charge, a property that describes how electrons interact through the weak force. While physicists understand the weak force reasonably well, measuring its precise effects on electrons requires extraordinary precision. The MOLLER experiment will scatter electrons off other electrons in a hydrogen target. It will measure tiny differences in how they scatter depending on the electron’s spin direction. These differences are so tiny, estimated to be 35 parts per billion, that measuring them requires utmost accuracy and control over every aspect of the experiment. “It’s a precision measurement,” Gal said. “We need to know exactly what we’re measuring, down to very fine details.” The challenge extends beyond just taking measurements. Gal and his team must account for every possible source of uncertainty, from the quantum mechanics of how particles scatter to the precise geometry of their detector. Abhay Deshpande, who mentored Gal during his graduate studies at Stony Brook University and now collaborates with him on MOLLER, attributes this precision mindset to Gal’s fundamental approach to physics. “His penchant for precision and methodical approach makes him particularly suited to this exacting research,” said Deshpande, Brookhaven National Laboratory’s associate lab director for nuclear and particle physics and Stony Brook University distinguished professor of physics. The new measurements could indicate new particles or forces that physicists haven’t discovered yet. These deviations could help answer some of physics’ biggest mysteries: Why is there more matter than antimatter in the universe? What is dark matter made of? “Whether we confirm the Standard Model’s predictions or find something unexpected, this measurement will be a major step forward,” Gal said. “Either result will teach us something fundamental about how the universe works.” A Decade of Physics at Jefferson Lab Gal’s connection to Jefferson Lab began in 2014, long before he joined the staff. Immediately after earning his Ph.D., he came to the lab as a University of Virginia (UVA) postdoc, drawn by the facility’s unique capabilities for studying the internal structure of protons and neutrons. Over the next eight years, Gal worked at the lab through partnerships with UVA, Stony Brook University and Mississippi State University. Each position as a research assistant professor helped him develop his skills in precision measurements and experimental design. In 2023, he joined Jefferson Lab as a staff scientist in Experimental Halls A/C. Throughout his career, Gal worked closely with mentors who shaped his approach to physics and collaboration. “At this point, Cip is one of the leading mid-career experts on all things relevant to the MOLLER experiment,” said Krishna Kumar, a University of Massachusetts, Amherst professor of physics and MOLLER spokesperson. “As we pivot to data collection and physics analysis, I expect he will be one of the leaders of the team driving the analysis to accomplish the goals of the experiment.” For Gal, that leadership potential stems directly from his commitment to teamwork. “The research that I want to do and the things that I want to discover can’t be done without collaboration, not only with experimental and theoretical physicists here at the lab, but also at the universities,” Gal said.

Looking Forward The DOE Office of Science Early Career Research Program, established in 2010, supports outstanding scientists at a DOE national laboratory or Office of Science user facility within 12 years of having earned their doctorate degree across disciplines including nuclear physics. The program aims to support the vision, creativity and effort of early career faculty to drive innovation in the basic science enterprise. For Gal, the award provides resources and time to tackle MOLLER’s technical challenges and prepare for the experiment’s data collection phase. “Cip is a fantastic collaborator,” said Kumar. “He communicates effectively regardless of the audience, and the fact that he acknowledges the need for collaboration demonstrates his maturity and potential for leadership.” Beyond the immediate research, Gal sees the award as validation of his approach: combining precision measurement techniques with innovative detector design to push the boundaries of what physics can reveal about nature’s fundamental workings. It also validates something simpler: persistence. “I think for these very competitive awards, it matters a lot to be able to stand out, to have something that is unique on its own,” Gal said. He applied in 2024, received feedback, refined his proposal, and won on his second attempt in 2025. “Ciprian thrives on difficult tasks,” said Deshpande. “He understands not only the award’s value to his own career but, more importantly, the visibility this recognition brings to the MOLLER project and Jefferson Lab. His persistence therefore does not surprise me, and I am delighted by his success.” For researchers working at the frontier of nuclear physics, success often means spending years preparing for measurements that take only hours or days to complete. The payoff comes when those measurements reveal something unexpected, a crack in our understanding that points toward deeper truths. Gal’s work on MOLLER continues that tradition, using precision as a tool to probe whether the Standard Model tells the whole story or whether the universe has more secrets waiting to be discovered. For a scientist who once believed a single book could explain everything, the possibility of discovering something entirely new might be even better than having all the answers.

Further Reading

https://moller-docdb.physics.sunysb.edu/cgi-bin/DocDBTest/public/ShowDocument?docid=998

https://journals.aps.org/prc/abstract/10.1103/PhysRevC.109.024323

https://arxiv.org/abs/2411.10267

Contact: Michelle Alvarez, Jefferson Lab Communications Office, malvarez@jlab.org

-end-

Jefferson Science Associates, LLC, manages and operates the Thomas Jefferson National Accelerator Facility, or Jefferson Lab, for the U.S. Department of Energy’s Office of Science. JSA is a wholly owned subsidiary of the Southeastern Universities Research Association, Inc. (SURA).

DOE’s Office of Science is the single largest supporter of basic research in the physical sciences in the United States and is working to address some of the most pressing challenges of our time. For more information, visit




Satellite Radar Captures Hidden Dynamics of Arctic Eddies | Newswise


Newswise — The marginal ice zone marks the boundary between open ocean and sea-ice cover and represents one of the most dynamic environments in polar oceans. Ocean eddies generated near ice edges influence sea-ice transport, mixing processes, and energy exchange between the ocean and atmosphere. These rotating structures can redistribute floating sea ice, modify heat transport, and affect regional ecosystems and climate feedback mechanisms. However, direct observations of eddy evolution remain limited because of harsh polar conditions and sparse in-situ measurements. Satellite synthetic aperture radar (SAR) has become an important tool for detecting eddies through sea-ice patterns, yet most previous studies mainly analyzed spatial distributions rather than the dynamic evolution of individual eddies. Because of these challenges, deeper investigation of the spatiotemporal evolution of ice-edge eddies is required.

Researchers from the Aerospace Information Research Institute of the Chinese Academy of Sciences reported a new framework for analyzing the evolution of ice-edge eddies using sequential SAR satellite imagery. Their findings were published (DOI: 10.34133/remotesensing.1031) on March 2, 2026, in the journal Journal of Remote Sensing. The study focuses on an eddy observed in the Fram Strait, a key passage connecting the Arctic Ocean and the North Atlantic. By integrating sea-ice motion tracking with hydrodynamic vortex modeling, the researchers quantified key physical characteristics of the eddy, including rotational velocity, circulation strength, and radius, providing new insight into polar ocean dynamics.

The study introduces a dynamical parameter inversion framework capable of reconstructing the structure and temporal evolution of ice-edge eddies. Using sequential SAR images, the researchers tracked the displacement of floating sea ice to derive high-resolution surface current fields. These currents were then analyzed using a vortex-based hydrodynamic model to estimate key parameters such as suction intensity, angular velocity, and circulation strength.

Applying the framework to an Arctic eddy revealed a complete life cycle lasting about 22 days. During the early stage, the eddy gradually intensified as both its radius and circulation strength increased. The vortex reached a mature phase when its structure became most coherent and energetic. Afterward, the eddy weakened and gradually dissipated. The results demonstrate how polar ocean eddies evolve dynamically and provide quantitative evidence of their growth, maturity, and decay processes. The research focused on the Fram Strait, where complex interactions between the southward-flowing East Greenland Current and the northward-flowing West Svalbard Current frequently generate ocean eddies. Researchers analyzed time-series SAR images collected by the Sentinel-1A and Sentinel-1B satellites, which provide high-resolution radar observations capable of monitoring sea-ice patterns regardless of cloud cover or lighting conditions. To reconstruct eddy dynamics, the team first tracked the displacement of floating sea ice between consecutive SAR images separated by roughly 50 minutes, allowing them to retrieve the horizontal surface current field associated with the eddy. The retrieved currents were then processed using singular value decomposition to isolate the dominant rotational component while suppressing background currents and noise.

Next, the Burgers–Rott vortex model—derived from the Navier–Stokes equations—was applied to invert the dynamical parameters describing the eddy. Analysis showed that the eddy radius expanded from roughly 28 km to over 35 km, while circulation strength peaked at about 4.5 × 10⁴ m²/s. The reconstructed current fields closely matched satellite-derived observations, confirming the reliability of the proposed method for capturing real ocean dynamics.

The researchers emphasized that ice-edge eddies are crucial components of polar ocean circulation. “These eddies strongly influence sea-ice redistribution and ocean mixing in Arctic waters,” the team explained. By enabling continuous monitoring of eddy evolution using satellite radar imagery, the new framework provides a valuable observational tool for studying ocean–ice interactions and improving understanding of polar climate dynamics.

The framework integrates satellite remote sensing with physical modeling techniques. Sequential SAR images were first preprocessed through radiometric calibration, filtering, and image registration. The displacement of floating sea ice between image pairs was calculated using a maximum cross-correlation method to retrieve horizontal current vectors. Singular value decomposition was then applied to isolate the dominant eddy structure from the current field. Finally, a Burgers–Rott vortex model combined with a Levenberg–Marquardt optimization algorithm was used to invert the eddy’s key dynamical parameters, enabling quantitative analysis of its evolution.

The proposed approach opens new opportunities for monitoring ocean dynamics in polar environments using satellite observations. As high-resolution SAR datasets continue to expand, researchers will be able to track multiple eddies simultaneously and analyze their interactions with sea ice, ocean currents, and atmospheric forcing. Such insights could improve numerical models of Arctic circulation and enhance understanding of how polar oceans respond to climate change. In the future, combining satellite observations with oceanographic models and in-situ measurements may provide a more comprehensive picture of Arctic marine processes and their global impacts.

###

References

DOI

10.34133/remotesensing.1031

Original Souce URL

https://doi.org/10.34133/remotesensing.1031

Funding information

This work was supported by the National Natural Science Foundation of China (grant number 62231024).

About Journal of Remote Sensing

The Journal of Remote Sensing, an online-only Open Access journal published in association with AIR-CAS, promotes the theory, science, and technology of remote sensing, as well as interdisciplinary research within earth and information science.




AI Rebuilds Molecules From Exploding Fragments


BYLINE: Ula Chrobak

Read this story in the SLAC News Center

 

Newswise — Researchers at the Department of Energy’s SLAC National Accelerator Laboratory and collaborating institutions recently built a generative AI model that can recreate molecular structures from the movement of the molecule’s ions after they are blasted apart by X-rays, a technique called Coulomb explosion imaging.

The research, published in Nature Communications, is an important step toward being able to take snapshots of molecules during chemical reactions – an advance that could have important impacts in medicine and industry. The machine learning model closely predicted the geometries of a range of different molecules made of less than ten atoms, paving the way for applying the technique to larger molecules. “We were pretty excited about this,” said Xiang Li, an associate scientist at SLAC’s Linac Coherent Light Source (LCLS) and lead author of the study. “It is the first AI model built for molecular structure reconstruction from Coulomb explosion imaging.”

 

A new way to see molecules

Currently, there are limited options available for imaging isolated gas phase molecules. With electron microscopy, for example, subjects must be fixed in place, making it impossible to image free-floating molecules. And for diffraction-based techniques to work, the sample of molecules needs to be dense enough to generate a strong signal in the detector. The resulting image is technically an average of many molecules, restricting researchers from studying details only visible when imaging isolated molecules.

In the paper, the researchers instead focused on Coulomb explosion imaging. In this technique, an X-ray pulse hits a single molecule in a vacuum chamber, ripping off the molecule’s electrons. This leaves behind positive ions that explosively repel away from each other and smash into a detector. The detector captures their momentum, which can be used to reconstruct the structure of the molecule. “This technique has the ability to isolate minor details that are chemically relevant,” said James Cryan, LCLS interim deputy director for science, research and development, associate professor of photon science at SLAC and coauthor of the paper.

But this reconstruction process has so far been largely infeasible due to computing constraints. After the X-ray pulse strips away electrons, the remaining ions do not explode apart instantly. During this brief delay, the atoms can shift slightly, making it difficult to reconstruct the original structure using Coulombs law for electrostatic forces. “It will not be accurate because a simple use of that law only works if the charge-up process is instantaneous,” explained Li.

Making things even messier, every additional atom in the molecule adds an exponential level of complexity. “It’s very challenging to work backwards to get the original structure,” said co-author Phay Ho, a physicist with DOE’s Argonne National Laboratory. “It’s kind of like breaking a glass and trying to put it back together from how the pieces flew apart. Many problems in modern physics and chemistry involve reconstructing hidden structures from indirect measurements. This work demonstrates how AI can help tackle such inverse problems.”

 

Machine learning for molecular structures

The research team set out to build a machine learning model that could overcome this computing constraint. They developed and trained the model at SLAC’s Shared Science Data Facility (S3DF). Generative AI models are well-suited for the task because they “think” differently than a standard computer simulation. Instead of working through a series of equations, they learn by finding patterns in training data. Then, they use those patterns to make statistical predictions. 

To gather training data, the team turned to a simulation built by Ho. The simulation analyzes molecular structures and calculates the momentum of their ions following a Coulomb explosion. After running for over a month, the computing-intensive simulation, using both quantum mechanics and classical physics equations, produced a dataset of 76,000 molecular samples.

Initially, the researchers trained the AI on this dataset alone, which is small by AI-training standards, and they found the model predicted inaccurate structures from explosion data. So, they re-did the training, adding in another dataset derived using only classical physics. The second set was less precise but about 100 times larger than the first one.

This two-step training was the trick for predicting precise structures.

The researchers tested the AI model by prompting it to predict molecular structures in a portion of the simulation data it had not seen in training. The model, which the team named MOLEXA (short for “molecular structure reconstruction from Coulomb explosion imaging”), took the ion momenta and calculated the most likely structures. “We found that this two-step training process suppressed the prediction error by a factor of two,” said Li.

The team then tested MOLEXA with experimental datasets recorded at the Small Quantum Systems (SQS) instrument of the European X-ray Free-Electron Laser facility (European XFEL) in Germany. The molecules they tested included water, tetrafluoromethane and ethanol. They entered the experimental ion momenta into the model, reconstructed the molecular structures, and then compared the reconstructions to known structures listed by the National Institute of Standards and Technology.

They found the predictions largely overlapped with the established structures. Overall, the bonds were in the right spots, with only slight variations in their angles. The errors in position were generally less than half the length of a typical chemical bond. “The model is actually, most of the time, doing better than that,” added Li. “It is only a starting point for future research, which will not only improve model accuracy but also extend its applicability to larger molecular systems.”

 

Expanding to larger molecules and chemical reactions

The paper is a major step in advancing Coulomb explosion imaging, which has long been limited by the challenge of reconstructing molecular structures from experimental measurements. In future work, the researchers plan to scale up the number of atoms the machine learning model can piece back together and apply the model to time-resolved experiments at the LCLS and European XFEL. That will help researchers to reconstruct snapshots of molecules in motion, creating flip-book-like molecular movies with insights into how chemical reactions unfold. It will also help with the interpretation of data collected at the high X-ray pulse rates delivered by SLAC’s superconducting X-ray laser, Cryan said.

The team is also now testing the model’s ability to reconstruct molecules from incomplete data. Much of the time, the detector misses an ion produced in the Coulomb explosion. Li wants to know, for example: Can the AI still reconstruct an ethanol molecule if one or more of its hydrogen ions are not registered in the detector?

If these challenges are resolved, the technique could become more applicable in biology and chemistry research. Proteins, for instance, can consist of thousands of atoms. “That’s really the goal,” said Li. “We will be able to study systems that are more biologically or industrially relevant.”

The team also included researchers from the Stanford PULSE Institute; Stanford University; Kansas State University; European XFEL, Germany; the Max Planck Institute for Nuclear Physics, Germany; Fritz Haber Institute, Germany; and Sorbonne University, France. Large parts of this work were funded by the Department of Energy’s Office of Science. LCLS is an Office of Science user facility.

 

About SLAC

SLAC National Accelerator Laboratory explores how the universe works at the biggest, smallest and fastest scales and invents powerful tools used by researchers around the globe. As world leaders in ultrafast science and bold explorers of the physics of the universe, we forge new ground in understanding our origins and building a healthier and more sustainable future. Our discovery and innovation help develop new materials and chemical processes and open unprecedented views of the cosmos and life’s most delicate machinery. Building on more than 60 years of visionary research, we help shape the future by advancing areas such as quantum technology, scientific computing and the development of next-generation accelerators.

SLAC is operated by Stanford University for the U.S. Department of Energy’s Office of Science. The Office of Science is the single largest supporter of basic research in the physical sciences in the United States and is working to address some of the most pressing challenges of our time.