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DOE OSTI2025

Future of condensed matter physics for the next 10 years

This perspective outlines a selection of research directions that members of the JPCM editorial board anticipate may shape the frontier of condensed matter physics over the next decade. Rather than a comprehensive review or formal roadmap, this perspective reflects a set of informed views drawn from diverse areas of expertise. Our intention is to spark curiosity, provoke discussion, and encourage readers to imagine—and pursue—the exciting possibilities that lie ahead.

chemical physics↗

DOE OSTI2022

Simulation of hydropower at subcontinental to global scales: a state-of-the-art review

Abstract Hydroelectric power is playing a new and often expanded role in the world’s major power grids, offering low carbon generating capacity in industrializing, dam-building economies while providing reserve and flexibility to co-manage fledgling wind and solar resources in high income countries. Driven by river flows, conventional hydropower is exposed to the vagaries of weather and climate, motivating drought and climate change hydropower impact studies at large spatial scales. Here we review methods of climate-driven hydropower simulation at large spatial scales, specifically multi-basin regions to global. We identify four types of approach based on complexity of tools and richness of data applied to the problem. Since the earliest attempts to model climate-driven hydropower at continental scale almost two decades ago, the field has transitioned from one of scientific curiosity to practical application, with studies increasingly motivated by the need to inform power grid expansion planning and operation. As the hydrological and water management models used in large-scale hydropower studies become more sophisticated, new opportunities will emerge to study the impacts of changing hydropower on power system reliability and performance at large power grid scale. To grasp these opportunities, the water resources community must continue to enhance data and models for representing river flows and anthropogenic water use and management at subcontinental to global scales.

13 HYDRO ENERGY↗

DOE OSTI2018

Quantum reversibility is relative, or does a quantum measurement reset initial conditions?

I compare the role of the information in classical and quantum dynamics by examining the relation between information flows in measurements and the ability of observers to reverse evolutions. I show that in the Newtonian dynamics reversibility is unaffected by the observer’s retention of the information about the measurement outcome. By contrast—even though quantum dynamics is unitary, hence, reversible—reversing quantum evolution that led to a measurement becomes, in principle, impossible for an observer who keeps the record of its outcome. Thus, quantum irreversibility can result from the information gain rather than just its loss—rather than just an increase of the (von Neumann) entropy. Recording of the outcome of the measurement resets, in effect, initial conditions within the observer’s (branch of) the Universe. Nevertheless, I also show that the observer’s friend—an agent who knows what measurement was successfully carried out and can confirm that the observer knows the outcome but resists his curiosity and does not find out the result—can, in principle, undo the measurement. This relativity of quantum reversibility sheds new light on the origin of the arrow of time and elucidates the role of information in classical and quantum physics. In conclusion, quantum discord appears as a natural measure of the extent to which dissemination of information about the outcome affects the ability to reverse the measurement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Dyson maps and unitary evolution for Maxwell equations in tensor dielectric media

The propagation and scattering of electromagnetic waves in dielectric media is of theoretical and experimental interest in a wide variety of fields. An understanding of observational results generally requires a numerical solution of Maxwell equations—usually implemented on conventional computers using sophisticated numerical algorithms. In recent years, advances in quantum information science and in the development of quantum computers have piqued curiosity about taking advantage of these resources for an alternate numerical approach to Maxwell equations. This requires a reformulation of the classical Maxwell equations into a form suitable for quantum computers which, unlike conventional computers, are limited to unitary operations. In this paper, a unitary framework is developed for the propagation of electromagnetic waves in a spatially inhomogeneous, passive, nondispersive, and anisotropic dielectric medium. For such a medium, generally, the evolution operator in the combined Faraday-Ampere equations is not unitary. There are two steps needed to convert this equation into a unitary evolution equation. In the first step, a weighted Hilbert space is formulated in which the generator of dynamics is a pseudo-Hermitian operator. In the second step, a Dyson map is constructed which maps the weighted-physical-Hilbert space to the original Hilbert space. Furthermore, the resulting evolution equation for the electromagnetic wave fields is unitary. Utilizing the framework developed in these steps, a unitary evolution equation is derived for electromagnetic wave propagation in a uniaxial dielectric medium. The resulting form is suitable for quantum computing.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

The first X-ray diffraction measurements on Mars

The Mars Science Laboratory landed in Gale crater on Mars in August 2012, and the Curiosity rover then began field studies on its drive toward Mount Sharp, a central peak made of ancient sediments. CheMin is one of ten instruments on or inside the rover, all designed to provide detailed information on the rocks, soils and atmosphere in this region. CheMin is a miniaturized X-ray diffraction/X-ray fluorescence (XRD/XRF) instrument that uses transmission geometry with an energy-discriminating CCD detector. CheMin uses onboard standards for XRD and XRF calibration, and beryl:quartz mixtures constitute the primary XRD standards. Four samples have been analysed by CheMin, namely a soil sample, two samples drilled from mudstones and a sample drilled from a sandstone. Rietveld and full-pattern analysis of the XRD data reveal a complex mineralogy, with contributions from parent igneous rocks, amorphous components and several minerals relating to aqueous alteration. In particular, the mudstone samples all contain one or more phyllosilicates consistent with alteration in liquid water. In addition to quantitative mineralogy, Rietveld refinements also provide unit-cell parameters for the major phases, which can be used to infer the chemical compositions of individual minerals and, by difference, the composition of the amorphous component.

Chemistry↗

DOE OSTI2016

Applying the Scientific Method of Cybersecurity Research

The cyber environment has rapidly evolved from a curiosity to an essential component of the contemporary world. As the cyber environment has expanded and become more complex, so have the nature of adversaries and styles of attacks. Today, cyber incidents are an expected part of life. As a result, cybersecurity research emerged to address adversarial attacks interfering with or preventing normal cyber activities. Historical response to cybersecurity attacks is heavily skewed to tactical responses with an emphasis on rapid recovery. While threat mitigation is important and can be time critical, a knowledge gap exists with respect to developing the science of cybersecurity. Such a science will enable the development and testing of theories that lead to understanding the broad sweep of cyber threats and the ability to assess trade-offs in sustaining network missions while mitigating attacks. The Asymmetric Resilient Cybersecurity Initiative at Pacific Northwest National Laboratory is a multi-year, multi-million dollar investment to develop approaches for shifting the advantage to the defender and sustaining the operability of systems under attack. The initiative established a Science Council to focus attention on the research process for cybersecurity. The Council shares science practices, critiques research plans, and aids in documenting and reporting reproducible research results. The Council members represent ecology, economics, statistics, physics, computational chemistry, microbiology and genetics, and geochemistry. This paper reports the initial work of the Science Council to implement the scientific method in cybersecurity research. The second section describes the scientific method. The third section in this paper discusses scientific practices for cybersecurity research. Section four describes initial impacts of applying the science practices to cybersecurity research.

Tardiff, Mark F.↗

DOE OSTI2017

Basalt-trachybasalt samples in Gale Crater, Mars

The ChemCam instrument on the Mars Science Laboratory (MSL) rover, Curiosity, observed numerous igneous float rocks and conglomerate clasts, reported previously. A new statistical analysis of single-laser-shot spectra of igneous targets observed by ChemCam shows a strong peak at ~55 wt% SiO 2 and 6 wt% total alkalis, with a minor secondary maximum at 47–51 wt% SiO 2 and lower alkali content. The centers of these distributions, together with the rock textures, indicate that many of the ChemCam igneous targets are trachybasalts, Mg# = 27 but with a secondary concentration of basaltic material, with a focus of compositions around Mg# = 54. We suggest that all of these igneous rocks resulted from low-pressure, olivine-dominated fractionation of Adirondack (MER) class-type basalt compositions. This magmatism has subalkaline, tholeiitic affinities. The similarity of the basalt endmember to much of the Gale sediment compositions in the first 1000 sols of the MSL mission suggests that this type of Fe-rich, relatively low-Mg#, olivine tholeiite is the dominant constituent of the Gale catchment that is the source material for the fine-grained sediments in Gale. The similarity to many Gusev igneous compositions suggests that it is a major constituent of ancient Martian magmas, and distinct from the shergottite parental melts thought to be associated with Tharsis and the Northern Lowlands. Finally, the Gale Crater catchment sampled a mixture of this tholeiitic basalt along with alkaline igneous material, together giving some analogies to terrestrial intraplate magmatic provinces.

58 GEOSCIENCES↗

DOE OSTI2025

Simulating evaporative wet and dry cycles in Gale crater, Mars using thermochemical modeling techniques

The aim of this work is to provide a model‐backed hypothesis for the formation of evaporites—sulfates, borates—in Gale crater using thermochemical modeling to determine constraints on their formation. We test the hypothesis that primary evaporites required multiple wet–dry cycles to form, akin to how evaporite assemblages form on Earth. Starting with a basalt‐equilibrated Mars fluid, Mars‐relevant concentrations of B and Li were added, and then equilibrated with Gale lacustrine bedrock. We simulated the cycles of evaporation followed by groundwater recharge/dilution to establish an approximate minimum number of wet–dry cycles required to form primary evaporites. We determine that a minimum of 250 wet–dry cycles may be required to start forming primary evaporites that consist of borates and Ca‐sulfates. We estimate that ~14,250 annual cycles (~25.6 k Earth years) of wet and dry periods may form primary borates and Ca‐sulfates in Gale crater. These primary evaporites could have been remobilized during secondary diagenesis to form the veins that the Curiosity rover observes in Gale crater. No Li salts form after 14,250 cycles modeled for the Gale‐relevant scenario (approximately 10 6 cycles would be needed) which implies Li may be leftover in a groundwater brine after the time of the lake. No major deposits of borates are observed to date in Gale crater which also implies that B may be leftover in the subsequent groundwater brine that formed after evaporites were remobilized into Ca‐sulfate veins.

58 GEOSCIENCES↗

DOE OSTI2017

Shaler: in situ analysis of a fluvial sedimentary deposit on Mars

This article characterizes the detailed sedimentology of a fluvial sandbody on Mars for the first time and interprets its depositional processes and palaeoenvironmental setting. Despite numerous orbital observations of fluvial landforms on the surface of Mars, ground-based characterization of the sedimentology of such fluvial deposits has not previously been possible. Results from the NASA Mars Science Laboratory Curiosity rover provide an opportunity to reconstruct at fine scale the sedimentary architecture and palaeomorphology of a fluvial environment on Mars. This work describes the grain size, texture and sedimentary facies of the Shaler outcrop, reconstructs the bedding architecture, and analyses cross-stratification to determine palaeocurrents. On the basis of bedset geometry and inclination, grain-size distribution and bedform migration direction, this study concludes that the Shaler outcrop probably records the accretion of a fluvial barform. The majority of the outcrop consists of large-scale trough cross-bedding of coarse sand and granules. Palaeocurrent analyses and bedform reconstruction indicate that the beds were deposited by bedforms that migrated towards the north-east, across the surface of a bar that migrated south-east. Stacked cosets of dune cross-bedding suggest aggradation of multiple bedforms, which provides evidence for short periods of sustained flow during Shaler deposition. However, local evidence for aeolian reworking and the presence of potential desiccation cracks within the outcrop suggest that fluvial deposition may have been intermittent. The uppermost strata at Shaler are distinct in terms of texture and chemistry and are inferred to record deposition from a different sediment dispersal system with a contrasting provenance. The outcrop as a whole is a testament to the availability of liquid water on the surface of Mars in its early history.

58 GEOSCIENCES↗

DOE OSTI2013

MR-guided focused ultrasound surgery, present and future

MR-guided focused ultrasound surgery (MRgFUS) is a quickly developing technology with potential applications across a spectrum of indications traditionally within the domain of radiation oncology. Especially for applications where focal treatment is the preferred technique (for example, radiosurgery), MRgFUS has the potential to be a disruptive technology that could shift traditional patterns of care. While currently cleared in the United States for the noninvasive treatment of uterine fibroids and bone metastases, a wide range of clinical trials are currently underway, and the number of publications describing advances in MRgFUS is increasing. However, for MRgFUS to make the transition from a research curiosity to a clinical standard of care, a variety of challenges, technical, financial, clinical, and practical, must be overcome. This installment of the Vision 20/20 series examines the current status of MRgFUS, focusing on the hurdles the technology faces before it can cross over from a research technique to a standard fixture in the clinic. It then reviews current and near-term technical developments which may overcome these hurdles and allow MRgFUS to break through into clinical practice.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2014

SU-E-E-06: Teaching Medical Physics in a Radiology Museum

Purpose: To enhance the learning process in the teaching of medical physics by providing a venue to experience the historical equipment and devices of radiology. Methods: We have created a museum by assembling a large collection of equipment and artifacts related to radiology and medical physics. As part of a learning-in-context educational approach, classes for a survey course in medical physics are held in the museum so that students are able to visually and tangibly experience the implements of radiology, while related topics are discussed. The students learn how x-ray equipment and techniques evolved throughout the years and they learn to appreciate the differences and similarities between current x-ray technology and that of the early days. The collection contains items dating from the era of the discovery of x-rays up to recent times and includes gas x-ray tubes, hand-held fluoroscopes, generators, spark-gap kV meters, stereoscopes, glass-plate radiographs, a photofluorographic unit, wood-interspaced grid, flat-panel detector, linear-accelerator klystron, and brachytherapy radium applicators, as well as an extensive library containing some of the seminal literature of the field so that students can delve deeper into the technology. In addition to the classes, guided tours are provided for radiologic-technology, bioengineering, physics and medical students, as well as group and individual tours for the general public. Results: Student course assessments have consistently included positive expressions of their experience in the museum. Numerous students have volunteered to assist with display preparation and have learned by researching the content. Many individuals have been attracted on a walk-in basis and have expressed a deep curiosity in the technology, with positive feedback. Conclusion: The museum and its artifacts have been invaluable in stimulating interest in the history and technology of medical physics. Students and visitors alike obtain a deeper appreciation of the contribution physics has made to medicine.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2025

Wave ripples formed in ancient, ice-free lakes in Gale crater, Mars

Symmetrical wave ripples identified with NASA’s Curiosity rover in ancient lake deposits at Gale crater provide a key paleoclimate constraint for early Mars: At the time of ripple formation, climate conditions must have supported ice-free liquid water on the surface of Mars. These features are the most definitive examples of wave ripples on another planet. The ripples occur in two stratigraphic intervals within the orbitally defined Layered Sulfate Unit: a thin but laterally extensive unit at the base of the Amapari member of the Mirador formation, and a sandstone lens within the Contigo member of the Mirador formation. In both locations, the ripples have an average wavelength of ~4.5 centimeters. Internal laminae and ripple morphology show an architecture common in wave-influenced environments where wind-generated surface gravity waves mobilize bottom sediment in oscillatory flows. Their presence suggests formation in a shallow-water (<2 meters) setting that was open to the atmosphere, which requires atmospheric conditions that allow stable surface water.

Science & Technology - Other Topics↗

DOE OSTI2024

Peter Higgs (1929–2024)

Peter Ware Higgs, a particle physics icon, died on 8 April at the age of 94. Higgs illuminated the path to understanding how exact symmetries obeyed by the laws of nature might be masked by an asymmetric ground state that is an outcome of symmetrical laws. In 1964, he posited that a field filling all of space could be the agent that hides the underlying symmetries of the fundamental interactions. Additionally, when excited, the field reveals itself as a massive unstable particle. In the context of a joint theory of electromagnetism and the weak interaction, that particle—popularly called the Higgs boson—emerged as the keystone of the standard model of particle physics. The decades-long search for the boson engaged the passion of thousands of scientists and engineers and stirred the curiosity of the public the world over.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Desiccation cracks provide evidence of lake drying on Mars, Sutton Island member, Murray formation, Gale Crater

Mars Science Laboratory (MSL) Curiosity rover data are used to describe the morphology of desiccation cracks observed in ancient lacustrine strata at Gale crater, Mars, and to interpret their paleoenvironmental setting. The desiccation cracks indicate subaerial exposure of lacustrine facies in the Sutton Island member of the Murray formation. In association with ripple cross-stratification and possible eolian cross-bedding, these facies indicate a transition from longer-lived perennial lakes recorded by older strata to younger lakes characterized by intermittent exposure. The transition from perennial to episodically exposed lacustrine environments provides evidence for local to regional climate change that can help constrain Mars climate models.

58 GEOSCIENCES↗

DOE OSTI2022

Multirobot Collaborative Pursuit Target Robot by Improved MADDPG

Policy formulation is one of the main problems in multirobot systems, especially in multirobot pursuit-evasion scenarios, where both sparse rewards and random environment changes bring great difficulties to find better strategy. Existing multirobot decision-making methods mostly use environmental rewards to promote robots to complete the target task that cannot achieve good results. This paper proposes a multirobot pursuit method based on improved multiagent deep deterministic policy gradient (MADDPG), which solves the problem of sparse rewards in multirobot pursuit-evasion scenarios by combining the intrinsic reward and the external environment. The state similarity module based on the threshold constraint is as a part of the intrinsic reward signal output by the intrinsic curiosity module, which is used to balance overexploration and insufficient exploration, so that the agent can use the intrinsic reward more effectively to learn better strategies. The simulation experiment results show that the proposed method can improve the reward value of robots and the success rate of the pursuit task significantly. The intuitive change is obviously reflected in the real-time distance between the pursuer and the escapee, the pursuer using the improved algorithm for training can get closer to the escapee more quickly, and the average following distance also decreases.

Zhou, Xiao↗

DOE OSTI2022

PyTREES

PyTREES (Python tool for Training/Testing Robust Explainable Ensembles on Spectra) is software that implements a data-driven approach to predicting the amount of specific oxides present in materials samples of laser-induced breakdown spectroscopy (LIBS); such as from the ChemCam instrument suite onboard the NASA Curiosity rover. PyTREES is designed to input LIBS data in the format provided by the ChemCam team [1]. PyTREES then applies appropriate pre-processing to this data [2], and implements several regression methods for predicting oxides from spectra. The regression methods include: ensemble methods (random forest, extra trees, and gradient boosting regression) and blended submodels using the “double blending” technique. PyTREES additionally implements methods for quantifying the importance of features in regression model: (1) mean decrease in impurity (MDI) and (2) permutation importance to investigate the wavelengths used by the regression methods. [1] Gasda et al. (2021). Spectrochim Acta B, 181, 106223. [2] Clegg et al. (2017). Spectrochim Acta B , 129, 64–85.

Oyen, Diane↗

DOE OSTI2019

Large Aperture and Wedged Multilayer Laue Lens for X-ray Nanofocusing

Diffraction optics fabricated from multilayers offer an intriguing alternative to lithography-based zone plates due to their advantages of virtually limitless aspect ratio and extremely small feature size. However, other issues, intrinsic to thin-film deposition, such as film stress and deposition rate instability, for example, limit the total achievable aperture. Over the last decade, Multilayer Laue Lens (MLLs) have progressed from a mere curiosity with initial aperture sizes in the 3–10 μm range, to real beamline-deployed optics with apertures in the 40–50 μm range (X. Huang, et al., Scientific Reports 3, 3562 (2013); E. Nazaretski, et al., Rev. Sci. Instrum. 85, 033707 (2014); E. Nazaretski, et al., Journal of Synchrotron Radiation 24, 1113 (2017)). By optimizing deposition conditions and incorporating new materials, MLLs have now broken the 100 μm thickness milestone. A flat WSi 2 /Al–Si MLL with a deposition thickness of 102 μm, the largest MLL to date, is reviewed. New large aperture wedged MLLs (wMLL), which were first fabricated by APS in 2006 using the WSi 2 /Si material system, are presented which demonstrate high focusing efficiency across a broad energy range. Furthermore, these results confirm findings by other groups who have also independently fabricated wMLL (A. J. Morgan, et al., Scientific Reports 5, 9892 (2015); S. Bajt, et al., Nature Light: Science and Applications 7, 17162 (2017)) based on a similar material system.

47 OTHER INSTRUMENTATION↗

DOE OSTI2016

Using the sound of nuclear energy

The generation of sound by heat has been documented as an “acoustical curiosity” since a Buddhist monk reported the loud tone generated by a ceremonial rice-cooker in his diary, in 1568. Over the last four decades, significant progress has been made in understanding “thermoacoustic processes,” enabling the design of thermoacoustic engines and refrigerators. Motivated by the Fukushima nuclear reactor disaster, we have developed and tested a thermoacoustic engine that exploits the energy-rich conditions in the core of a nuclear reactor to provide core condition information to the operators without a need for external electrical power. The heat engine is self-powered and can wirelessly transmit the temperature and reactor power level by generation of a pure tone which can be detected outside the reactor. We report here the first use of a fission-powered thermoacoustic engine capable of serving as a performance and safety sensor in the core of a research reactor and present data from the hydrophones in the coolant (far from the core) and an accelerometer attached to a structure outside the reactor. These measurements confirmed that the frequency of the sound produced indicates the reactor’s coolant temperature and that the amplitude (above an onset threshold) is related to the reactor’s operating power level. Furthermore, these signals can be detected even in the presence of substantial background noise generated by the reactor’s fluid pumps.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗