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At least 793 records · Page 44

Advanced Mixed-Mode Pixel Array Detector for X-rays Above 20 keV (Final Report)

The objective of the work reported upon was to perform research and development and test advanced prototype imaging x-ray detectors needed to meet pressing scientific research needs at U.S. x-ray synchrotron user facilities. The high x-ray brightness of the Nation’s x-ray synchrotron sources in the DOE National Laboratories holds promise to advance science and technology in a broad range of fundamental and applied disciplines, including physics, chemistry, biomedical areas and engineering. At present, progress in many areas is being limited not by the x-ray source but by the lack of imaging x-ray detectors capable of meeting experimental needs. Specifically, there is pressing need for imaging detectors with high dynamic range, low noise, high frame rates and the ability to capture x-ray images with x-rays of energy > 20 keV. This Final Technical Report summarizes progress made at Cornell University on novel integrating x-ray detectors that address these characteristics.

36 MATERIALS SCIENCE↗

Recovery and Refining of Rare Earth Elements from Lignite Mine Wastes

The University of North Dakota (UND), in collaboration with a comprehensive team of technical, business and host-site partners, built on prior technology development to complete a front-end engineering and design (FEED) and business planning study to recover and refine rare earth elements (REE) and critical minerals (CM) from North Dakota (ND) lignite mine wastes. The end of project goal was to have an investment quality project and a committed team ready to commercialize the proposed technologies in a future construction and operations phase.

01 COAL, LIGNITE, AND PEAT↗

All-optical image denoising using a diffractive visual processor

Abstract Image denoising, one of the essential inverse problems, targets to remove noise/artifacts from input images. In general, digital image denoising algorithms, executed on computers, present latency due to several iterations implemented in, e.g., graphics processing units (GPUs). While deep learning-enabled methods can operate non-iteratively, they also introduce latency and impose a significant computational burden, leading to increased power consumption. Here, we introduce an analog diffractive image denoiser to all-optically and non-iteratively clean various forms of noise and artifacts from input images – implemented at the speed of light propagation within a thin diffractive visual processor that axially spans <250 × λ, where λ is the wavelength of light. This all-optical image denoiser comprises passive transmissive layers optimized using deep learning to physically scatter the optical modes that represent various noise features, causing them to miss the output image Field-of-View (FoV) while retaining the object features of interest. Our results show that these diffractive denoisers can efficiently remove salt and pepper noise and image rendering-related spatial artifacts from input phase or intensity images while achieving an output power efficiency of ~30–40%. We experimentally demonstrated the effectiveness of this analog denoiser architecture using a 3D-printed diffractive visual processor operating at the terahertz spectrum. Owing to their speed, power-efficiency, and minimal computational overhead, all-optical diffractive denoisers can be transformative for various image display and projection systems, including, e.g., holographic displays.

36 MATERIALS SCIENCE↗

Suppressing Charged Cation Antisites via Se Vapor Annealing Enables p-Type Dopability in AgBiSe 2 –SnSe Thermoelectrics

Cation disordering is commonly found in multinary cubic compounds, but its effect on electronic properties has been neglected because of difficulties in determining the ordered structure and defect energetics. An absence of rational understanding of the point defects present has led to poor reproducibility and uncontrolled conduction type. AgBiSe 2 is a representative compound that suffers from poor reproducibility of thermoelectric properties, while the origins of its intrinsic n-type conductivity remain speculative. Here, it is demonstrated that cation disordering is facilitated by Bi Ag charged antisite defects in cubic AgBiSe 2 which also act as a principal donor defect that greatly controls the electronic properties. Using density functional theory calculations and in situ Raman spectroscopy, how saturation annealing with selenium vapor can stabilize p-type conductivity in cubic AgBiSe 2 alloyed with SnSe at high temperatures is elucidated. With stable and controlled hole concentration, a peak is observed in the weighted mobility and the density-of-states effective mass in AgBiSnSe 3 , implying an increased valley degeneracy in this system. These findings corroborate the importance of considering the defect energetics for exploring the dopability of ternary thermoelectric chalcogenides and engineering electronic bands by controlling self-doping.

36 MATERIALS SCIENCE↗

One-pot ternary sequential reactions for photopatterned gradient multimaterials

Seamless multimaterial construction is a common motif in animal physiology. Such continuous mechanical gradients remain challenging to reproduce in engineered systems, as current resin chemistries typically result in a single fixed set of properties. As an alternative to single-property materials, we introduce a thiol-ene-epoxy-based photothermal reaction scheme that produces multimaterials by altering the polymer microstructure within a single resin. In this system, the photodosage during the first stage of processing dictates the extent of conversion for each subsequent reaction. As a result, our photochemistry can exhibit a diverse range of soft (Young’s modulus, E ~ 400 kPa; elongation, dL/L0 ~ 300%) and stiff (E ~ 1.6 GPa; dL/L 0 ~ 3%) mechanical properties. Furthermore, we pattern photostable and mechanically robust modulus gradients (d[E r, stiff /E r , soft] /dx > 1,000 mm -1 ) that exceed those found in squid beaks and human knee entheses. We demonstrate the ability to build intricate multimaterial architectures including a soft, wearable braille display.

36 MATERIALS SCIENCE↗

Constraining gas motion and non-thermal pressure beyond the core of the Abell 2029 galaxy cluster with XRISM

We report on a detailed spectroscopic study of the gas dynamics and hydrostatic mass bias of the galaxy cluster Abell 2029, utilizing high-resolution observations from XRISM Resolve. Abell 2029, known for its cool core and relaxed X-ray morphology, provides an excellent opportunity to investigate the influence of gas motions beyond the central region. Expanding upon prior studies that revealed low turbulence and bulk motions within the core, our analysis covers regions out to the scale radius $R_{2500}$ (670 kpc) based on three radial pointings extending from the cluster center toward the northern side. We obtain accurate measurements of bulk and turbulent velocities along the line of sight. The results indicate that non-thermal pressure accounts for no more than 2% of the total pressure at all radii, with a gradual decrease outward. The observed radial trend differs from many numerical simulations, which often predict an increase in non-thermal pressure fraction at larger radii. These findings suggest that deviations from hydrostatic equilibrium are small, leading to a hydrostatic mass bias of around 2% across the observed area.

X-rays: galaxies: clusters↗

Tailoring Cementitious Materials Towards Value-Added Use of Large CO 2 Volumes

Hydraulic cements with alternative chemistries were developed for large-volume and value-added use of carbon dioxide. The hydraulic cements were processed using the energy-efficient mechanochemical technique at room temperature and atmospheric pressure. Carbon dioxide was captured directly from combustion emissions during processing. For this purpose, mechanochemical processing of hydraulic cements was accomplished under a flow of combustion emissions prior to the release of emissions to the atmosphere. The process removed a significant fraction of carbon dioxide from combustion emissions. The hydraulic cements captured carbon dioxide at about 10% of their weight. Two hydraulic cement chemistries were developed, and their mechanochemical processing was successfully scaled-up. The characteristic feature of one chemistry was its relatively low (near-neutral) pH where the integration of carbon dioxide yielded clear value. The second cement chemistry was based on alkali activation of industrial wastes. This chemistry could make value-added use of carbon dioxide, but it had to be refined to control the pH drop caused by CO 2 integration. These two cements render binding effects upon hydration by forming a combination of stable carbonates and aluminosilicates or phosphates. Efforts to develop cement chemistries based solely on carbonates were not successful. The mechanochemical process was found to integrate carbon dioxide into the alternative cement chemistries in the form of disordered and metastable carbonates. During hydration reactions, the disordered/metastable carbonates are either transformed into stable carbonate phases with desired binding efforts, or carbonates get integrated into the primary inorganic binders (hydrates). When compared with mechanochemical processing in pure carbon dioxide, mechanochemical processing in combustion emissions produced hydraulic cements with improved engineering properties. The mechanochemical process was scaled-up, and its variables as well as the raw materials formulations were optimized for implementation at pilot scale. Scale-up was found to enhance the carbon capture potential and the engineering qualities of the resulting hydraulic cements. This was because scale-up raises the intensity of mechanical energy input to raw materials. Certain mechanochemical phenomena cannot be induced, irrespective of the cumulative mechanical energy input, unless the intensity of impact is raised above a minimum level that cannot be achieved in laboratory-scale implementation of the process. Due to this effect, the duration of the mechanochemical process as well as its energy demand could be reduced significantly (by an order of magnitude) upon transition from laboratory to pilot scale, with the hydraulic cements produced at pilot scale offering engineering properties that were superior to those realized in laboratory-scale mechanochemical processing. The hydraulic cements produced at pilot scale via mechanochemical processing under a flow of combustion emissions were thoroughly characterized. They were found to meet standard requirements for ‘General Use’ hydraulic cements. They were compatible with the industrial-scale concrete production and construction practices that are used with the currently prevalent hydraulic cements. The new hydraulic cements with integrated carbon dioxide were found to offer distinct advantages over the currently prevalent Portland cement in terms of net carbon footprint and energy content. The combined raw materials and energy costs of the new hydraulic cements are competitive, and major cost savings can be realized because of the simplified production process that significantly lowers the capital investment in cement production plants. Mechanochemical processing of the new hydraulic cements under a flow of combustion emissions can be implemented using some existing components of cement manufacturing plants; this facilitates adoption of the technology by the cement industry.

36 MATERIALS SCIENCE↗

Shuttle Tethered Aerothermodynamics Research Facility (STARFAC) Instrumentation Requirements

The instrumentation requirements for the Shuttle Tethered Aerothermodynamic Research Facility (STARFAC) are presented. The typical physical properties of the terrestrial atmosphere are given along with representative atmospheric daytime ion concentrations and the equilibrium and nonequilibrium gas property comparison from a point away from a wall. STARFAC science and engineering measurements are given as are the TSS free stream gas analysis. The potential nonintrusive measurement techniques for hypersonic boundary layer research are outlined along with the quantitative physical measurement methods for aerothermodynamic studies.

Wood, George M.↗

Nonequilibrium dynamics of spontaneous symmetry breaking into a hidden state of charge-density wave

Abstract Nonequilibrium phase transitions play a pivotal role in broad physical contexts, from condensed matter to cosmology. Tracking the formation of nonequilibrium phases in condensed matter requires a resolution of the long-range cooperativity on ultra-short timescales. Here, we study the spontaneous transformation of a charge-density wave in CeTe 3 from a stripe order into a bi-directional state inaccessible thermodynamically but is induced by intense laser pulses. With ≈100 fs resolution coherent electron diffraction, we capture the entire course of this transformation and show self-organization that defines a nonthermal critical point, unveiling the nonequilibrium energy landscape. We discuss the generation of instabilities by a swift interaction quench that changes the system symmetry preference, and the phase ordering dynamics orchestrated over a nonadiabatic timescale to allow new order parameter fluctuations to gain long-range correlations. Remarkably, the subsequent thermalization locks the remnants of the transient order into longer-lived topological defects for more than 2 ns.

36 MATERIALS SCIENCE↗

In Situ Resource Utilization Technology Research and Facilities Supporting the NASA's Human Systems Research and Technology Life Support Program

The NASA Microgravity Science program has transitioned research required in support of NASA s Vision for Space Exploration. Research disciplines including the Materials Science, Fluid Physics and Combustion Science are now being applied toward projects with application in the planetary utilization and transformation of space resources. The scientific and engineering competencies and infrastructure in these traditional fields developed at multiple NASA Centers and by external research partners provide essential capabilities to support the agency s new exploration thrusts including In-Situ Resource Utilization (ISRU). Among the technologies essential to human space exploration, the production of life support consumables, especially oxygen and; radiation shielding; and the harvesting of potentially available water are realistically achieved for long-duration crewed missions only through the use of ISRU. Ongoing research in the physical sciences have produced a body of knowledge relevant to the extraction of oxygen from lunar and planetary regolith and associated reduction of metals and silicon for use meeting manufacturing and repair requirements. Activities being conducted and facilities used in support of various ISRU projects at the Glenn Research Center and Marshall Space Flight Center will be described. The presentation will inform the community of these new research capabilities, opportunities, and challenges to utilize their materials, fluids and combustion science expertise and capabilities to support the vision for space exploration.

Schlagheck, Ronald A.↗

Terahertz Circular Dichroism Spectroscopy of Molecular Assemblies and Nanostructures

Chemical, physical, biological and materials engineering disciplines use a variety of chiroptical spectroscopies to probe geometrical and optical asymmetry in molecules and particles. Electronic (ECD) and vibrational (VCD) circular dichroism are the most common of these techniques and collectively enable the studies of electronic and vibronic transitions with energies between 0.1 and 5.0 eV. The vibrational states with characteristic energies in the range of 0.001–0.01 eV carry valuable information about concerted intermolecular motions in molecules and crystals involving multiple atoms. These vibronic transitions located in the terahertz (THz) part of the spectrum become increasingly more important for the chemistry, physics, and biology of complex molecules and materials However, the methodology and hardware of THz circular dichroism (TCD) are much less developed than the chiroptical spectroscopies for ultraviolet, visible, near- and mid infrared photons. In this report we provide theoretical foundations, practical implementations, comparative assessments, and exemplary applications of TCD spectroscopy. We show that the sign, intensity, and position of TCD peaks are highly sensitive to the three-dimensional structure and long-range organization of molecular crystals, which offer unique capabilities to study (bio) molecules, their crystals, and nanoscale assemblies and apply the novel data processing methodologies. TCD also offers a convenient toolbox to identify new physical phenomena, such as chiral phonons and their propagation in nanostructured matter. We also discuss the major challenges, emerging opportunities and promising research directions, including broad investigation of chiral phonons observed in chiral (nano) crystals and emerging machine learning methodologies for TCD in biological and nanoscale structures. Ubiquity of low-frequency vibrations with rotational components in biomolecular structures, combined with sharpness of peaks in TCD spectra, enables a variety of technological translations.

36 MATERIALS SCIENCE↗

Molecular coupling competing with defects within insulator of the magnetic tunnel junction-based molecular spintronics devices

Nearly 70 years old dream of incorporating molecule as the device element is still challenged by competing defects in almost every experimentally tested molecular device approach. This paper focuses on the magnetic tunnel junction (MTJ) based molecular spintronics device (MTJMSD) method. An MTJMSD utilizes a tunnel barrier to ensure a robust and mass-producible physical gap between two ferromagnetic electrodes. MTJMSD approach may benefit from MTJ's industrial practices; however, the MTJMSD approach still needs to overcome additional challenges arising from the inclusion of magnetic molecules in conjunction with competing defects. Molecular device channels are covalently bonded between two ferromagnets across the insulating barrier. An insulating barrier may possess a variety of potential defects arising during the fabrication or operational phase. This paper describes an experimental and theoretical study of molecular coupling between ferromagnets in the presence of the competing coupling via an insulating tunnel barrier. We discuss the experimental observations of hillocks and pinhole-type defects producing inter-layer coupling that compete with molecular device elements. We performed theoretical simulations to encompass a wide range of competition between molecules and defects. Monte Carlo Simulation (MCS) was used for investigating the defect-induced inter-layer coupling on MTJMSD. Our research may help understand and design molecular spintronics devices utilizing various insulating spacers such as aluminum oxide (AlOx) and magnesium oxide (MgO) on a wide range of metal electrodes. This paper intends to provide practical insights for researchers intending to investigate the molecular device properties via the MTJMSD approach and do not have a background in magnetic tunnel junction fabrication.

36 MATERIALS SCIENCE↗

Gerischer Electrochemistry Today

Semiconductor photoelectrochemistry is a dynamic and interdisciplinary field at the forefront of research in solar fuels, energy conversion, and catalysis. Here, this Perspective captures the collective insights from the second Gerischer Electrochemistry Today Symposium, held at Colorado State University in Fort Collins, CO, in August 2024, which convened leading researchers, early-career scientists, and industry partners to define the critical next steps for the field. Through interactive sessions, technical talks, panel discussions, and training initiatives─including a Semiconductor Electrochemistry Bootcamp─the symposium emphasized three pillars of advancement: (i) facilitating the exchange of new ideas in semiconductor electrochemistry and charge separation; (ii) fostering the development of future researchers, research topics, and participation in the semiconductor workforce; and (iii) building community. This Energy Focus distills key themes from the meeting and identifies major knowledge gaps in the following areas: mechanisms of charge separation and recombination, role of defects and disorder, dynamic and operando characterization methods, interfacial chemistry and surface passivation, theoretical and modeling limitations, and standardization and benchmarking. The inclusive and collaborative structure of the symposium enabled the generation of this comprehensive report that will serve as a roadmap for fundamental and applied research in the rapidly evolving field of semiconductor electrochemistry over the next decade.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The high explosives & affected targets (HEAT) dataset

Artificial Intelligence (AI) surrogate models offer a computationally efficient alternative to full-physics simulations, yet no existing datasets are publicly available for training, testing, and validation of machine learning models of the dynamics of high-explosive driven shocks through multiple materials. Shock propagation through materials is a computationally challenging problem because simulations must include material-specific equations of state (EOS) along with descriptions of other physical processes such as plastic deformation, phase change, damage processes, fluid instabilities, and multi-material interactions. Shocks are typically initiated by high-velocity impacts or explosive loading. The latter case necessitates the addition of models of reactive materials to represent high-explosive (HE) detonation. Here, to address the lack of an expansive dataset for multi-material shock propagation in the AI/ML community, we present the High-Explosives and Affected Targets (HEAT) Dataset. HEAT is a physics-rich collection of two-dimensional, cylindrically symmetric, simulations generated using an Eulerian, multi-material, shock-propagation code developed at Los Alamos National Laboratory. The dataset includes two partitions: (1) the expanding shock-cylinder (CYL) simulations, Figs. 1, and (2) the Perturbed Layered Interface (PLI) simulations, Fig. 2. Entries in both partitions consist of time series of arrays of thermodynamic fields (pressure, density, and temperature), kinematic fields (position and velocity), and additional fields that depend on thermodynamic and/or kinematic fields (e.g., material stress). Materials in the CYL partition include solids (aluminium, copper, depleted uranium, stainless steel, tantalum, and a generic polymer), a liquid (water), gases (air, nitrogen), and a generic detonating material (high explosive, HE). The PLI partition spans a highly varying geometry but consists of fixed materials across entries: Copper, aluminium, stainless steel, generic polymer, and generic HE. HEAT captures critical phenomena such as momentum transfer, shock propagation, plastic deformation, and thermal effects, making HEAT a valuable benchmark for development of AI/ML emulation of multi-material shock propagation.

36 MATERIALS SCIENCE↗

Review of pulsed power-driven high energy density physics research on Z at Sandia

Pulsed power accelerators compress electrical energy in space and time to provide versatile experimental platforms for high energy density and inertial confinement fusion science. The 80-TW “Z” pulsed power facility at Sandia National Laboratories is the largest pulsed power device in the world today. Z discharges up to 22 MJ of energy stored in its capacitor banks into a current pulse that rises in 100 ns and peaks at a current as high as 30 MA in low-inductance cylindrical targets. Considerable progress has been made over the past 15 years in the use of pulsed power as a precision scientific tool. This paper reviews developments at Sandia in inertial confinement fusion, dynamic materials science, x-ray radiation science, and pulsed power engineering, with an emphasis on progress since a previous review of research on Z in Physics of Plasmas in 2005.

Sinars, D. B. (ORCID:0000000155473532)↗

Quantum computing hardware for HEP algorithms and sensing

Quantum information science harnesses the principles of quantum mechanics to realize computational algorithms with complexities vastly intractable by current computer platforms. Typical applications range from quantum chemistry to optimization problems and also include simulations for high energy physics. The recent maturing of quantum hardware has triggered preliminary explorations by several institutions (including Fermilab) of quantum hardware capable of demonstrating quantum advantage in multiple domains, from quantum computing to communications, to sensing. The Superconducting Quantum Materials and Systems (SQMS) Center, led by Fermilab, is dedicated to providing breakthroughs in quantum computing and sensing, mediating quantum engineering and HEP based material science. The main goal of the Center is to deploy quantum systems with superior performance tailored to the algorithms used in high energy physics. In this Snowmass paper, we discuss the two most promising superconducting quantum architectures for HEP algorithms, i.e. three-level systems (qutrits) supported by transmon devices coupled to planar devices and multi-level systems (qudits with arbitrary N energy levels) supported by superconducting 3D cavities. For each architecture, we demonstrate exemplary HEP algorithms and identify the current challenges, ongoing work and future opportunities. Furthermore, we discuss the prospects and complexities of interconnecting the different architectures and individual computational nodes. Finally, we review several different strategies of error protection and correction and discuss their potential to improve the performance of the two architectures. This whitepaper seeks to reach out to the HEP community and drive progress in both HEP research and QIS hardware.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Durable and High-Performance SOECs Based on Proton Conductors for Hydrogen Production

Proton-conducting solid oxide electrolysis cells (P-SOECs) are a promising technology for cost-effective and efficient production of green hydrogen. Breakthroughs in materials development, optimization of cell structure, and achievement of high performance and durability are essential to significantly increase the commercial competitiveness of these technologies. The main objective of this project is to gain scientific knowledge for the rational design, fabrication, and demonstration of a robust, highly efficient, and low-cost SOEC technology based on a proton-conducting electrolyte membrane for hydrogen production. We focused on better understanding the degradation mechanisms of proton-conducting electrolytes, air electrodes, and catalyst materials under electrolysis mode to develop an effective strategy for rationalizing new materials that are vital for enhancing cell performance and durability. The scope includes enhancing the performance and durability of the electrolyte and electrode materials under realistic operating conditions, developing highly active and robust catalysts to minimize electrode losses while improving tolerance to contaminant poisoning, revealing the mechanism of enhanced activity and stability of the catalyst, and understanding the underlying degradation mechanisms. In addition, various characterization techniques were employed to gain a fundamental understanding of the materials’ behavior and their impact on cell performance, providing vital information to guide materials discovery and cell design. After defect chemistry engineering, the optimized donor and acceptor co-doped electrolytes BaMo/W 0.03 Ce 0.71 Yb 0.26 O 3-δ (BM/W03) showed substantially improved chemical stability against high concentrations of CO 2 and H 2 O compared to the state-of-the-art electrolyte (BaZr 0.1 Ce 0.7 Y 0.1 Yb 0.1 O 3-δ , BZCYYb1711) while maintaining comparable ionic conductivity and ionic transference number. To bypass the inherent trade-off between conductivity and chemical stability, we fabricated a bi-layer electrolyte composed of BZCYYb1711 coated with a highly-stable thin layer of BaHf 0.83 Yb 0.17 O 3-δ (BHYb). This bi-layer electrolyte displayed excellent chemical stability against high concentration CO 2 ; there was no detectable formation of BaCO 3 after exposure to 97% CO 2 (with 3% H 2 O) at 500 °C for 1000 hours and the rate of degradation in resistance was about 0.4% per 1,000 hours (kh). In contrast, the same BZCYYb1711 electrolyte without a BHYb coating degraded significantly under the same testing conditions; the degradation rate was increased to 5.1%/kh. In addition, a triple conducting air electrode Ba 0.9 Pr 0.1 Hf 0.1 Y0.1Co 0.8 O 3-δ (BPHYC) was developed by heavily doping transition metal ions into a proton-conducting material. This air electrode material, composed of 3 distinct phases, exhibits superior electrocatalytic activity due to the synergistic effect from the three component phases. Moreover, an active and durable catalyst, La 2 Ni 0.5 Fe 0.5 O 4+δ (LNF), was developed, showing excellent catalytic activity and contaminant tolerance, with a degradation rate of only 0.49%/kh when exposed to high concentrations of steam and Cr. Finally, single cells were constructed from the best electrolytes, electrodes, and catalyst coatings developed in this project. These cells demonstrated superior high current density at a given cell voltage, high roundtrip efficiency, and remarkable durability (up to 1000 hours of operation).

08 HYDROGEN↗

Physics Division Strategic Plan: Science Drivers

The Physics Division Science Drivers articulate the overarching scientific objectives that we seek to address and that form the lifeblood of our Division. While many physics subfields are represented in the Physics Division’s scientific portfolio, we strive to maintain or achieve excellence and international leadership in only a few areas. While diversity of science and engineering efforts is strongly supported and provides the fertile soil for innovation, there are dominating areas in which we must excel to accomplish our mission that is stated as: “We design, execute and analyze experiments that challenge, improve and validate our understanding of fundamental physics underpinning LANL’s national security mission.”

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗