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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Phase coexistence implications of violating Newton’s third law

Newton’s third law, action = reaction, is a foundational statement of classical mechanics. However, in natural and living systems, this law appears to be routinely violated for constituents interacting in a nonequilibrium environment. Here, we use computer simulations to explore the macroscopic phase behavior implications of breaking microscopic interaction reciprocity for a simple model system. We consider a binary mixture of attractive particles and introduce a parameter that is a continuous measure of the degree to which interaction reciprocity is broken. In the reciprocal limit, the species are indistinguishable, and the system phase separates into domains with distinct densities and identical compositions. Furthermore, increasing nonreciprocity is found to drive the system to explore a rich assortment of phases, including phases with strong composition asymmetries and three-phase coexistence. Many of the states induced by these forces, including traveling crystals and liquids, have no equilibrium analogs. By mapping the complete phase diagram for this model system and characterizing these unique phases, our findings offer a concrete path forward toward understanding how nonreciprocity shapes the structures found in living systems and how this might be leveraged in the design of synthetic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Digital twins and deep learning segmentation of defects in monolayer MX 2 phases

Developing methods to understand and control defect formation in nanomaterials offers a promising route for materials discovery. Monolayer MX 2 phases represent a particularly compelling case for defect engineering of nanomaterials due to the large variability in their physical properties as different defects are introduced into their structure. However, effective identification and quantification of defects remain a challenge even as high-throughput scanning transmission electron microscopy methods improve. This study highlights the benefits of employing first principles calculations to produce digital twins for training deep learning segmentation models for defect identification in monolayer MX 2 phases. Around 600 defect structures were obtained using density functional theory calculations, with each monolayer MX 2 structure being subjected to multislice simulations for the purpose of generating the digital twins. Several deep learning segmentation architectures were trained on this dataset, and their performances evaluated under a variety of conditions such as recognizing defects in the presence of unidentified impurities, beam damage, grain boundaries, and with reduced image quality from low electron doses. Further, this digital twin approach allows benchmarking different deep learning architectures on a theory dataset, which enables the study of defect classification under a broad array of finely controlled conditions. It thus opens the door to resolving the underpinning physical reasons for model shortcomings and potentially chart paths forward for automated discovery of materials defect phases in experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Approaching hydro-equivalent ignition in laser direct-drive via target design optimization using novel statistical modeling

Laser direct-drive offers significant advantages in terms of target simplicity, improved energy coupling, and large fuel masses over indirect drive. However, performance degradations from hydrodynamic and laser-plasma instabilities seeded and driven by the direct illumination pose limitations on the parameter space available for achieving ignition. In this paper, new design improvements are identified to forge a path forward for a hydro-equivalent ignition demonstration. The first is related to a new formulation of the statistical model (SM) used to accurately predict target performance directly from input parameters such as laser pulse shape and target specifications. This new SM formulation provides direct guidance on target dimensions and laser beam-to-target radius to achieve the highest fusion yield on the OMEGA laser. The second improvement comes from cooling the deuterium–tritium (DT) ice layer below the triple point right before shot time leading to lower DT vapor densities and higher convergence. Guided by these design improvements, a Bayesian optimization algorithm was used to design an implosion that is predicted to closely approach a Lawson triple product that hydrodynamically scales to ignition if equivalent laser–target coupling is achieved at laser energies typical of the National Ignition Facility.

Deuterium↗
DOE OSTI2020

Radiative absorption enhancements by black carbon controlled by particle-to-particle heterogeneity in composition

Black carbon (BC) absorbs solar radiation, leading to a strong but uncertain warming effect on climate. A key challenge in modeling and quantifying BC’s radiative effect on climate is predicting enhancements in light absorption that result from internal mixing between BC and other aerosol components. Modeling and laboratory studies show that BC, when mixed with other aerosol components, absorbs more strongly than pure, uncoated BC; however, some ambient observations suggest more variable and weaker absorption enhancement. We show that the lower-than-expected enhancements in ambient measurements result from a combination of two factors. First, the often used spherical, concentric core-shell approximation generally overestimates the absorption by BC. Second, and more importantly, inadequate consideration of heterogeneity in particle-to-particle composition engenders substantial overestimation in absorption by the total particle population, with greater heterogeneity associated with larger model–measurement differences. We show that accounting for these two effects—variability in per-particle composition and deviations from the core-shell approximation—reconciles absorption enhancement predictions with laboratory and field observations and resolves the apparent discrepancy. Furthermore, our consistent model framework provides a path forward for improving predictions of BC’s radiative effect on climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Quantum approximate optimization of the long-range Ising model with a trapped-ion quantum simulator

Quantum computers and simulators may offer significant advantages over their classical counterparts, providing insights into quantum many-body systems and possibly improving performance for solving exponentially hard problems, such as optimization and satisfiability. Here, we report the implementation of a low-depth Quantum Approximate Optimization Algorithm (QAOA) using an analog quantum simulator. We estimate the ground-state energy of the Transverse Field Ising Model with long-range interactions with tunable range, and we optimize the corresponding combinatorial classical problem by sampling the QAOA output with high-fidelity, single-shot, individual qubit measurements. We execute the algorithm with both an exhaustive search and closed-loop optimization of the variational parameters, approximating the ground-state energy with up to 40 trapped-ion qubits. We benchmark the experiment with bootstrapping heuristic methods scaling polynomially with the system size. We observe, in agreement with numerics, that the QAOA performance does not degrade significantly as we scale up the system size and that the runtime is approximately independent from the number of qubits. We finally give a comprehensive analysis of the errors occurring in our system, a crucial step in the path forward toward the application of the QAOA to more general problem instances.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Mechanical theory of nonequilibrium coexistence and motility-induced phase separation

Nonequilibrium phase transitions are routinely observed in both natural and synthetic systems. The ubiquity of these transitions highlights the conspicuous absence of a general theory of phase coexistence that is broadly applicable to both nonequilibrium and equilibrium systems. Here, in this study, we present a general mechanical theory for phase separation rooted in ideas explored nearly a half-century ago in the study of inhomogeneous fluids. The core idea is that the mechanical forces within the interface separating two coexisting phases uniquely determine coexistence criteria, regardless of whether a system is in equilibrium or not. We demonstrate the power and utility of this theory by applying it to active Brownian particles, predicting a quantitative phase diagram for motility-induced phase separation in both two and three dimensions. This formulation additionally allows for the prediction of novel interfacial phenomena, such as an increasing interface width while moving deeper into the two-phase region, a uniquely nonequilibrium effect confirmed by computer simulations. The self-consistent determination of bulk phase behavior and interfacial phenomena offered by this mechanical perspective provide a concrete path forward toward a general theory for nonequilibrium phase transitions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Thermal-Hydraulic and Neutronic Phenomena Important in Modeling and Simulation of Liquid-Fuel Molten Salt Reactors

In this paper, we discuss liquid-fuel molten salt (cooled) reactors (MSRs); how they will operate under normal, transient, and accident conditions; and the results of an expert elicitation to determine the corresponding thermal-hydraulic and neutronic phenomena important to understanding their behavior. Identifying these phenomena will enable the U.S. Nuclear Regulatory Commission (NRC), U.S. Department of Energy, and industry to develop or identify modeling functionalities and tools required to carry out confirmatory and licensing analyses that examine the validity and accuracy of an applicant's calculations and help determine the margin of safety in plant design. The NRC frequently does an expert elicitation using a Phenomena Identification and Ranking Table (PIRT) to identify and evaluate the state of knowledge of important modeling phenomena. However, few details about the design of these reactors and the sequence of events during accidents are known, so the process used was considered a preliminary PIRT. A panel comprising a group of subject matter experts met to define phenomena that would need to be modeled and considered the impact/importance of each phenomenon with respect to specific figures of merit (FoMs) (e.g., salt temperature, velocity, and composition). Each FoM reflected a potential impact on radionuclide release or loss of a barrier to release. The panel considered what the path forward might be with respect to being able to model the phenomenon in a simulation code. Results are explained for both thermal and fast spectrum designs, with an emphasis on the thermal-hydraulic takeaways. It was concluded that compared to light water reactors, the lack of high-pressure operation, energetic break flow, depressurization, and quench front tracking may simplify some aspects of an MSR analysis. However, MSRs have new phenomena both for a license applicant and NRC confirmatory analysis. There is a need for enhanced understanding of physical properties for MSRs that encompass several individual thermophysical properties, including thermal conductivity, viscosity, specific heat, density, optical properties, thermodynamic properties, volatilities, solubilities, etc. Salt composition is closely linked to both these properties and the neutronics of the system. Additionally, the large number of MSR concepts and system designs means that there is wide variation in the potential modeling needs for these systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Considerations for Hydride Moderator Readiness in Microreactors

The emergence of microreactor technology has helped to drive supporting nuclear materials qualification and acceptance processes. One essential component in these small reactors is a solid moderator, which typically consists of metal hydride and cladding. While the behavior and performance of metal-hydride moderators go back to early advanced reactor development for nuclear-powered aviation and space propulsion, there remains a knowledge gap in the understanding of hydrogen transport–related phenomena and irradiation performance for hydride moderators. This impacts the acceptance/qualification of hydride moderators for microreactors. The goal of this technical note is to lay out a potential path forward for advanced moderator qualification and acceptance for designers and developers of microreactors. The proposed approach has benefited from a model microreactor core with the design parameters of a hydride moderator. Based on the model core and design parameters, a simple chart was developed for the major challenges of hydride moderators where potential incidents, causes, effects, and resolutions are described. The relation between the offered resolutions and the maturity of the metal-hydride moderator technology was emphasized using technological readiness. Technological readiness levels (TRLs) were clustered to three sets: physical phenomena related, reactor irradiations, and system demonstration. Some essential needs to fill the knowledge gaps are discussed for physical phenomena–related TRLs. For reactor irradiations, the importance of identifying goals and priorities is stressed to reach certain TRLs. For system demonstration, it is noted that metal-hydride moderator qualification must comply with the overall microreactor design.

36 MATERIALS SCIENCE↗
DOE OSTI2026

The ENDF/B Nuclear Data Library and Its Impact on Reactor Simulations

The ENDF/B library, which is developed, maintained, and distributed by the Cross Section Evaluation Working Group, is the main source of nuclear data for analyses and computational simulations in nuclear applications, like different nuclear reactors concepts, radiation shielding, medical applications, astrophysics, etc. The library is constantly being improved and updated, with each release bringing an optimal representation of nuclear interactions as they are understood in their time. The most recent release, ENDF/B-VIII.1, represents a significant improvement in terms of the performance and consistency of the measured differential data relative to previous versions, as it combines the most recent experimental differential data and advanced theoretical nuclear models. As one of the many highlights, ENDF/B-VIII.1 restores a high-burnup depletion performance, comparable to ENDF/B-VII.1, that had been degraded in ENDF/B-VIII.0, while further improving the performance in criticality benchmarks, such as those in the Mosteller’s suite. Additionally noteworthy is the improved performance of ENDF/B-VIII.1 in radiation shielding and thick-target leakage spectrum integral experiments, which are also important for fusion and reactor applications. In this work we present in a very summarized way the main updates implemented in the ENDF/B-VIII.1 release and its main impacts, and also begin to delineate the path forward as to what to expect in the future for the next ENDF/B release, which, based on the timeline of the past few releases, is estimated to happen around 5 years from now. We emphasize that the ENDF/B-VIII.1 release was the product of an enormous collaborative effort among many authors and that for a complete detailed picture, the reader is strongly encouraged to refer to the article accompanying the release, which is currently in the publication process, but available as preprint [G. P. A. Nobre et al. arXiv Preprint arXiv: 2511.03564 (2025)].

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Accelerated Irradiation Testing and Post-Irradiation Characterization: U.S.-Based Capabilities for Advanced Nuclear Systems and Radioisotope Production

Irradiation experiments and post-irradiation examinations, together referred to as irradiation testing (IRT), are prerequisites for nuclear fuel and material qualification for the deployment of new and advanced reactors, as well as radioisotope production, thereby ensuring regulatory compliance. Qualified research and test reactors (RTRs) and testing facilities are essential to enable IRT to verify performance and safety under prototypical reactor conditions. In the past, qualification of new fuels or structural materials required about 20 years. Synergist strategies, advanced tools, and qualified methods are needed to greatly reduce this timeframe of IRT and radioisotope production. This study, termed accelerated-IRT, focuses on identifying gaps and leveraging U.S.-based RTRs and material testing capabilities, leveraging the preliminary evaluation and qualification of selected RTRs to provide a generic as well as specific-case solution paths forward, ensuring adherence to stringent regulatory standards. Furthermore, IRT and radioisotope production utilizing qualified RTRs necessarily includes modeling and simulation to support the design (i.e. neutronics, thermal, and structural aspects) and manufacturing of irradiation test specimens, vehicles, capsules, apparatuses, and flow loops. In addition, IRT can be improved by applying advanced manufacturing techniques and in-pile sensors and instrumentation, as discussed in this study.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Combinatorial Deposition of Ultrathick Ta-W-Au-Bi High-Entropy Alloys for Next-Generation Hohlraums by Direct-Current Magnetron Sputtering

Hohlraum temperature calculations with the model by J. H. Hammer and M. D. Rosen predict a higher X-ray drive from Ta-W-Au-Bi high-entropy alloys compared to pure Au and recently developed Ta 4 Au and Au-Bi hohlraums. Here, we study the microstructure and properties of 25-75−µm-thick Ta-W-Au-Bi alloy films deposited via combinatorial direct-current magnetron sputtering. All of the films have promising physical properties, including high electrical resistivity, that satisfy the requirements for magnetically assisted inertial confinement fusion experiments. While porosity tends to increase with increasing Bi content, we also found that films with Bi content > 44 at. % exhibited densification close to the substrate/film interface and formed a single-phase alloy. In conclusion, these findings provide a potential path forward for the development of Ta-W-Au-Bi alloys for next-generation hohlraum materials.

Magnetron sputtering↗
DOE OSTI2014

Steady state scenario development with elevated minimum safety factor on DIII-D

On DIII-D, a high β scenario with minimum safety factor (q min ) near 1.4 has been optimized with new tools and shown to be a favourable candidate for long pulse or steady state operation in future devices. Furthermore, the new capability to redirect up to 5 MW of neutral beam injection (NBI) from on- to off-axis improves the ability to sustain elevated q min with a less peaked pressure profile. The observed changes increase the ideal magnetohydrodynamics (MHD) n = 1 mode β N limit thus providing a path forward for increasing the noninductive current drive fraction by operating at high β N . Quasi-stationary discharges free of tearing modes have been sustained at βN = 3.5 and β T = 3.6% for two current profile diffusion timescales (about 3 s) limited by neutral beam duration. The discharge performance has normalized fusion performance expected to give fusion gain Q ≈ 5 in a device the size of ITER. Analysis of the poloidal flux evolution and current drive balance show that the loop voltage profile is almost relaxed even with 25% of the current driven inductively, and q min remains elevated near 1.4. Our observations increase confidence that the current profile will not evolve to one unstable to a tearing mode. In preliminary tests a divertor heat flux reduction technique based on producing a radiating mantle with neon injection appears compatible with this operating scenario. 0D model extrapolations suggest it may be possible to push this scenario up to 100% noninductive current drive by raising β N . Similar discharges with q min = 1.5–2 were susceptible to tearing modes and off-axis fishbones, and with q min > 2 lower normalized global energy confinement time is observed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

The 2017 Plasma Roadmap: Low temperature plasma science and technology

Journal of Physics D: Applied Physics published the first Plasma Roadmap in 2012 consisting of the individual perspectives of 16 leading experts in the various sub-fields of low temperature plasma science and technology. The 2017 Plasma Roadmap is the first update of a planned series of periodic updates of the Plasma Roadmap. The continuously growing interdisciplinary nature of the low temperature plasma field and its equally broad range of applications are making it increasingly difficult to identify major challenges that encompass all of the many sub-fields and applications. This intellectual diversity is ultimately a strength of the field. The current state of the art for the 19 sub-fields addressed in this roadmap demonstrates the enviable track record of the low temperature plasma field in the development of plasmas as an enabling technology for a vast range of technologies that underpin our modern society. At the same time, the many important scientific and technological challenges shared in this roadmap show that the path forward is not only scientifically rich but has the potential to make wide and far reaching contributions to many societal challenges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

S -factor and scattering-parameter extractions from ${}^{3}\mathrm{He}+{}^{4}\mathrm{He}{ \rightarrow }^{7}\mathrm{Be}+\gamma $

Previous studies of the reaction ${}^{3}\mathrm{He}+{}^{4}\mathrm{He}\to {}^{7}\mathrm{Be}+\gamma $ have mainly focused on providing the best central value and error bar for the S factor at solar energies. Experimental measurements of this capture reaction at higher energies, the ${}^{3}\mathrm{He}$–${}^{4}\mathrm{He}$ scattering phase shifts, as well as properties of ${}^{7}\mathrm{Be}$ and its excited state, have been used to constrain the theoretical models employed for this purpose. Here we show that much more information than was previously appreciated can be extracted from angle-integrated capture data alone. We use the next-to-leading-order (NLO) amplitude in an effective field theory (EFT) for ${}^{3}\mathrm{He}+{}^{4}\mathrm{He}\to {}^{7}\mathrm{Be}+\gamma $ to perform the extrapolation. At this order the EFT describes the capture process using an s-wave scattering length and effective range, the asymptotic properties of ${}^{7}\mathrm{Be}$ and its excited state, and short-distance contributions to the E1 capture amplitude. We extract the multi-dimensional posterior of all these parameters via a Bayesian analysis that uses capture data below 2 MeV. We find that properties of the ${}^{7}\mathrm{Be}$ ground and excited states are well constrained. The total S factor $S(0)\,={0.577}_{-0.016}^{+0.015}$ keV b, while the branching ratio for excited- to ground-state capture at zero energy, ${Br}(0)={0.406}_{-0.011}^{+0.013}$, both at 68% degree of belief. This S(0) is broadly consistent with other recent evaluations, and agrees with the previously recommended value $S(0)=0.56\pm 0.03\,\,\mathrm{keV}$ b, but has a smaller error bar. We also find significant constraints on ${}^{3}\mathrm{He}$–${}^{4}\mathrm{He}$ scattering parameters, and we obtain constraints on the angular distribution of capture gamma rays, which is important for interpreting experiments. The path forward for this reaction seems to lie with better measurements of the scattering phase shifts and S(E)'s angular dependence away from zero energy, together with better understanding of the asymptotic normalization coefficients of the ${}^{7}$Be bound states' wave functions. Lastly, data on these could further reduce the uncertainty on S(0).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Quantifying uncertainties on fission fragment mass yields with mixture density networks

Probabilistic machine learning techniques can learn both complex relations between input features and output quantities of interest as well as take into account stochasticity or uncertainty within a data set. In this initial work, we explore the use of one such probabilistic network, the mixture density network (MDN), to reproduce fission yields and their uncertainties. In this paper, we study mass yields for the spontaneous fission of 252 Cf, exploring the number of training samples needed for converged predictions, how different levels of uncertainty propagate from the training set to the MDN predictions, and how well physical constraints of the yields—such as normalization and symmetry—are upheld by the algorithm. Finally, we test the ability of the MDN to interpolate between and extrapolate beyond samples in the training set using energy-dependent mass yields for the neutron-induced fission on 235 U. The MDN provides a reliable way to include and predict uncertainties and is a promising path forward for supplementing sparse sets of nuclear data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Electron scattering and neutrino physics

Abstract A thorough understanding of neutrino–nucleus scattering physics is crucial for the successful execution of the entire US neutrino physics program. Neutrino–nucleus interaction constitutes one of the biggest systematic uncertainties in neutrino experiments—both at intermediate energies affecting long-baseline deep underground neutrino experiment, as well as at low energies affecting coherent scattering neutrino program—and could well be the difference between achieving or missing discovery level precision. To this end, electron–nucleus scattering experiments provide vital information to test, assess and validate different nuclear models and event generators intended to test, assess and validate different nuclear models and event generators intended to be used in neutrino experiments. Similarly, for the low-energy neutrino program revolving around the coherent elastic neutrino–nucleus scattering (CEvNS) physics at stopped pion sources, such as at ORNL, the main source of uncertainty in the evaluation of the CEvNS cross section is driven by the underlying nuclear structure, embedded in the weak form factor, of the target nucleus. To this end, parity-violating electron scattering (PVES) experiments, utilizing polarized electron beams, provide vital model-independent information in determining weak form factors. This information is vital in achieving a percent level precision needed to disentangle new physics signals from the standard model expected CEvNS rate. In this white paper, we highlight connections between electron- and neutrino–nucleus scattering physics at energies ranging from 10 s of MeV to a few GeV, review the status of ongoing and planned electron scattering experiments, identify gaps, and lay out a path forward that benefits the neutrino community. We also highlight the systemic challenges with respect to the divide between the nuclear and high-energy physics communities and funding that presents additional hurdles in mobilizing these connections to the benefit of neutrino programs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Theoretical tools for neutrino scattering: interplay between lattice QCD, EFTs, nuclear physics, phenomenology, and neutrino event generators

Maximizing the discovery potential of increasingly precise neutrino experiments will require an improved theoretical understanding of neutrino-nucleus cross sections over a wide range of energies. Low-energy interactions are needed to reconstruct the energies of astrophysical neutrinos from supernovae bursts and search for new physics using increasingly precise measurement of coherent elastic neutrino scattering. Higher-energy interactions involve a variety of reaction mechanisms including quasi-elastic scattering, resonance production, and deep inelastic scattering that must all be included to reliably predict cross sections for energies relevant to DUNE and other accelerator neutrino experiments. Refined nuclear interaction models in these energy regimes will also be valuable for other applications, such as measurements of reactor, solar, and atmospheric neutrinos. This manuscript discusses the theoretical status, challenges, required resources, and path forward for achieving precise predictions of neutrino-nucleus scattering and emphasizes the need for a coordinated theoretical effort involved lattice QCD, nuclear effective theories, phenomenological models of the transition region, and event generators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Roadmap on multiscale materials modeling

Modeling and simulation is transforming modern materials science, becoming an important tool for the discovery of new materials and material phenomena, for gaining insight into the processes that govern materials behavior, and, increasingly, for quantitative predictions that can be used as part of a design tool in full partnership with experimental synthesis and characterization. Modeling and simulation is the essential bridge from good science to good engineering, spanning from fundamental understanding of materials behavior to deliberate design of new materials technologies leveraging new properties and processes. This Roadmap presents a broad overview of the extensive impact computational modeling has had in materials science in the past few decades, and offers focused perspectives on where the path forward lies as this rapidly expanding field evolves to meet the challenges of the next few decades. The Roadmap offers perspectives on advances within disciplines as diverse as phase field methods to model mesoscale behavior and molecular dynamics methods to deduce the fundamental atomic-scale dynamical processes governing materials response, to the challenges involved in the interdisciplinary research that tackles complex materials problems where the governing phenomena span different scales of materials behavior requiring multiscale approaches. The shift from understanding fundamental materials behavior to development of quantitative approaches to explain and predict experimental observations requires advances in the methods and practice in simulations for reproducibility and reliability, and interacting with a computational ecosystem that integrates new theory development, innovative applications, and an increasingly integrated software and computational infrastructure that takes advantage of the increasingly powerful computational methods and computing hardware.

36 MATERIALS SCIENCE↗