Search NASA⌕ Search

SEARCH · Search NASA

Results for “time evolution operators”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Quantum formalism for classical statistics

In static classical statistical systems the problem of information transport from a boundary to the bulk finds a simple description in terms of wave functions or density matrices. While the transfer matrix formalism is a type of Heisenberg picture for this problem, we develop here the associated Schrödinger picture that keeps track of the local probabilistic information. The transport of the probabilistic information between neighboring hypersurfaces obeys a linear evolution equation, and therefore the superposition principle for the possible solutions. Operators are associated to local observables, with rules for the computation of expectation values similar to quantum mechanics. We discuss how non-commutativity naturally arises in this setting. Also other features characteristic of quantum mechanics, such as complex structure, change of basis or symmetry transformations, can be found in classical statistics once formulated in terms of wave functions or density matrices. We construct for every quantum system an equivalent classical statistical system, such that time in quantum mechanics corresponds to the location of hypersurfaces in the classical probabilistic ensemble. For suitable choices of local observables in the classical statistical system one can, in principle, compute all expectation values and correlations of observables in the quantum system from the local probabilistic information of the associated classical statistical system. Realizing a static memory material as a quantum simulator for a given quantum system is not a matter of principle, but rather of practical simplicity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Data-Driven Operator Theoretic Methods for Phase Space Learning and Analysis

This paper uses data-driven operator theoretic approaches to explore the global phase space of a dynamical system. In this work, we defined conditions for discovering new invariant subspaces in the state space of a dynamical system starting from an invariant subspace based on the spectral properties of the Koopman operator. When the system evolution is known locally in several invariant subspaces in the state space of a dynamical system, a phase space stitching result is derived that yields the global Koopman operator. Additionally, in the case of equivariant systems, a phase space stitching result is developed to identify the global Koopman operator using the symmetry properties between the invariant subspaces of the dynamical system and time-series data from any one of the invariant subspaces. Finally, these results are extended to topologically conjugate dynamical systems; in particular, the relation between the Koopman tuple of topologically conjugate systems is established. The proposed results are demonstrated on several second-order nonlinear dynamical systems including a bistable toggle switch. Our method elucidates a strategy for designing discovery experiments: experiment execution can be done in many steps, and models from different invariant subspaces can be combined to approximate the global Koopman operator.

42 ENGINEERING↗
DOE OSTI2023

Multiscale graph neural network autoencoders for interpretable scientific machine learning

The goal of this work is to address two limitations in autoencoder-based models: latent space interpretability and compatibility with unstructured meshes. This is accomplished here with the development of a novel graph neural network (GNN) autoencoding architecture with demonstrations on complex fluid flow applications. To address the first goal of interpretability, the GNN autoencoder achieves reduction in the number nodes in the encoding stage through an adaptive graph reduction procedure. Further, this reduction procedure essentially amounts to flowfieldconditioned node sampling and sensor identification, and produces interpretable latent graph representations tailored to the flowfield reconstruction task in the form of so-called masked fields. These masked fields allow the user to (a) visualize where in physical space a given latent graph is active, and (b) interpret the time-evolution of the latent graph connectivity in accordance with the time-evolution of unsteady flow features (e.g. recirculation zones, shear layers) in the domain. To address the goal of unstructured mesh compatibility, the autoencoding architecture utilizes a series of multi-scale message passing (MMP) layers, each of which models information exchange among node neighborhoods at various lengthscales. The MMP layer, which augments standard single-scale message passing with learnable coarsening operations, allows the decoder to more efficiently reconstruct the flowfield from the identified regions in the masked fields. Analysis of latent graphs produced by the autoencoder for various model settings are conducted using unstructured snapshot data sourced from large-eddy simulations in a backward-facing step (BFS) flow configuration with an OpenFOAM-based flow solver at high Reynolds numbers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Jupiter Laser Facility Annual Report, FY 2025

Dear JLF community, I cannot believe I am now entering my third year as JLF director — time definitely flies when you are having fun! FY25 was another pivotal year for the Jupiter Laser Facility, marked by both scientific achievement and growing visibility for our community. Building on the successful reopening and refurbishment of the facility, we continued to demonstrate how JLF drives innovation in high energy density and fusion energy science, laser technology, and workforce development. Across Janus, Titan, and COMET, users executed a diverse portfolio of experiments, from dynamic compression and opacity measurements to laser plasma interactions, laboratory astrophysics, and advanced diagnostics. These efforts are highlighted in this report, including the development of new probes that capture the time evolution of plasmas on a single shot, and diagnostics and platforms that are already impacting experiments at NIF and other large facilities. JLF continues to serve as both a testbed for new ideas and a bridge to larger scale campaigns. FY25 also showcased the broader role of JLF within the Laboratory and the national HED science ecosystem. The NIF JLF User Groups Meeting in February brought nearly 180 participants to Livermore and highlighted the scientific progress made during JLF’s first full year of renewed operations. JLF research and users were recognized with Director’s Institutional Awards and Early and Mid Career awards, underscoring the quality and impact of the work performed here. Our team also contributed prominently to national conversations about laser safety, plasma physics, and inertial fusion energy through invited talks, conferences, and professional society leadership. JLF’s integration with LaserNetUS deepened this year as well. We launched a new technical exchange program across LaserNetUS facilities and kicked it off with a JLF team visit to the BELLA Center at Lawrence Berkeley National Laboratory. These exchanges are strengthening operations, sharing best practices, and improving the user experience across the network. Filming for the LaserNetUS “Behind the Scenes” series and participation in the annual LaserNetUS meeting further increased the visibility of our facility and our users. At the same time, JLF continues to play a central role in ambitious new programs, such as the Big Aperture Thulium laser effort funded through one of the DOE Office of Science Microelectronics Science Research Centers, which will use JLF infrastructure to explore next generation high rep rate lasers for EUV and x-ray source development. A core part of our mission remains training the next generation of scientists. In FY25, we welcomed another cohort of summer students, who joined experimental teams on Titan and presented their research at LLNL’s student poster symposium and national inertial fusion energy meetings. JLF users and early career scientists showcased their work at conferences across the country, highlighting experiments performed at the facility. These hands on experiences, and the mentoring provided by our staff and user teams, are central to JLF’s identity as a true user facility. Finally, FY25 reinforced JLF’s role as a focal point for partnerships and outreach. We hosted visits from international collaborators, science leaders, and we shared the story of the facility through venues such as the Big Ideas Lab podcast. These interactions help connect our work to a broader scientific and policy audience and open new pathways for collaboration. As we look ahead, the combination of refurbished hardware, new capabilities like STILETTO and enhanced short pulse performance on Titan, strong partnerships across LLNL and LaserNetUS, and a growing user community positions JLF for an even more ambitious program in the coming years. I am deeply grateful to our technical and operations staff for their dedication, to our LLNL partners for their continued support, and to our users for bringing bold, creative ideas to the facility. I look forward to more experiments, capabilities, partnerships, and groundbreaking science in the years to come! With brightest regards, Félicie Albert, JLF Director.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Neutronics of Advanced-Fuel Fusion Experiments with DT Triggering

Nuclear fusion studies are currently devoted to the Deuterium-Tritium (DT) fuel cycle, the easiest way to reach ignition. The recent stress on safety by the world community has stimulated the research on other fuel cycles, based on advanced reactions, such as Deuterium-Helium-3 (DHe). With DHe, it is not necessary to breed and fuel tritium. The DHe cycle has a very low presence of energetic fusion neutrons, due to DD and DT side reactions, and it has the possibility to obtain electrical power by direct energy conversion of the protons produced by the fusion reactions. DHe fusion has its own set of problems, such as the availability of {sup 3}He and the attainment of the higher plasma parameters. To explore the possibilities of DHe plasmas, a burning plasma experiment at high magnetic field and high plasma densities is particularly attractive. Ignitor is a proposed compact high-magnetic field tokamak, aimed at studying plasma-burning conditions in Deuterium-Tritium plasmas. The Ignitor experiment is designed to reach ignition under controlled DT burning conditions. The machine parameters have been established, on the basis of existing knowledge of the confinement properties of high density plasmas. The scientific goal of the Ignitor experiment is to approach, for the first time, the ignition conditions of a magnetically confined D-T plasma. However, the plasma density limit in Ignitor being well above the optimal density for DT ignition, is potentially suitable to the higher densities required for DHe burning. In fact, Ignitor has been designed also to explore conditions where 14.7-MeV protons and 3.6-MeV alpha particles produced by the DHe reactions can supply a significant amount of thermal energy to a well-confined plasma. In particular, Ignitor can sustain plasma currents exceeding those required to confine proton orbits at birth, and has more than sufficiently high densities so that the slowing-down time of both the protons and the DT alpha particles is shorter than the electron energy replacement time of the thermal plasma in which they are produced. Preliminary analyses show that a fusion power PF around 2 MW, may be reached. As a start, Ignitor can perform initial studies at the level of approximately 1 MW of power in charged particles from the DHe reaction in a mostly DT plasma. CANDOR, a design evolution of Ignitor in the direction of a reactor using a DHe fuel cycle, has been proposed; it is a feasibility study of a high-field DHe experiment of larger dimensions and higher fusion power than Ignitor, however still based on the core Ignitor technologies. The main characteristics of the CANDOR machine are the following: the major radius Ro is about double than Ignitor, plasma currents up to 25 MA with toroidal magnetic fields B{sub T} = 13 T can be produced. Unlike Ignitor, CANDOR would operate with higher values of poloidal beta around unity and the central part of the plasma column in the Second Stability region. The characteristic times over which the plasma discharge can be sustained are longer by more than a factor of 4 than those of Ignitor. To produce such a strong magnetic field in a larger machine, the toroidal field coils have been divided into two sets of coils and the central solenoid (air core transformer) is placed between them in the inboard part. In CANDOR, the DHe burning regime can be reached, by a combination of ICRF heating and alpha particle heating due to DT fusion reactions, which take the role of a sort of trigger. Thanks to this fact, and unlike other proposed DHe fusion experiments, CANDOR is capable of reaching DHe ignition using the existing technologies, and present knowledge of plasma confinement phenomena. With the initial use of DT, where tritium comprises some 50% of an initial lower density DT plasma, but is not added thereafter, the need for an intense auxiliary heating, which is one of the main technological drawbacks of DHe ignition, would be considerably alleviated, becoming feasible with the present technology. However, this method has the disadvantage of using tritium and of presenting a higher neutron flux (due to DT reactions) than 'pure' DHe plasmas, generating a neutron flux transient when passing from the initial DT trigger reaction to the final DHe burning plasma. However, for an experimental machine one-of-a-kind of relatively small dimensions, this is not an issue. (authors)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Effects of size and thermophilic pre-hydrolysis of banana peel during anaerobic digestion, and biomethanation potential of key tropical fruit wastes

Highlights: • Digestibility of tropical fruit wastes is in order of banana, longan and rambutan. •Size reduction increased CH{sub 4} yield of LF banana peel by 23.2% in batch assay. • H{sub 2} and CH{sub 4} were produced by adding the front-end thermo pre-hydrolysis tank. • Thermo pre-hydrolysis tank provided methanogenic system stability at high solid feed. • Two stage digestion gave higher VS destruction and energy yield at high solid feed. - Abstract: Methane production potential of tropical fruit wastes, namely lady-finger banana peel, rambutan waste and longan waste were compared using BMP assay and stoichiometric modified Buswell and Mueller equation. Methane yields based on volatile solid (VS) were in the order of ground banana peel, chopped banana peel, chopped longan waste, and chopped rambutan waste (330.6, 268.3, 234.6 and 193.2 mLCH{sub 4}/gVS) that corresponded to their calculated biodegradability. In continuous operations of banana peel digestion at feed concentrations based on total solid (TS) 1–2%, mesophilic single stage digester run at 20-day hydraulic retention time (20-day HRT) failed at 2%TS, but successfully recovered at 1.5%TS. Pre-hydrolysis thermophilic reactor (4-d HRT) was placed as pre-treatment to mesophilic reactor (20-d HRT). Higher biogas (with an evolution of H{sub 2}) and energy yields were obtained and greater system stability was achieved over the single stage digestion, particularly at higher solid feedstock. The best performance of two stage digestion was 68.5% VS destruction and energy yield of 2510.9 kJ/kgVS added at a feed concentration of 2%TS.

09 BIOMASS FUELS↗
DOE OSTI2018

In situ measurements of reactions in a glass-forming batch by X-ray and neutron diffraction

We report the batch materials used in glass production are often too coarse to allow phase evolution measurements by in situ high-temperature x-ray diffraction (HTXRD). Reducing the particle sizes to accommodate these measurements changes the reaction kinetics and can alter the reaction pathway. Unlike conventional laboratory XRD, which operates in reflection mode and analyzes the surface region of finely ground powder, neutron diffraction can be used to characterize as-received batch materials by means of an intense beam which penetrates through a bulk sample. In this study, the phase evolution in a glass-forming batch made with fine batch materials was probed in situ by both HTXRD and time-of-flight neutron diffraction to determine the similarities and differences between measurements by the two techniques. Therefore, the same composition, prepared using the coarser, as-received size distributions of the same batch materials, was studied by both techniques, demonstrating the unique capability of neutron diffraction to analyze material which is too coarse for the HTXRD, and to reveal the effect of the particle size distribution on the reaction kinetics.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Reactor Fundamentals Handbook

The objective of the Knowledge Transfer Workshop is to transfer selected fundamental nuclear energy technology knowledge and experience to the nuclear industry’s next generation of leaders. The course provides the original bases for fundamental safety concepts, design features, and reactor technologies. The course discusses the “why” and the “how” for decisions that led to the current commercial nuclear reactor designs and regulatory framework. Various accidents and their attributes as well as other events that have strongly affected the evolution of the safety case, plant design, and operations are discussed. To prepare the course participant for the topics discussed, this handbook provides a crash course into the current state of commercialized Light Water Reactor technology. The material is introductory for the interested layperson and also serves as a refresher for scientists and engineers that may have studied Light Water Reactors at one time, but are currently not an expert in this field of nuclear engineering. This handbook is a brief tutorial and refresher training material on basic Light Water Reactor (LWR) core physics and plant systems. It is reference material for attendees of the Knowledge Transfer Workshop. There are two types of LWR technologies, Pressurized Water Reactor (PWR) and Boiling Water Reactors (BWR). This handbook discusses fundamental design traits of each providing contrasts between performance and safety features. The intent is to provide the participants with an understanding of nuclear terminology associated with LWR technology, including fundamentals, systems, safety, and regulations. This handbook is not an original textbook. Many authors have contributed collegiate level introduction to nuclear engineering texts. Rather, this material is intended to be a graded summary of important aspects of LWR reactor core and plant systems. It draws heavily on other resources. The interested reader is encouraged to follow citations made in this handbook to more thorough or detailed public references.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Risk Considerations of Transitioning CO2-EOR Field to CO2 storage Field: Case Study

In the United States (U.S.), carbon dioxide (CO2) injection wells at EOR sites are currently regulated as Class II wells under the U.S. Environmental Protection Agency’s (EPA) Underground Injection Control (UIC) program while dedicated geological CO2 storage (GCS) wells are considered Class VI wells. A CO2-EOR facility considering a transitioning from tertiary oil recovery to injecting CO2 for the primary purpose of long-term storage is required to obtain a Class VI permit where this transition poses an increased risk to underground sources of drinking water. This study considers how transitioning operations from CO2-EOR to storage can impact reservoir plume and pressure transient in the storage envelope, and how these changes could impact area of review and potential unwanted fluid migration. We developed a case study to assess subsurface response and leakage risks associated with a representative, hypothetical operation in a carbonate reservoir. This reservoir transitions from tertiary hydrocarbon recovery to dedicated GCS. Reservoir simulations were run for a set of credible CO2-EOR scenarios to estimate distributions of fluids phases and pressures throughout the model domain after CO2 flooding as well as forecasting the behavior of the reservoir after the transition to a dedicated storage phase. The evolutions from all simulated scenarios were used as the basis for leakage risk quantification using the National Risk Assessment Partnership’s Open-Source Integrated Assessment Model (NRAP-Open-IAM) with a novel reduced-order model to estimate time-dependent leakage of CO2, brine, and hydrocarbon fluids through potentially leaky wells. Results include a description of reservoir response, an estimate of the areal extent that could potentially be impacted by leakage to underground sources of drinking water, and estimates of the magnitude of potential leakage. Considerations for dedicated storage injection well selection, injectivity, and injection scheme performance and potential leakage risk are presented, with implications for risk assessment of well transition discussed. This study presents a risk-based workflow for the Class II to Class VI well transition. Integrating credible numerical simulation of viable CO2-EOR to dedicated CO2 storage with quantitative risk assessment tools, such as the NRAP-Open-IAM, will provide a valuable means to devise operational scenarios and inform decision-making related to storage benefit, leakage risk, and liability. Presented at the SPE/AAPG/SEG Carbon Capture Utilization and Storage Conference in Houston, TX, March 11-13, 2024.

Liu, Guoxiang↗
DOE OSTI2017

Sensitivity of Induced Seismic Sequences to Rate-and-State Frictional Processes

It is well established that subsurface injection of fluids increases pore fluid pressures that may lead to shear failure along a preexisting fault surface. Concern among oil and gas, geothermal, and carbon storage operators has risen dramatically over the past decade due to the increase in the number and magnitude of induced earthquakes. Efforts to mitigate the risk associated with injection-induced earthquakes include modeling of the interaction between fluids and earthquake faults. Here we investigate this relationship with simulations that couple a geomechanical reservoir model and RSQSim, a physics-based earthquake simulator. RSQSim employs rate- and state-dependent friction (RSF) that enables the investigation of the time-dependent nature of earthquake sequences. We explore the effect of two RSF parameters and normal stress on the spatiotemporal characteristics of injection-induced seismicity. We perform >200 simulations to systematically investigate the effect of these model components on the evolution of induced seismicity sequences and compare the spatiotemporal characteristics of our synthetic catalogs to observations of induced earthquakes. We find that the RSF parameters control the ability of seismicity to migrate away from the injection well, the total number and maximum magnitude of induced events. Additionally, the RSF parameters control the occurrence/absence of premonitory events. Finally, we find that earthquake stress drops can be modulated by the normal stress and/or the RSF parameters. Insight gained from this study can aid in further development of models that address best practice protocols for injection operations, site-specific models of injection-induced earthquakes, and probabilistic hazard and risk assessments.

58 GEOSCIENCES↗
DOE OSTI2025

Pulsar’s Application in Energy Systems: Review of Current Status, Challenges, and Opportunities

To accelerate progress toward the realization of advanced energy systems, this review explores the potential of pulsar technology to create a more stable, economical, and environmentally friendly energy infrastructure. Pulsars, with their precise and reliable timing characteristics, have emerged as a promising tool for enhancing energy systems. This review begins by examining the development history of pulsar technology, shedding light on its evolution and the milestones achieved. It then provides a comprehensive summary of the current state of research, highlighting recent advancements and breakthroughs in this field. It also explores transformative pulsar applications in energy systems, including improved grid stability, advanced energy synchronization, and efficient energy storage management. However, implementing pulsar-related technologies presents significant technical, economic, and operational challenges. This review examines these hurdles and proposes strategies to overcome them, emphasizing the need for innovation, interdisciplinary collaboration, and supportive policies to fully integrate pulsar technologies into sustainable energy systems.

application↗
DOE OSTI2021

Towards high-precision parton distributions from lattice QCD via distillation

We apply the Distillation spatial smearing program to the extraction of the unpolarized isovector valence PDF of the nucleon. The improved volume sampling and control of excited-states afforded by distillation leads to a dramatically improved determination of the requisite Ioffe-time Pseudo-distribution (pITD). The impact of higher-twist effects is subsequently explored by extending the Wilson line length present in our non-local operators to one half the spatial extent of the lattice ensemble considered. The valence PDF is extracted by analyzing both the matched Ioffe-time Distribution (ITD), as well as a direct matching of the pITD to the PDF. Through development of a novel prescription to obtain the PDF from the pITD, we establish a concerning deviation of the pITD from the expected DGLAP evolution of the pseudo-PDF. The presence of DGLAP evolution is observed once more following introduction of a discretization term into the PDF extractions. Observance and correction of this discrepancy further highlights the utility of distillation in such structure studies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

An Anisotropic Yield and Damage Material Model to Improve the Contact Pressure Analysis in a Biomass Shredding System

Size reduction systems used in biomass processing break biomass into smaller pieces by utilizing the kinetic energy from the sharp rotating blades. Abrasive and/or erosive wear caused by biomass comminution results in blade wear of the sharp edged cutters, deteriorating the process efficiency. Here, this study aims to optimize the blade design and improve the system efficiency by attempting to understand the interactions between the blades and biomass particles. Since real-time monitoring of these interactions is impractical during operation, mechanical simulations offer a viable alternative for investigating the shredding process. Yet, the irregular geometry and complex mechanical properties of biomass—such as the anisotropic nature of woodchips and their nonlinear fracture behavior—pose significant challenges for accurately simulating contact pressure. In this work an anisotropic yield material model, along with a damage initiation and evolution function, is applied to the woodchip particle to study the contact pressure on shredder blade, offering a scientific basis for improved blade design and process efficiency. This approach can be extended to other biomass processing systems with similar anisotropic feedstocks, making it a valuable tool for advancing sustainable biomass utilization.

09 - BIOMASS FUELS↗
DOE OSTI2026

In-Situ TEM Molten Salt Corrosion

Molten salt reactors (MSRs) offer a compelling pathway for next-generation nuclear energy, with advantages in thermal efficiency, inherent safety, and flexible fuel management. Yet, halide-based molten salts introduce significant materials challenges, particularly alloy corrosion. Alloy performance in these environments ultimately depends on understanding how corrosion initiates and progresses at the nanoscale, however most existing models rely on post-exposure characterization, leaving degradation mechanisms largely inferred rather than directly observed. NiCr alloys have garnered interest in MSRs applications as the Ni-based matrix provides strength and creep resistance, while Cr content offers oxidation resistance in air. However, NiCr corrosion resistance in chloride salts has proven poor due to preferential chromium dissolution, the formation of Cr-depleted pathways, and grain-boundary attack. This work aims to directly visualize corrosion of Ni-20Cr exposed to LiCl-KCl using in-situ Transmission Electron Microscopy (TEM) to capture real-time microstructural evolution during corrosion. Experiments will be performed at ~800 °C under controlled pressure conditions while utilizing Energy-Dispersive X-ray Spectroscopy (EDS) to analyze elemental redistribution. Observation of chromium depletion fronts, associated surface restructuring, and localized chloride enrichment are expected. Ultimately, this study is expected to provide a link between microscale processes and the macroscopic degradation behaviors relevant to MSR operation in advanced reactor environments. Simultaneously, this approach enables future in-situ investigations regarding alloy composition, salt chemistry, and their influence on corrosion pathways and long-term stability.?

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Snow ALbedo eVOlution (SALVO) Campaign Snow Depth and Related Surface Properties from April - June, 2024 in Utqiagivk, AK

Detailed transects of snow depths and related measurements were made with a magnaprobe along fixed lines in Utqiagvik, AK. The operator measures snow depth by plunging a rod with a sliding basket into the snow and pressing a trigger. At this point, the data logger records the distance between the tip of the rod and the height of the basket, the measurement number, the time, and the geographic location of the measurement. To measure snow depth, the rod tip must be placed at the snow-ground or snow-sea ice interface. The interface can be hard or soft; in the latter case, it is possible to “over-probe”, producing a snow depth that is too high. At times, the probe was also used to measure the depths of other interfaces within the snowpack (for example, the depth to persistent ice lenses) or the water depths of ponds atop the tundra or sea ice. When these alternative depth measurements were made, the operator recorded the location, measurement number, and composition of the alternative depth measurement in a field notebook. The data logger on the probe stores several thousand points. Data is downloaded to a computer at the end of a day or several days. Probes: We used 2 magnaprobes identified as GEO1 and GEODEL with the following serial numbers: S/N 20240416 (GEO1) and S/N P48066 (GEODEL). Note : There are three data levels available with this dataset: b3, b4, and a6. New users of these data are strongly encouraged to use the level a6 or b4 data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A stochastic solver based on the residence time algorithm for crystal plasticity models

Abstract The deformation of crystalline materials by dislocation motion takes place in discrete amounts determined by the Burgers vector. Dislocations may move individually or in bundles, potentially giving rise to intermittent slip. This confers plastic deformation with a certain degree of variability that can be interpreted as being caused by stochastic fluctuations in dislocation behavior. However, crystal plasticity (CP) models are almost always formulated in a continuum sense, assuming that fluctuations average out over large material volumes and/or cancel out due to multi-slip contributions. Nevertheless, plastic fluctuations are known to be important in confined volumes at or below the micron scale, at high temperatures, and under low strain rate/stress deformation conditions. Here, we develop a stochastic solver for CP models based on the residence-time algorithm that naturally captures plastic fluctuations by sampling among the set of active slip systems in the crystal. The method solves the evolution equations of explicit CP formulations, which are recast as stochastic ordinary differential equations and integrated discretely in time. The stochastic CP model is numerically stable by design and naturally breaks the symmetry of plastic slip by sampling among the active plastic shear rates with the correct probability. This can lead to phenomena such as intermittent slip or plastic localization without adding external symmetry-breaking operations to the model. The method is applied to body-centered cubic tungsten single crystals under a variety of temperatures, loading orientations, and imposed strain rates.

42 ENGINEERING↗
DOE OSTI2016

Applications of rigged Hilbert spaces in quantum mechanics and signal processing

Simultaneous use of discrete and continuous bases in quantum systems is not possible in the context of Hilbert spaces, but only in the more general structure of rigged Hilbert spaces (RHS). In addition, the relevant operators in RHS (but not in Hilbert space) are a realization of elements of a Lie enveloping algebra and support representations of semigroups. We explicitly construct here basis dependent RHS of the line and half-line and relate them to the universal enveloping algebras of the Weyl-Heisenberg algebra and su(1, 1), respectively. The complete sub-structure of both RHS and of the operators acting on them is obtained from their algebraic structures or from the related fractional Fourier transforms. This allows us to describe both quantum and signal processing states and their dynamics. Two relevant improvements are introduced: (i) new kinds of filters related to restrictions to subspaces and/or the elimination of high frequency fluctuations and (ii) an operatorial structure that, starting from fix objects, describes their time evolution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

The roles of drift and control field constraints upon quantum control speed limits

In this work we derive a lower bound for the minimum time required to implement a target unitary transformation through a classical time-dependent field in a closed quantum system. The bound depends on the target gate, the strength of the internal Hamiltonian and the highest permitted control field amplitude. These findings reveal some properties of the reachable set of operations, explicitly analyzed for a single qubit. Moreover, for fully controllable systems, we identify a lower bound for the time at which all unitary gates become reachable. We use numerical gate optimization in order to study the tightness of the obtained bounds. It is shown that in the single qubit case our analytical findings describe the relationship between the highest control field amplitude and the minimum evolution time remarkably well. Finally, we discuss both challenges and ways forward for obtaining tighter bounds for higher dimensional systems, offering a discussion about the mathematical form and the physical meaning of the bound.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗