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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Spatially quasi-periodic water waves of finite depth

We present a numerical study of spatially quasi-periodic gravity-capillary waves of finite depth in both the initial value problem and travelling wave settings. We adopt a quasi-periodic conformal mapping formulation of the Euler equations, where one-dimensional quasi-periodic functions are represented by periodic functions on a higher-dimensional torus. We compute the time evolution of free surface waves in the presence of a background flow and a quasi-periodic bottom boundary and observe the formation of quasi-periodic patterns on the free surface. Two types of quasi-periodic travelling waves are computed: small-amplitude waves bifurcating from the zero-amplitude solution and larger-amplitude waves bifurcating from finite-amplitude periodic travelling waves. We derive weakly nonlinear approximations of the first type and investigate the associated small-divisor problem. We find that waves of the second type exhibit striking nonlinear behaviour, e.g. the peaks and troughs are shifted non-periodically from the corresponding periodic waves due to the activation of quasi-periodic modes.

Science & Technology - Other Topics↗
DOE OSTI2024

Separable physics-informed DeepONet: Breaking the curse of dimensionality in physics-informed machine learning

The deep operator network (DeepONet) has shown remarkable potential in solving partial differential equations (PDEs) by mapping between infinite-dimensional function spaces using labeled datasets. However, in scenarios lacking labeled data, the physics-informed DeepONet (PI-DeepONet) approach, which utilizes the residual loss of the governing PDE to optimize the network parameters, faces significant computational challenges, particularly due to the curse of dimensionality. This limitation has hindered its application to high-dimensional problems, making even standard 3D spatial with 1D temporal problems computationally prohibitive. Additionally, the computational requirement increases exponentially with the discretization density of the domain. Here, to address these challenges and enhance scalability for high-dimensional PDEs, we introduce the Separable physics-informed DeepONet (Sep-PI-DeepONet). This framework employs a factorization technique, utilizing sub-networks for individual one-dimensional coordinates, thereby reducing the number of forward passes and the size of the Jacobian matrix required for gradient computations. By incorporating forward-mode automatic differentiation (AD), we further optimize computational efficiency, achieving linear scaling of computational cost with discretization density and dimensionality, making our approach highly suitable for high-dimensional PDEs. We demonstrate the effectiveness of Sep-PI-DeepONet through three benchmark PDE models: the viscous Burgers’ equation, Biot’s consolidation theory, and a parameterized heat equation. Our framework maintains accuracy comparable to the conventional PI-DeepONet while reducing training time by two orders of magnitude. Notably, for the heat equation solved as a 4D problem, the conventional PI-DeepONet was computationally infeasible (estimated 289.35 h), while the Sep-PI-DeepONet completed training in just 2.5 h. These results underscore the potential of Sep-PI-DeepONet in efficiently solving complex, high-dimensional PDEs, marking a significant advancement in physics-informed machine learning.

Neural operator↗
DOE OSTI2022

An investigation of the failure modes in U-10Mo monolithic fuel irradiated to high burnup

Here, this study investigated possible failure mode sequences in U-10Mo monolithic fuel irradiated to very-high-burnup. The U-Mo fuel plate used in this study was characterized using scanning electron microscopy (SEM), wavelength dispersive spectroscopy (WDS), and image analysis techniques to investigate how microstructural features may initiate crack formation and propagation through the microstructure, potentially leading to blistering. Distinctly large fission gas pores (FGPs) were observed to preferentially align 5-15µm away from the U-10Mo/Zr interface, parallel to the Zr diffusion barrier. Preferential growth, alignment, and interconnection of FGP could initiate blistering in the fuel plate by creating a fission gas channel, parallel to the U-Mo/Zr interface. FGP alignment in the fuel phase near the U-Mo/Zr interface is believed to be one of the precursors to crack and Type 2 blister formation in monolithic U-Mo fuels. The chemical maps revealed differences in fission product behavior near the U-Mo/Zr interface such that Nd remains in the fuel matrix at the FGP sites. On the other hand, other fission products like Xe and Cs can get trapped in FGPs by Nd in the fuel phase and/or diffuse toward the Zr diffusion barrier.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Engineering an effective three-spin Hamiltonian in trapped-ion systems for applications in quantum simulation

Trapped-ion quantum simulators, in analog and digital modes, are considered a primary candidate to achieve quantum advantage in quantum simulation and quantum computation. The underlying controlled ion–laser interactions induce all-to-all two-spin interactions via the collective modes of motion through Cirac–Zoller or Mølmer–Sørensen schemes, leading to effective two-spin Hamiltonians, as well as two-qubit entangling gates. In this work, the Mølmer–Sørensen scheme is extended to induce three-spin interactions via tailored first- and second-order spin–motion couplings. The scheme enables engineering single-, two-, and three-spin interactions, and can be tuned via an enhanced protocol to simulate purely three-spin dynamics. Analytical results for the effective evolution are presented, along with detailed numerical simulations of the full dynamics to support the accuracy and feasibility of the proposed scheme for near-term applications. With a focus on quantum simulation, the advantage of a direct analog implementation of three-spin dynamics is demonstrated via the example of matter-gauge interactions in the U(1) lattice gauge theory within the quantum link model. The mapping of degrees of freedom and strategies for scaling the three-spin scheme to larger systems, are detailed, along with a discussion of the expected outcome of the simulation of the quantum link model given realistic fidelities in the upcoming experiments. The applications of the three-spin scheme go beyond the lattice gauge theory example studied here and include studies of static and dynamical phase diagrams of strongly interacting condensed-matter systems modeled by two- and three-spin Hamiltonians.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Planck constraints on the tensor-to-scalar ratio

In this work, we present constraints on the tensor-to-scalar ratio r using Planck data. We use the latest release of Planck maps (PR4), processed with the NPIPE code, which produces calibrated frequency maps in temperature and polarization for all Planck channels from 30 GHz to 857 GHz using the same pipeline. We computed constraints on r using the BB angular power spectrum, and we also discuss constraints coming from the TT spectrum. Given Planck's noise level, the TT spectrum gives constraints on r that are cosmic-variance limited (with $\sigma$ r = 0.093), but we show that the marginalized posterior peaks towards negative values of r at about the 1.2$\sigma$ level. We derived Planck constraints using the BB power spectrum at both large angular scales (the 'reionization bump') and intermediate angular scales (the 'recombination bump') from $\ell$=2 to 150, and find a stronger constraint than that from TT, with $\sigma$ r = 0.069. The Planck BB spectrum shows no systematic bias, and is compatible with zero, given both the statistical noise and the systematic uncertainties. The likelihood analysis using B modes yields the constraint r < 0.158 at 95% confidence using more than 50% of the sky. This upper limit tightens to r < 0.069 when Planck EE, BB, and EB power spectra are combined consistently, and it tightens further to r < 0.056 when the Planck TT power spectrum is included in the combination. Finally, combining Planck with BICEP2/Keck 2015 data yields an upper limit of r < 0.044.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Field Validation of Air-Source Heat Pumps for Cold Climates

Heating energy is the largest end-use for U.S. residential buildings accounting for approximately one-third of residential building energy consumption (EIA 2021). Historically, air-source heat pumps have been limited to temperate climates because of subpar performance at extremely cold outdoor air temperatures. However, recent advances to cold-climate air-source heat pump technology, which typically rely on inverter-driven, variable-speed compressors and variable-speed fans, have significantly improved low-temperature heat pump performance enabling the technology to save energy for many homes in cold climates. The primary objective of this project was to measure in-field performance of centrally ducted, variable-capacity air-source heat pumps in cold climates to validate performance and develop field-based performance maps. The project focused on quantifying heat pump performance at cold temperatures. The sites identified for the study were primarily located in the Northwest United States since homes in the region tend to have all-electric space heating systems and high-efficiency heat pumps have been incentivized in the region for several years. NREL partnered with Ecotope, Inc., a small energy consulting firm located in Seattle, WA, for site recruitment, monitoring equipment installation, data quality management. All the sites included in the study had previously installed a high-efficiency, central heat pump system. One site was in a Denver, CO suburb, which was the only dual fuel heat pump in the study. We used airside and power measurements, collected at 5-second intervals, to quantify heat pump capacity, coefficient of performance (COP), and auxiliary heater energy consumption. We developed algorithms to automatically determine the heat pump operating mode including defrost and auxiliary heating operation. A whole-house thermal and duct audit was completed during the initial site visit to estimate winter heating loads and assess heat pump sizing. Whole-home heating design loads were calculated at ASHRAE 99% design temperatures and compared to manufacturer-reported maximum capacities to assess the heat pump sizing at each site.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2012

Spacecraft Status Report: 2001 Mars Odyssey

Fourth extension of Odyssey mission continues, with orbital science investigations and relay services for landed assets. Mitigation of aging IMU and UHF transceiver. ODY has responded to Program Office/board recommendations. All Stellar mode has been certified for flight operations and is now standard for nadir point operations on the A-side. Investigating options to mitigate aging Battery. Gradual transfer to a later LMST orbit node to shorten eclipse durations. Reduce spacecraft loads during the longer eclipses. Optimize battery performance. ODY is preparing for E5 Proposal and Planetary Science Division FY12 Senior Review activities. ODY is on track to support MSL EDL and surface operations. ODY is managing consumables in order to remain in operations until 2020.

inter-annual variations↗
NASA NTRS2019

LiteBIRD: An All-Sky Cosmic Microwave Background Probe of Inflation

The LiteBIRD mission will map polarized fluctuations in the cosmic microwave background (CMB) to search for the signature of gravitational waves from inflation, potentially opening a window on the Universe a fraction of a second after the Big Bang. CMB measurements from space give access to the largest angular scales and the full frequency range to constrain Galactic foregrounds, and LiteBIRD has been designed to take best advantage of the unique window of space. LiteBIRD will have a powerful ability to separate Galactic foreground emission from the CMB due to its 15 frequency bands spaced between 40 and 402 GHz and sensitive 100-mK bolometers. LiteBIRD will provide stringent control of systematic errors due to the benign thermal environment at the second Lagrange point, L2, 20-K rapidly rotating half-wave plates on each telescope, and the ability to crosscheck its results by measuring both the reionization and recombination peaks in the B-mode power spectrum. LiteBIRD would be the next step in the series of CMB space missions, COBE, WMAP, and Planck, each of which has given landmark scientific discoveries.

Lee, Adrian T.↗
NASA NTRS2007

Persistent Nature of Secondary Diurnal Modes of Precipitation over Oceanic and Continental Regimes

This investigation seeks a better understanding of the assorted mechanisms controlling the global distribution of precipitation diurnal variability based on the use of Tropical Rainfall Measuring Mission (TRMM) microwave radiometer and radar data. The horizontal distributions of precipitation's diurnal cycle are derived from eight years of TRMM Microwave Imager (TMI) and Precipitation Radar (PR) measurements involving three TRMM standard rain rate retrieval algorithms -- the resultant distributions analyzed at various spatiotemporal scales. The results reveal the prominent and expected late-evening to early-morning (LE-EM) precipitation maxima over oceans and the counterpart prominent and expected mid- to late-afternoon (MLA) maxima over continents. Moreover, and not generally recognized, the results reveal a widespread distribution of secondary maxima occurring over both oceans and continents -- maxima which generally mirror their counterpart regime's behavior. That is, many ocean regions exhibit clearcut secondary MLA precipitation maxima while many continental regions exhibit just as evident secondary LE-EM maxima. This investigation is the first comprehensive study of these globally prevalent secondary maxima and their widespread nature, a type of study only made possible when the analysis procedure is applied to a high-quality global-scale precipitation dataset. The characteristics of the secondary maxima are mapped and described on global grids using an innovative clock-face format, while a current study to be published at a later date provides physically-based explanations of the seasonal-regional distributions of the secondary maxima. In addition to an "explicit" maxima identification scheme, a "Fourier decomposition" maxima identification scheme is used to examine the amplitude and phase properties of the primary and secondary maxima -- as well as tertiary and quaternary maxima. Accordingly, the advantages, ambiguities, and pitfalls resulting from use of Fourier harmonic analysis are explained.

Yang, S.↗
DOE OSTI2025

Exploring Domain-Wall Pinning in Ferroelectrics via Automated High-Throughput Atomic Force Microscopy

Domain-wall dynamics in ferroelectric materials are strongly position-dependent, since each polar interface is locked into a unique local microstructure. This necessitates spatially resolved studies of wall pinning using scanning-probe microscopy techniques. The pinning centers and pre-existing domain walls are usually sparse within the image plane, precluding the use of dense hyperspectral imaging modes and requiring time-consuming human experimentation. Here, a large-area epitaxial PbTiO 3 film on cubic KTaO 3 was investigated to quantify the electric-field-driven dynamics of the polar–strain domain structures using ML-controlled automated piezoresponse force microscopy. Analysis of 1500 switching events reveals that domain-wall displacement depends not only on field parameters but also on the local ferroelectric–ferroelastic configuration. For example, twin boundaries in polydomains regions, like a 1 – /c+ ∥ a 2 – /c – , stay pinned up to a certain level of bias magnitude and change only marginally as the bias increases from 20 to 30 V, whereas single-variant boundaries, like the a 2 + /c + ∥ a 2 – /c – stack, are already activated at 20 V. These statistics on the possible ferroelectric and ferroelastic wall orientations, together with the automated high-throughput AFM workflow, can be distilled into a predictive map that links domain configurations to pulse parameters. Here, this microstructure-specific rule set forms the foundation for the design of ferroelectric memories.

automated scanning probe microscopy↗
DOE OSTI2025

Combining Theory and Experiment to Map the Atomic-Level Structure–Energy Pathways of Adsorbate-Mediated Phase Changes in a Cooperatively Flexible Metal–Organic Framework

An important subclass of metal–organic frameworks (MOFs) exhibits cooperative flexibility, wherein individual crystallites undergo global structural phase changes in response to external stimuli. Where cooperative flexibility results in reversible changes between crystalline states of distinct accessible porosity, these frameworks can exhibit rare yet desirable behaviors that cannot be explained by local dynamics alone. Yet, the chemical and structural origins of cooperative flexibility and how frameworks undergo these reversible phase changes at the atomic level remain poorly understood. Deliberate design for specific applications is therefore exceedingly difficult, and there is great impetus to develop a fundamental understanding of this phenomenon. Here, an effective and widely accessible computational approach is developed, which is designed to provide microscopic resolution via direct comparison to experimental data along the desorption-guided pathway. The strategy is applied to explain the desorption-induced phase change in an experimentally well-characterized framework, CdIF-13 (sod-Cd(benzimidazolate)2), where experiment alone was unable to resolve the atomistically detailed phase change landscape. Our findings reveal that the cooperative phase change pathways are adsorbate dependent with thermodynamics of intermediate structural states dictated by a nuanced interplay of ligand orientation, skeletal symmetry, and modes of surface adsorption. The results reveal that this isotropically flexible framework is “chaperoned” through a complex energy landscape by specific adsorbates, revealed by the reported computational approach with atomic-level insight and validated by experimentally determined structures. Thus, this work facilitates both understanding and future design of flexible materials for applications in gas storage, transport, delivery, and separation technologies.

03 NATURAL GAS↗
DOE OSTI2020

In situ indentation and high cycle tapping deformation responses in a nanolaminate crystalline/amorphous metal composite

The incorporation of nanostructured and amorphous metals into modern applications is reliant on the understanding of deformation and failure modes in constrained conditions. To study this, a 105 nm crystalline Cu/160 nm amorphous Cu 45 Zr 55 (at.%) multilayer structure was fabricated with the two crystalline layers sputter deposited between the top-middle-bottom amorphous layers and prepared to electron transparency. The multilayer was then in situ indented either under a single load to a depth of ~ 100 nm (max load of ~ 100 μN) or held at 20 μN and then repeatedly indented with an additional 5 μN up to 20,000 cycles in a transmission electron microscope to compare the deformation responses in the nanolaminate. For the single indentation test, the multilayer showed serrated load-displacement behavior upon initial indentation inductive of shear banding. Additionally, at an indentation depth of ~ 32 nm, the multilayer exhibited perfect plastic behavior and no strain hardening. Both indented and fatigue-indented films revealed diffraction contrast changes with deformation. Subsequent Automated Crystal Orientation Mapping (ACOM) measurements confirmed and quantified global texture changes in the crystalline layers with specifically identified grains revealing rotation. Using a finite element model, the in-plane displacement vectors under the indent mapped conditions where ACOM determined grain rotation was observed, indicating the stress flow induced grain rotation. Furthermore, the single indented Cu layers also exhibited evidence of deformation induced grain growth, which was not evident in the fatigue-indented Cu based multilayer. Finally, the single indented multilayer retained a significant plastic crater in the upper most amorphous layer that directly contacted the indenter; a negligible crater impression in the same region was observed in the fatigued tested multilayer. These differences are explained by the different loading methods, applied load, and deformation mechanisms experienced in the multilayers.

36 MATERIALS SCIENCE↗
NASA NTRS2024

Machine Learning Based Aerosol and Ocean Color Joint Retrieval Algorithm for Multiangle Polarimeters over Coastal Waters

NASA’s Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) mission, recently launched in February 2024, carries two multiangle polarimeters (MAPs): the UMBC Hyper-Angular Rainbow Polarimeter (HARP2) and SRON Spectropolarimeter for Planetary Exploration One (SPEXone). Measurements from these MAPs will greatly advance ocean ecosystem and aerosol studies as their measurements contain rich information on microphysical properties of aerosols and hydrosols. The Multi-Angular Polarimetric Ocean coLor (MAPOL) joint retrieval algorithm has been developed to retrieve aerosol and ocean color information, which uses a vector radiative transfer (RT) model as the forward model. The RT model is computationally expensive, which makes processing a large amount of data challenging. FastMAPOL was developed to expedite retrieval using neural networks to replace the RT forward models. As a prototype study, FastMAPOL was initially limited to open ocean applications where the ocean Inherent Optical Properties (IOPs) were parameterized in terms of one parameter: chlorophyll-a concentration (Chla). In this study we further expand the FastMAPOL joint retrieval algorithm to incorporate NN based forward models for coastal waters, which use multi-parameter bio-optical models. In addition, aerosols are represented by six components, i.e., fine mode non absorbing insoluble (FNAI), brown carbon (BrC), black carbon (BC), fine mode non absorbing soluble (FNAS), sea salt (SS) and non-spherical dust (Dust). Sea salt and dust are coarse mode aerosols, while the other components are in the fine mode. The sizes and spectral refractive indices are fixed for each aerosol component, while their abundances are retrievable. The multi-parameter bio-optical model and aerosol components are chosen to represent the coastal marine environment. The retrieval algorithm is applied to synthetic measurements in three different configurations ofMAPs in the PACE mission: HARP2 observations only, SPEXone observations only and combined HARP2 and SPEXone observations. The retrieval results from synthetic measurements show that for aerosol retrieval the SPEXone-only configuration works equally well with the HAPR2-only configuration. On the other hand, for ocean color retrieval the SPEXone instrument provides better information due to its larger spectral coverage. For the surface parameters (wind speed), HARP2 measurements provide better information due to its wide field of view. Combined measurement configuration HARP2+SPEXone performed the best to retrieve all aerosol, ocean color and surface parameters. We also studied the impact of sun glint to aerosol and ocean color retrievals. The retrieval test revealed that wind speed and absorbing aerosol retrieval improves significantly when including measurements at glint geometries. Furthermore, the retrieval algorithm is equipped with modules for atmospheric correction and bidirectional reflectance distribution (BRDF) correction to obtain the remote sensing reflectance, which enables ocean biogeochemistry studies using the PACE polarimeter data.

PACE↗
NASA NTRS2012

Mapping the Topography of Mercury with MESSENGER Laser Altimetry

The Mercury Laser Altimeter onboard MESSENGER involves unique design elements that deal with the challenges of being in orbit around Mercury. The Mercury Laser Altimeter (MLA) is one of seven instruments on NASA's MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft. MESSENGER was launched on 3 August 2004, and entered into orbit about Mercury on 18 March 2011 after a journey through the inner solar system. This involved six planetary flybys, including three of Mercury. MLA is designed to map the topography and landforms of Mercury's surface. It also measures the planet's forced libration (motion about the spin axis), which helps constrain the state of the core. The first science measurements from orbit taken with MLA were made on 29 March 2011 and continue to date. MLA had accumulated about 8.3 million laser ranging measurements to Mercury's surface, as of 31 July 2012, i.e., over six Mercury years (528 Earth days). Although MLA is the third planetary lidar built at the NASA Goddard Space Flight Center (GSFC), MLA must endure a much harsher thermal environment near Mercury than the previous instruments on Mars and Earth satellites. The design of MLA was derived in part from that of the Mars Orbiter Laser Altimeter on Mars Global Surveyor. However, MLA must range over greater distances and often in off-nadir directions from a highly eccentric orbit. In MLA we use a single-mode diode-pumped Nd:YAG (neodymium-doped yttrium aluminum garnet) laser that is highly collimated to maintain a small footprint on the planet. The receiver has both a narrow field of view and a narrow spectral bandwidth to minimize the amount of background light detected from the sunlit hemisphere of Mercury. We achieve the highest possible receiver sensitivity by employing the minimum receiver detection threshold.

planetary lidar↗
NASA NTRS1989

Coronae on Venus observations and models of origin

The Venera 15/16 spacecraft revealed a number of features of unknown origin including coronae, elongate to circular structures with a complex interior surrounded by an annulus of concentric ridges. Eighteen coronae were identified in Venera 15/16 data of Venus; an additional thirteen possible coronae are found in Pioneer Venus and Arecibo data. Coronae, with maximum widths of 160 to over 650 km, are found primarily in two clusters in the Northern Hemisphere located to the east and west of Ishtar Terra. Another possible cluster is located in Themis Regio in the Southern Hemisphere. The majority of coronae are at least partially raised less than 1.5 km above the surrounding region, and over half are partially surrounded by a peripheral trough. A sequence of events for coronae has been determined through mapping. Prior to corona formation, regional compression or extension creates bands of lineaments along which coronae tend to later form. During the early stages of corona formation, relatively raised topography is produced by uplift and volcanic construction. The evolution of coronae and their general characteristics have been compared to two models of corona origin: hotspots and sinking mantle diapirs. In the hotspot or rising mantle diapir model, heating and melting at depth create uplift at the surface. Uplift is accompanied by central extension, facilitating volcanism. Gravitational relaxation of the uplifted region follows producing the compressional features within the annulus and the peripheral trough. Both models can predict the major characteristics and evolutionary sequence of coronae. The sinking diapir model does predict an early-time low and central compression as well as broadening and shallowing of the peripheral trough with time, all of which are not observed at current data resolution. In addition, the sinking mantle diapir mode predicts more simultaneous formation of the high topography, annulus and trough unlike the hotspot or rising mantle diapir mode. High resolution Magellan data will be used to distinguish between the two models of corona origin.

Stofan, E. R.↗
DOE OSTI2022

A conservative implicit-PIC scheme for the hybrid kinetic-ion fluid-electron plasma model on curvilinear meshes

We report that the hybrid kinetic-ion fluid-electron plasma model is widely used to study challenging multi-scale problems in space and laboratory plasma physics. Here, a novel conservative scheme for this model employing implicit particle-in-cell techniques is extended to arbitrary coordinate systems via curvilinear maps from logical to physical space. The scheme features a fully non-linear electromagnetic formulation with a multi-rate time advance - including sub-cycling and orbit-averaging for the kinetic ions. By careful choice of compatible particle-based kinetic-ion and mesh-based fluid-electron discretizations in curvilinear coordinates, as well as particle-mesh interpolations and implicit midpoint time advance, the scheme is proven to conserve total energy for arbitrary curvilinear meshes. In the electrostatic limit, the method is also proven to conserve total momentum for arbitrary curvilinear meshes. Although momentum is not conserved for arbitrary curvilinear meshes in the electromagnetic case, it is for an important subset of Cartesian tensor-packed meshes. The scheme and its novel conservation properties are demonstrated for several challenging numerical problems using different curvilinear meshes, including a merging flux-rope simulation for a space weather application, and a helical m = 1 mode simulation for magnetic fusion energy application.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

The effects of heat treatment on the response of WE43 Mg alloy: crystal plasticity finite element simulation and SEM-DIC experiment

The present report addressed the effects of heat treatment on the mechanical response of a WE43 Mg alloy using an integrated framework of SEM-DIC experiment and CPFE simulation. Both macroscopic responses including yield strength, ultimate strength, ductility, and microscopic responses, including local displacement and strain maps, were experimentally investigated. The focus of this work is to use the CPFE simulation as an integrated computational tool to study the effects of heat treatment. The CPFE framework was evaluated using the local fields of displacement and strain obtained from the SEM-DIC experiment rather than the conventional scheme of using macroscopic responses at different loading directions. Subsequently, the information which is available using CPFE, such as the critical resolved shear stress (CRSS) and relative slip activity, was used to study the effects of heat treatment on the response of WE43 Mg alloy. The contributions of different strengthening mechanisms on the CRSS were addressed. The results show that effects of heat treatment can be captured using the predominant mechanisms of the grain size effect and the influence of precipitates. Finally, it has been shown that classical Hall-Petch in which one constant can capture the size effects, should be modified. To do so, each deformation mode should have a unique Hall-Petch constant, which are calculated here for the WE43 Mg alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Toward monochromated sub-nanometer UEM and femtosecond UED

A preliminary design of a mega-electron-volt (MeV) monochromator with 10 –5 energy spread for ultrafast electron diffraction (UED) and ultrafast electron microscopy (UEM) is presented. Such a narrow energy spread is advantageous in both the single shot mode, where the momentum resolution in diffraction is improved, and the accumulation mode, where shot-to-shot energy jitter is reduced. In the single-shot mode, we numerically optimized the monochromator efficiency up to 13% achieving 1.3 million electrons per pulse. In the accumulation mode, to mitigate the efficiency degradation caused by the shot-to-shot energy jitter, an optimized gun phase yields only a mild reduction of the single-shot efficiency, therefore the number of accumulated electrons nearly proportional to the repetition rate. Inspired by the recent work of Qi et al. (Phys Rev Lett 124:134803, 2020), a novel concept of applying reverse bending magnets to adjust the energy-dependent path length difference has been successfully realized in designing a MeV monochromator to achieve the minimum energy-dependent path length difference between cathode and sample. Thanks to the achromat design, the pulse length of the electron bunches and the energy-dependent timing jitter can be greatly reduced to the 10 fs level. The introduction of such a monochromator provides a major step forward, towards constructing a UEM with sub-nm resolution and a UED with ten-femtosecond temporal resolution. The one-to-one mapping between the electron beam parameter and the diffraction peak broadening enables a real-time nondestructive diagnosis of the beam energy spread and divergence. The tunable electric–magnetic monochromator allows the scanning of the electron beam energy with a 10 –5 precision, enabling online energy matching for the UEM, on-momentum flux maximizing for the UED and real-time energy measuring for energy-loss spectroscopy. A combination of the monochromator and a downstream chicane enables “two-color” double pulses with femtosecond duration and the tunable delay in the range of 10 to 160 fs, which can potentially provide an unprecedented femtosecond time resolution for time resolved UED.

36 MATERIALS SCIENCE↗