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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Design and simulation study of ultra-fast beam bunches split for three orthogonal planes high-energy electron dynamic radiography

Here a compact three orthogonal planes high-energy electron radiography system was proposed. One of the critical technologies, the ultra-fast beam bunches split from the bunch train are studied. The separated bunches could be transported to the three orthogonal planes of the target for dynamic radiography diagnostics. The key elements of the ultra-fast bunches split system are transverse deflecting cavity (TDC) and the twin septum magnet (TSM). The principle of TDC and TSM are briefly introduced. An example of the beam bunches split system for test experiment (40 MeV electron beam) with TDC and TSM is designed and studied by particle-tracking simulation and it confirms this method is valid and feasible. Especially with TSM, a compact three orthogonal planes radiography system can be realized. The evolution of the beam parameters along the beam line from simulation are investigated. The detailed design of the beam split system and beam dynamics simulation study are presented in this paper.

Zhao, Q. T.↗
DOE OSTI2020

Vortex phases and glassy dynamics in the highly anisotropic superconductor HgBa 2 CuO 4+δ

We present an extensive study of vortex dynamics in a high-quality single crystal of HgBa 2 CuO 4+ δ , a highly anisotropic superconductor that is a model system for studying the effects of anisotropy. From magnetization M measurements over a wide range of temperatures T and fields H , we construct a detailed vortex phase diagram. We find that the temperature-dependent vortex penetration field H p ( T ), second magnetization peak H smp ( T ), and irreversibility field H irr ( T ) all decay exponentially at low temperatures and exhibit an abrupt change in behavior at high temperatures T / T c >~0.5. By measuring the rates of thermally activated vortex motion (creep) S ( T , H ) = | d ln M ( T , H )/ d ln t |, we reveal glassy behavior involving collective creep of bundles of 2D pancake vortices as well as temperature- and time-tuned crossovers from elastic (collective) dynamics to plastic flow. Based on the creep results, we show that the second magnetization peak coincides with the elastic-to-plastic crossover at low T , yet the mechanism changes at higher temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Communication: Rate coefficients of the H + CH{sub 4} → H{sub 2} + CH{sub 3} reaction from ring polymer molecular dynamics on a highly accurate potential energy surface

The ring polymer molecular dynamics (RPMD) calculations are performed to calculate rate constants for the title reaction on the recently constructed potential energy surface based on permutation invariant polynomial (PIP) neural-network (NN) fitting [J. Li et al., J. Chem. Phys. 142, 204302 (2015)]. By inspecting convergence, 16 beads are used in computing free-energy barriers at 300 K ≤ T ≤ 1000 K, while different numbers of beads are used for transmission coefficients. The present RPMD rates are in excellent agreement with quantum rates computed on the same potential energy surface, as well as with the experimental measurements, demonstrating further that the RPMD is capable of producing accurate rates for polyatomic chemical reactions even at rather low temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

High-resolution observations of active region moss and its dynamics

The High Resolution Coronal Imager has provided the sharpest view of the EUV corona to date. In this paper, we exploit its impressive resolving power to provide the first analysis of the fine-scale structure of moss in an active region. The data reveal that the moss is made up of a collection of fine threads that have widths with a mean and standard deviation of 440 ± 190 km (FWHM). The brightest moss emission is located at the visible head of the fine-scale structure and the fine structure appears to extend into the lower solar atmosphere. The emission decreases along the features, implying that the lower sections are most likely dominated by cooler transition region plasma. These threads appear to be the cool, lower legs of the hot loops. In addition, the increased resolution allows for the first direct observation of physical displacements of the moss fine structure in a direction transverse to its central axis. Some of these transverse displacements demonstrate periodic behavior, which we interpret as a signature of kink (Alfvénic) waves. Measurements of the properties of the transverse motions are made and the wave motions have means and standard deviations of 55 ± 37 km for the transverse displacement amplitude, 77 ± 33 s for the period, and 4.7 ± 2.5 km s{sup –1} for the velocity amplitude. The presence of waves in the transition region of hot loops could have important implications for the heating of active regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Micro-Structured Sapphire Fiber Sensors for Simultaneous Measurements of High-T and Dynamic Gas Pressure in Harsh Environments

This is the final report for the program “Micro-Structured Sapphire Fiber Sensors for Simultaneous Measurements of High Temperature and Dynamic Gas Pressure in Harsh Environments”, funded by NETL, and performed by Missouri University of Science and Technology, Clemson University and University of Cincinnati from October 1, 2009 to September 30, 2014. Securing a sustainable energy economy by developing affordable and clean energy from coal and other fossil fuels is a central element to the mission of The U.S. Department of Energy’s (DOE) National Energy Technology Laboratory (NETL). To further this mission, NETL funds research and development of novel sensor technologies that can function under the extreme operating conditions often found in advanced power systems. The main objective of this research program is to conduct fundamental and applied research that will lead to successful development and demonstration of robust, multiplexed, microstructured silica and single-crystal sapphire fiber sensors to be deployed into the hot zones of advanced power and fuel systems for simultaneous measurements of high temperature and gas pressure. The specific objectives of this research program include: 1) Design, fabrication and demonstration of multiplexed, robust silica and sapphire fiber temperature and dynamic gas pressure sensors that can survive and maintain fully operational in high-temperature harsh environments. 2) Development and demonstration of a novel method to demodulate the multiplexed interferograms for simultaneous measurements of temperature and gas pressure in harsh environments. 3) Development and demonstration of novel sapphire fiber cladding and low numerical aperture (NA) excitation techniques to assure high signal integrity and sensor robustness.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2015

Runaway electron dynamics in tokamak plasmas with high impurity content

The dynamics of high energy runaway electrons is analyzed for plasmas with high impurity content. It is shown that modified collision terms are required in order to account for the collisions of the relativistic runaway electrons with partially stripped impurity ions, including the effect of the collisions with free and bound electrons, as well as the scattering by the full nuclear and the electron-shielded ion charge. The effect of the impurities on the avalanche runaway growth rate is discussed. The results are applied, for illustration, to the interpretation of the runaway electron behavior during disruptions, where large amounts of impurities are expected, particularly during disruption mitigation by massive gas injection. The consequences for the electron synchrotron radiation losses and the resulting runaway electron dynamics are also analyzed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

High temperature spin dynamics in linear magnetic chains, molecular rings, and segments by nuclear magnetic resonance

We present the room temperature proton nuclear magnetic resonance (NMR) nuclear spin-lattice relaxation rate (NSLR) results in two 1D spin chains: the Heisenberg antiferromagnetic (AFM) Eu(hfac){sub 3}NITEt and the magnetically frustrated Gd(hfac){sub 3}NITEt. The NSLR as a function of external magnetic field can be interpreted very well in terms of high temperature spin dynamics dominated by a long time persistence of the decay of the two-spin correlation function due to the conservation of the total spin value for isotropic Heisenberg chains. The high temperature spin dynamics are also investigated in Heisenberg AFM molecular rings. In both Cr{sub 8} closed ring and in Cr{sub 7}Cd and Cr{sub 8}Zn open rings, i.e., model systems for a finite spin segment, an enhancement of the low frequency spectral density is found consistent with spin diffusion but the high cut-off frequency due to intermolecular anisotropic interactions prevents a detailed analysis of the spin diffusion regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Rapid tempering to enhance dynamic performance of high and ultra-high strength steels

This study employed rapid, short-time duration (1 s) tempering to improve the dynamic performance of high-strength steel (HSS) and ultra-high-strength steel (UHSS), compared to quenched and conventionally (1800 s) tempered microstructures. Rapid tempering significantly improved the Charpy toughness of both steels compared to the conventionally tempered condition at an equivalent tempering parameter (TP) or hardness level. For conventionally tempered conditions, tempered martensite embrittlement was observed within the tempering temperature range of 200–400 °C, whereas rapid tempering exhibited increased Charpy toughness with increasing tempering temperature across all tempering conditions. Dynamic compression experiments indicated that rapid tempering led to improved ductility compared to the conventionally tempered condition at an equivalent TP. This work shows that the same rapid tempering strategy used for HSS is directly transferable to a higher-carbon UHSS and provides the first systematic evidence of improved strength-ductility combinations and cracking resistance under dynamic compression, supported by Kolsky bar experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2016

High-speed nanoscale characterization of dewetting via dynamic transmission electron microscopy

The dewetting of thin films can occur in either the solid or the liquid state for which different mass transport mechanisms are expected to control morphological changes. Traditionally, dewetting dynamics have been examined on time scales between several seconds to hours, and length scales ranging between nanometers and millimeters. The determination of mass transport mechanisms on the nanoscale, however, requires nanoscale spatial resolution and much shorter time scales. This study reports the high-speed observation of dewetting phenomena for kinetically constrained Ni thin films on crystalline SrTiO{sub 3} substrates. Movie-mode Dynamic Transmission Electron Microscopy (DTEM) was used for high-speed image acquisition during thin film dewetting at different temperatures. DTEM imaging confirmed that the initial stages of film agglomeration include edge retraction, hole formation, and growth. Finite element modeling was used to simulate temperature distributions within the DTEM samples after laser irradiation with different energies. For pulsed laser irradiation at 18 μJ, experimentally observed hole growth suggests that Marangoni flow dominates hole formation in the liquid nickel film. After irradiation with 13.8 μJ, however, the observations suggest that dewetting was initiated by nucleation of voids followed by hole growth through solid-state surface diffusion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Leader–follower fixed-time consensus of multi-agent systems with high-order integrator dynamics

The leader-follower fixed-time consensus of high-order multi-agent systems with external disturbances is investigated in this paper. A novel sliding manifold is designed to ensure that the tracking errors converge to zero in a fixed-time during the sliding motion. Then, a distributed control law is designed based on Lyapunov technique to drive the system states to the sliding manifold in finite-time independent of initial conditions. Finally, the efficiency of the proposed method is illustrated by numerical simulations.

42 ENGINEERING↗
DOE OSTI2026

High-pressure melt dynamics in shock-compressed titanium

In this work we study the high-pressure melting behavior of titanium using laser-driven shock compression with in situ femtosecond x-ray diffraction and molecular-dynamics simulations based on a machine-learned interatomic potential. The MD simulations predict the solid-liquid coexistence on the Hugoniot in the ∼111−124GPa range. Experimentally, we observe the first evidence of liquid at 86 GPa. We also observe pronounced microstructural changes with pressure, with strong grain refinement associated with the emergence of liquid, within the solid-liquid coexistence (∼110−126GPa). Above 126 GPa, we observe the persistence of residual levels of highly textured crystalline Ti to ∼180GPa, well above the expected melt completion pressure. We discuss the accuracy that current laser-shock experimental platforms have at determining the melt onset and completion pressures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High-rate strength response of tantalum from dynamic hole closure experiments

The science and engineering communities have significant interest in experimental platforms to evaluate and improve models for dynamic material deformation. While well-developed platforms exist, there are still gaps to fill for strain and strain rate conditions accessed during impact and other high-rate loading scenarios. To fill one such gap for strength measurements, a platform was recently developed that accesses high strain rate (≥ 10 5 /s) and large strain (≥ 50%) conditions by measuring the transient closure of a cylindrical hole using in situ x-ray imaging. In the work reported here, further refinement of the platform is performed to reduce the potential effects of porosity and anelasticity on the measurement. This helps us to isolate the strength effects that are the focus of the experiment. The updated experimental configuration employs a two-layer flyer design and elongated target to reduce the magnitude of the tensile excursions associated with rarefaction wave interactions. This allows for a more direct assessment of strength models commonly used for dynamic simulations of metals. Here we apply the new technique to well-characterized tantalum material, allowing for a robust connection to other experimental techniques. Deformation localization can be a concern in large strain experiments, and to help inform future use of the experimental platform, we use simulations with a sub-zone treatment of shear banding to explore potential localization behavior. Here we develop and utilize an experimental configuration with improved isolation of strength effects that can be applied to an expanded range of materials.

42 ENGINEERING↗
DOE OSTI2015

The high pressure structure and equation of state of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) up to 20 GPa: X-ray diffraction measurements and first principles molecular dynamics simulations

Recent theoretical studies of 2,6-diamino-3,5-dinitropyrazine-1-oxide (C{sub 4}H{sub 4}N{sub 6}O{sub 5} Lawrence Livermore Molecule No. 105, LLM-105) report unreacted high pressure equations of state that include several structural phase transitions, between 8 and 50 GPa, while one published experimental study reports equation of state (EOS) data up to a pressure of 6 GPa with no observed transition. Here we report the results of a synchrotron-based X-ray diffraction study and also ambient temperature isobaric-isothermal atomistic molecular dynamics simulations of LLM-105 up to 20 GPa. We find that the ambient pressure phase remains stable up to 20 GPa; there is no indication of a pressure induced phase transition. We do find a prominent decrease in b-axis compressibility starting at approximately 13 GPa and attribute the stiffening to a critical length where inter-sheet distance becomes similar to the intermolecular distance within individual sheets. The ambient temperature isothermal equation of state was determined through refinements of measured X-ray diffraction patterns. The pressure-volume data were fit using various EOS models to yield bulk moduli with corresponding pressure derivatives. We find very good agreement between the experimental and theoretically derived EOS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Predicting Pulsed-Laser Deposition SrTiO 3 Homoepitaxy Growth Dynamics Using High-Speed Reflection High-Energy Electron Diffraction

Pulsed-laser deposition (PLD) is a powerful technique for growing complex oxides with controlled stoichiometry. To understand growth dynamics therein, it is common to leverage in situ spectroscopies, such as reflection high-energy electron diffraction (RHEED), to monitor surface crystallinity. Most commercial systems rely on video-rate cameras operating at 60-120 Hz that lack sufficient temporal resolution to capture growth dynamics at practical deposition frequencies. Here, a high-speed platform to record in situ dynamics via RHEED at >500 Hz is implemented. An open-source analysis package is designed to fit diffraction spots to 2D Gaussians, allowing single-pulse surface reconstruction kinetics extraction. Using homoepitaxially deposited (001)-oriented SrTiO 3 as a model system, we demonstrate how high-speed RHEED can provide real-time insight into growth processes obscured by slower acquisition systems. By fitting the single-pulse intensity to a set of exponential functions, we observe changes in the characteristic decay time and mechanism correlated to the substrate step width and surface termination. We observe distinct surface effects, with diffraction intensity decaying on lower-energy TiO 2 -terminated surfaces and stabilizing on SrO- or mixed-terminated surfaces. Similarly, using an exponential model, the extracted characteristic time of adatom deposition decreases with increased density of bonding sites associated with mixed termination and narrower step widths. Ultimately, this work shows how increasing RHEED temporal resolution can uncover new insights into growth processes, with practical implications for the design and control of PLD processes. This experimental platform provides new capabilities to enable data-driven machine learning analysis and autonomous control systems to enhance the complexity and fecundity of PLD.

(SrO)↗
DOE OSTI2023

An Ensemble Score Filter for Tracking High-Dimensional Nonlinear Dynamical Systems

We propose an ensemble score filter (EnSF) for solving high-dimensional nonlinear filtering problems with superior accuracy. A major drawback of existing filtering methods, e.g., particle filters or ensemble Kalman filters, is the low accuracy in handling high-dimensional and highly nonlinear problems. EnSF attacks this challenge by exploiting the score-based diffusion model, defined in a pseudo-temporal domain, to characterizing the evolution of the filtering density. EnSF stores the information of the recursively updated filtering density function in the score function, in stead of storing the information in a set of finite Monte Carlo samples (used in particle filters and ensemble Kalman filters). Unlike existing diffusion models that train neural networks to approximate the score function, we develop a training-free score estimation that uses mini-batch-based Monte Carlo estimator to directly approximate the score function at any pseudo-spatial-temporal location, which provides sufficient accuracy in solving high-dimensional nonlinear problems as well as saves tremendous amount of time spent on training neural networks. Another essential aspect of EnSF is its analytical update step, gradually incorporating data information into the score function, which is crucial in mitigating the degeneracy issue faced when dealing with very high-dimensional nonlinear filtering problems. High-dimensional Lorenz systems are used to demonstrate the performance of our method. EnSF provides surprisingly impressive performance in reliably tracking extremely high-dimensional Lorenz systems (up to 1,000,000 dimension) with highly nonlinear observation processes, which is a well-known challenging problem for existing filtering methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

New insights into the mechanism governing the elasticity of calcium silicate hydrate gels exposed to high temperature: A molecular dynamics study

When exposed to fire, the integrity of cement-based materials is governed by thermally-induced changes in the mechanical properties of their binding phase, i.e., the calcium–silicate–hydrate (C–S–H) gel. However, the effect of temperature on the structure, density, and mechanical properties of C–S–H remains only partially known. Here, based on reactive molecular dynamics simulations, we reveal the nature of thermally-induced damage in C–S–H gels. In general, we show that, at the atomic scale, exposure to high temperature results in partial dehydration, volumetric shrinkage, disordering, and stiffening in the C–S–H grains. However, we show that the thermal response of C–S–H strongly depends on its chemical composition, wherein C–S–H systems associated with lower Ca/Si molar ratios are able to undergo higher temperatures before amorphization. Based on these results, we demonstrate that the stiffness of C–S–H gels (i.e., including porosity—as probed by nanoindentation) is governed by a competition between the stiffening of the grains and the decrease in packing density—wherein the latter eventually become predominant.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Phonon confinement and interface lattice dynamics of ultrathin high- k rare earth sesquioxide films: the case of Eu 2 O 3 on YSZ(001)

The spatial confinement of atoms at surfaces and interfaces significantly alters the lattice dynamics of thin films, heterostructures and multilayers. Ultrathin films with high dielectric constants (high-k) are of paramount interest for applications as gate layers in current and future integrated circuits. Here we report a lattice dynamics study of high-k Eu 2 O 3 films with thicknesses of 21.3, 2.2, 1.3, and 0.8 nm deposited on YSZ(001). The Eu-partial phonon density of states (PDOS), obtained from nuclear inelastic scattering, exhibits broadening of the phonon peaks accompanied by up to a four-fold enhancement of the number of low-energy states compared to the ab initio calculated PDOS of a perfect Eu 2 O 3 crystal. Our analysis demonstrates that while the former effect reflects the reduced phonon lifetimes observed in thin films due to scattering from lattice defects, the latter phenomenon arises from an ultrathin EuO layer formed between the thin Eu 2 O 3 film and the YSZ(001) substrate. Thus, our work uncovers another potential source of vibrational anomalies in thin films and multilayers, which has to be cautiously considered.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗