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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Noninvasive measurements of spin transport properties of an antiferromagnetic insulator

Antiferromagnetic insulators (AFIs) are of substantial interest because of their potential in the development of next-generation spintronic devices. One major effort in this emerging field is to harness AFIs for long-range spin information communication and storage. Here, we report a noninvasive method to optically access the intrinsic spin transport properties of an archetypical AFI α-Fe 2 O 3 via nitrogen-vacancy (NV) quantum spin sensors. By NV relaxometry measurements, we successfully detect the frequency-dependent dynamic fluctuations of the spin density of α-Fe 2 O 3 along the Néel order parameter, from which an intrinsic spin diffusion constant of α-Fe 2 O 3 is experimentally measured in the absence of external spin biases. Our results highlight the significant opportunity offered by NV centers in diagnosing the underlying spin transport properties in a broad range of high-frequency magnetic materials such as two-dimensional magnets, spin liquids, and magnetic Weyl semimetals, which are challenging to access by the conventional measurement techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Non-Diffusive Volume Advection with A High Order Interface Reconstruction Method

We show that non-diffusive volume advection in two-dimensions is achieved with several benchmark problems using a newly developed high-order volume of fluids (VOF) interface reconstruction method. (1) A new VOF interface reconstruction method using circular/corner facets (linear facets are a degenerate case of arcs). We create a circular interface facet in each mixed zone by matching neighbor volume with a hybrid Newton’s-bisection method and the local solution is final. In the general case, the new VOF interface reconstruction has 3rd order accuracy and can be easily made seamless. The new method addresses intrinsic issues with Young’s method such as gaps between interface facets in the case of a curved interface, and inability to define curvature nor identify corners. (2) A non-diffusive volume advection scheme. In an ALE advection step, a well-defined interface can be carried over through a Lagrange step and used to compute volume distribution into a relaxed mesh. Then, an interface reconstruction step is performed to redefine the interface in the relaxed mesh. We must point out that the interface carried over is also a solution of interface reconstruction because all the volume fractions in the relaxed mesh are naturally matched. We provide an interface tracking method compatible with our reconstruction scheme, where it is granted to use the prior info as an initial guess to capture sub-mesh resolution features. As a result, we are able to treat multiple facets inside a single mixed cell and obtain highly accurate, non-diffusive solution for advection problems with rather coarse meshes. We show our solutions for two-dimensional incompressible flows with two materials with a) the X + O diagonal translation; b) the Zalesak rotational test; and c) the single vortex spiral test.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

3D modeling of the Staged Z-pinch with the FLASH code

The Staged Z-pinch (SZP) fusion concept is a magneto-inertial compression scheme developed by Magneto-Inertial Fusion Technologies, Inc. (MIFTI), in which small amounts of fusion fuel are brought to fusion-relevant conditions by passing multi-million amperes strong current through a cylindrical shell of high atomic number material. One- and two-dimensional modeling performed by MIFTI with the MACH2 code, suggests that net fusion energy gain can be achieved when currents in the 10 million amperes range compress a 50%-50% mixture of deuterium and tritium gas. In this project we enhance and use the FLASH code to execute high-fidelity, simulations of various SZP configurations, a collaboration between the Flash Center for Computational Science at the University of Rochester and the Laboratory for Laser Energetics, and MIFTI. FLASH is a high-performance computing, multi-physics, radiation magnetohydrodynamic (MHD) code with extended physics capabilities, which is developed at the Flash Center. The goal of this project is to assess the shell/fuel stability of the pinch to two- and three-dimensional MHD instabilities and to utilize FLASH’s extended physics capabilities to understand how extended-MHD effects impact implosion dynamics and plasma conditions at stagnation. The project is a natural extension of an ongoing collaborative effort between MIFTI and the Flash Center through the U.S. DOE Advanced Research Projects Agency-Energy (ARPA-E) BETHE program and can provide MIFTI with simulation capabilities that are currently beyond their reach with MACH2. Ultimately, MIFTI wants FLASH to become one of their simulation workhorses for reliable, high-fidelity SZP platform design. During the project, the Flash Center team developed a suite of in one- and two-dimensional FLASH simulations to model different variants of the SZP platform, performed code-to-code comparisons with MACH2, and used the FLASH code to design and model SZP experiments like the Double Eagle experiments that MIFTI recently performed. Also, the Flash Center team developed the capabilities of FLASH to be able to do three-dimensional simulations of pulsed-power experiments with the code for the first time. Two publications from this effort are currently under review and two more are in preparation. MIFTI has also committed to the use of FLASH for future SZP simulation efforts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1990

Dissipation Of Energy In Extension Of Cracks

Dissipation in elastic-plastic material calculated by two-dimensional finite-element method. Analytical procedure developed to calculate various components of dissipation of energy during extension of crack and to relate them to total dissipation of energy computed from global load-displacement response. Observations in study valid for other elastic-plastic fracture situations, including growth of cracks in pressure vessels in nuclear powerplants.

Shivakumar, Kunigal N.↗
NASA NTRS1989

Quantitative NDE applied to composites and metals

Research at the NASA/Langley Research Center concerning quantitative NDE of composites and metals is reviewed. The relationship between ultrasonics and polymer cure is outlined. NDE models are presented, which can be used to develop measurement technologies for characterizing the curing of a polymer system for composite materials. The models can be used to determine the glass transition temperature, the degree of cure, and the cure rate. The application of the model to control autoclave processing of composite materials is noted. Consideration is given to the use of thermal diffusion models combined with controlled thermal input measurements to determine the thermal diffusivity of materials. Also, a two-dimensional physical model is described that permits delaminations in samples of Space Shuttle Solid Rocket Motors to be detected in thermograms in the presence of cooling effects and uneven heating.

Heyman, Joseph S.↗
NASA NTRS2006

User-Defined Material Model for Progressive Failure Analysis

An overview of different types of composite material system architectures and a brief review of progressive failure material modeling methods used for structural analysis including failure initiation and material degradation are presented. Different failure initiation criteria and material degradation models are described that define progressive failure formulations. These progressive failure formulations are implemented in a user-defined material model (or UMAT) for use with the ABAQUS/Standard1 nonlinear finite element analysis tool. The failure initiation criteria include the maximum stress criteria, maximum strain criteria, the Tsai-Wu failure polynomial, and the Hashin criteria. The material degradation model is based on the ply-discounting approach where the local material constitutive coefficients are degraded. Applications and extensions of the progressive failure analysis material model address two-dimensional plate and shell finite elements and three-dimensional solid finite elements. Implementation details and use of the UMAT subroutine are described in the present paper. Parametric studies for composite structures are discussed to illustrate the features of the progressive failure modeling methods that have been implemented.

Knight, Norman F. Jr.↗
NASA NTRS2008

Factors Influencing Progressive Failure Analysis Predictions for Laminated Composite Structure

Progressive failure material modeling methods used for structural analysis including failure initiation and material degradation are presented. Different failure initiation criteria and material degradation models are described that define progressive failure formulations. These progressive failure formulations are implemented in a user-defined material model for use with a nonlinear finite element analysis tool. The failure initiation criteria include the maximum stress criteria, maximum strain criteria, the Tsai-Wu failure polynomial, and the Hashin criteria. The material degradation model is based on the ply-discounting approach where the local material constitutive coefficients are degraded. Applications and extensions of the progressive failure analysis material model address two-dimensional plate and shell finite elements and three-dimensional solid finite elements. Implementation details are described in the present paper. Parametric studies for laminated composite structures are discussed to illustrate the features of the progressive failure modeling methods that have been implemented and to demonstrate their influence on progressive failure analysis predictions.

Knight, Norman F., Jr.↗
NASA NTRS2016

Thermal Ablation Modeling for Silicate Materials

A general thermal ablation model for silicates is proposed. The model includes the mass losses through the balance between evaporation and condensation, and through the moving molten layer driven by surface shear force and pressure gradient. This model can be applied in the ablation simulation of the meteoroid and the glassy ablator for spacecraft Thermal Protection Systems. Time-dependent axisymmetric computations are performed by coupling the fluid dynamics code, Data-Parallel Line Relaxation program, with the material response code, Two-dimensional Implicit Thermal Ablation simulation program, to predict the mass lost rates and shape change. The predicted mass loss rates will be compared with available data for model validation, and parametric studies will also be performed for meteoroid earth entry conditions.

Ablation↗
DOE OSTI2024

Literature Review of Recycling Polypropylene and Polyamide 12 Powders for Selective Laser Sintering

Additive manufacturing (AM) is the creation of three-dimensional parts by adding material layer-by-layer based on two dimensional “slices” of a CAD file, without molds or tooling. AM has broken the relationship between part complexity and manufacturing cost. As a general rule, for conventional manufacturing, the more complex the part produced, the more costly its manufacturing. For example, in the production of a bracket for a satellite, moving from conventional manufacturing to AM allowed the part to be consolidated from 4 parts to just one, as well as reducing the weight of the part by 35%. A further benefit, AM can be more cost effective for small lot sizes. To illustrate, consider a case study of white board marker caps presented by Klahn et al. The cost to produce 1,000 units of a new design using SLS was about an order of magnitude lower than conventional manufacturing, as shown in Figure 1.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Two-Dimensional Energy Histograms as Features for Machine Learning to Predict Adsorption in Diverse Nanoporous Materials

A major obstacle for machine learning (ML) in chemical science is the lack of physically informed feature representations that provide both accurate prediction and easy interpretability of the ML model. In this work, we describe adsorption systems using novel two-dimensional energy histogram (2D-EH) features, which are obtained from the probe-adsorbent energies and energy gradients at grid points located throughout the adsorbent. The 2D-EH features encode both energetic and structural information of the material and lead to highly accurate ML models (coefficient of determination R2 ~ 0.94–0.99) for predicting single-component adsorption capacity in metal–organic frameworks (MOFs). Here, we consider the adsorption of spherical molecules (Kr and Xe), linear alkanes with a wide range of aspect ratios (ethane, propane, n-butane, and n-hexane), and a branched alkane (2,2-dimethylbutane) over a wide range of temperatures and pressures. The interpretable 2D-EH features enable the ML model to learn the basic physics of adsorption in pores from the training data. We show that these MOF-data-trained ML models are transferrable to different families of amorphous nanoporous materials. We also identify several adsorption systems where capillary condensation occurs, and ML predictions are more challenging. Nevertheless, our 2D-EH features still outperform structural features including those derived from persistent homology. The novel 2D-EH features may help accelerate the discovery and design of advanced nanoporous materials using ML for gas storage and separation in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Study of the influence of the parameters of an experiment on the simulation of pole figures of polycrystalline materials using electron microscopy

A two-dimensional mathematical model of a polycrystalline sample and an experiment on electron backscattering diffraction (EBSD) is considered. The measurement parameters are taken to be the scanning step and threshold grain-boundary angle. Discrete pole figures for materials with hexagonal symmetry have been calculated based on the results of the model experiment. Discrete and smoothed (by the kernel method) pole figures of the model sample and the samples in the model experiment are compared using homogeneity criterion χ{sup 2}, an estimate of the pole figure maximum and its coordinate, a deviation of the pole figures of the model in the experiment from the sample in the space of L{sub 1} measurable functions, and the RP-criterion for estimating the pole figure errors. Is is shown that the problem of calculating pole figures is ill-posed and their determination with respect to measurement parameters is not reliable.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Polymer-assisted transfer of MBE-grown van der Waals materials

Molecular beam epitaxy (MBE) has been used to create high-quality, large-scale two-dimensional van der Waals (2D vdW) materials. However, due to the strong adhesion between the substrate and deposited materials, the peel-off and dry transfer of MBE-grown vdW films onto other substrates has been challenging. This limits the study and use of MBE films for heterogeneous integration including stacked and twisted heterostructures. In this work, we develop a polymer-assisted dry transfer method and successfully perform full-film transfer of various MBE-grown 2D vdW materials including transition metal dichalcogenides (TMD), topological insulators (TI) and 2D magnets. In particular, we transfer air-sensitive 2D magnets, characterize their magnetic properties, and compare them with as-grown materials. The results show that the transfer technique does not degrade the magnetic properties, with the Curie temperature and hysteresis loops exhibiting similar behaviors after the transfer. Our results enable further development of heterogeneous integration of 2D vdW materials based on MBE growth.

Li, Ziling [The Ohio State University]↗
DOE OSTI2022

Pressure dependent magnetic properties on bulk CrBr 3 single crystals

The van der Waals class of materials offer an approach to two-dimensional magnetism as their spin fluctuations can be tuned upon exfoliation of layers. Moreover, it has recently been shown that spin-lattice coupling and long-range magnetic ordering can be modified with pressure in van der Waals materials. In this work, the magnetic properties of quasi two-dimensional CrBr 3 are reported applying hydrostatic pressure. The application of pressure up to 0.844 GPa shows a 1.77% decrease in saturation magnetization with a decrease in the Curie temperature from 33.05 to 30.41 K. Density functional theory calculations with pressure up to 1 GPa show a reduction in volume and interplanar distance as pressure increases. To further understand the magnetic properties with applied pressure, the magnetocrystalline anisotropy energy (MAE) and exchange coupling parameter (J) are calculated. There is small decrease in MAE and the first nearest neighbor interaction (J 1 ) (U = 2.7 eV and J = 0.7 eV) is increasing with respect to increasing pressure. Overall, CrBr 3 displays ferromagnetic interlayer coupling and the calculated exchange coupling and MAE parameters match well with the observations from the experimental work.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Imaging local discharge cascades for correlated electrons in WS 2 /WSe 2 moiré superlattices

Transition metal dichalcogenide moiré heterostructures provide an ideal platform to explore the extended Hubbard model, where long-range Coulomb interactions play a critical role in determining strongly correlated electron states. This has led to experimental observations of Mott insulator states at half filling as well as a variety of extended Wigner crystal states at different fractional fillings. However, a microscopic understanding of these emerging quantum phases is still lacking. Here we describe a scanning tunnelling microscopy (STM) technique for the local sensing and manipulation of correlated electrons in a gated WS 2 /WSe 2 moiré superlattice, which enables the experimental extraction of fundamental extended Hubbard model parameters. We demonstrate that the charge state of the local moiré sites can be imaged by their influence on the STM tunnelling current. In addition to imaging, we are also able to manipulate the charge state of correlated electrons. When we ramp the bias on the STM tip, there is a local discharge cascade of correlated electrons in the moiré superlattice, which allows us to estimate the nearest-neighbour Coulomb interaction. Two-dimensional mapping of the moiré electron charge states also enables us to determine the on-site energy fluctuations at different moiré sites. Furthermore, our technique should be broadly applicable to many semiconductor moiré systems, offering a powerful tool for the microscopic characterization and control of strongly correlated states in moiré superlattices.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Thermal-Stress-Free Fasteners for Orthotropic Materials

Theoretical basis for design of thermal-stress-free fasteners developed. Two-dimensional analysis defines shapes of interfaces between materials. Design technique determines fastener shapes that maintain tight thermal-stress-free joint while joint undergoes uniform temperature change.

Blosser, M. L.↗
DOE OSTI2016

Replacement for Silicon Devices Looms Big With ORNL Discovery

Two-dimensional electronic devices could inch closer to their ultimate promise of low power, high efficiency and mechanical flexibility with a processing technique developed at the Department of Energy’s Oak Ridge National Laboratory.

25 ENERGY STORAGE↗