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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 163 records · Page 9

pnnl/lpNNPS4SPH

Low precision-based nearest neighboring particle searching algorithm.This work introduces a computationally efficient Nearest Neighbor Particles Searching (NNPS) algorithm tailored for the meshfree Smoothed Particle Hydrodynamics (SPH) method in large-deformation problems simulations. The innovation lies in the strategic use of low-precision float-point 16 (FP16) in NNPS for efficiency purpose.

Mao, Zirui↗

Proceedings of the 2nd Columbia River Basalt Symposium: Maar volcanoes

Examination of maar-type volcanic cones, including tuff rings, from more than 40 localities in western North America indicates that water had access to volcano orifices during their activity. The most convincing evidence is the abundance of sideromelane (chilled basaltic glass) or its palagonitic decomposition products in the ejecta. Moreover, the volcanoes which were examined erupted in basins that either contained surface water, or else they grew above highly permeable aquifers at shallow dept. Characteristic features of maar ejecta are continuous thin beds, undulations and antidunes characteristic of base surge stratification, abundant accretionary lapilli or mud-armored rock particles, bedding sags that show soft sediment deformation, and in the subaqueous parts of the maar ramparts, great piles of subtly graded thin lenses of hyaloclastic debris.

Waters, A. C.↗

A Lagrangian method for a two layer shallow water model

One of the biggest drawbacks of Eulerian methods is the presence of the nonlinear convective terms which leads to inaccurate representations of advection and fronts. An alternative and conceptually simpler approach is the Lagrangian approach in which the fluid particles themselves are tracked and equations are derived based on local spatial interaction. In this formulation the nonlinear convective terms do not appear. The main drawback with the Lagrangian formulation, however, is that the local spatial interactions are time dependent. That is, at each time level, one must know the current neighbors of a given particle to accurately compute the forces acting on the particle. The Voroni Mesh which is continuously deforming and always linking nearest neighbors is needed. The effectiveness of a simple Lagrangian method for simulating the onset of a Kelvin-Helmholtz instability in a 2 layer fluid is demonstrated.

Augenbaum, J. M.↗

1200 to 1400 K slow strain rate compressive properties of NiAl/Ni2AlTi-base materials

An attempt to apply the Martin Marietta Corporation's XD technology to the fabrication of NiAl-Ni2AlTi materials with improved creep properties is presented. Composite materials, containing from 0 to 30 vol pct of nominally 1-micron-diameter TiB2 particles in the intermetallic matrix have been produced by the XD process and compacted by hot pressing. Such composites demonstrated significant strength increases, approaching 3-fold for the 20 vol pct materials, in comparison to the unreinforced aluminide. This behavior was accomplished without deleterious side effects as the grain boundaries and particle-matrix interfaces were intact after compressive deformation to 10 percent or more strain. Typical true compressive stress-strain diagrams for materials tested in air between 1200 and 1400 K at approximate strain rates of 1.7 x 10 to the -6th/sec are presented.

Whittenberger, J. Daniel↗

Effects of dispersed particulates on the rheology of water ice at planetary conditions

Effects of the initial grain size and the hard particulate impurities on the transient and the steady state flows of water ice I were investigated under laboratory conditions selected as appropriate for simulating those of the surfaces and interiors of large moons. The samples were molded with particulate volume fraction, phi, of 0.001 to 0.56 and particle sizes of 1 to 150 microns; deformation experiments were conducted at constant shortening rates of 4.4 x 10 exp -7 to 4.9 x 10 exp -4 per sec at pressures of 50 and 100 MPa and temperatures 77 to 223 K. The results obtained suggest that viscous drag occurs in the ice as it flows around hard particulates. Mixed-phase ice was found to be tougher than pure ice, extending the range of bulk plastic deformation vs. faulting to lower temperatures and higher strain rates. It is suggested that bulk planetary compositions of ice + rock (phi = 0.4-0.5) are roughly 2 orders of magnitude more viscous than pure ice, leading to thermal instability inside giant icy moons and possibly explaining the retention of crater topography on icy planetary surfaces.

Durham, William B.↗

Mechanical properties of lunar regolith and lunar soil simulant

Through the Surveyor 3 and 7, and Apollo 11-17 missions a knowledge of the mechanical properties of Lunar regolith were gained. These properties, including material cohesion, friction, in-situ density, grain-size distribution and shape, and porosity, were determined by indirect means of trenching, penetration, and vane shear testing. Several of these properties were shown to be significantly different from those of terrestrial soils, such as an interlocking cohesion and tensile strength formed in the absence of moisture and particle cementation. To characterize the strength and deformation properties of Lunar regolith experiments have been conducted on a lunar soil simulant at various initial densities, fabric arrangements, and composition. These experiments included conventional triaxial compression and extension, direct tension, and combined tension-shear. Experiments have been conducted at low levels of effective confining stress. External conditions such as membrane induced confining stresses, end platten friction and material self weight have been shown to have a dramatic effect on the strength properties at low levels of confining stress. The solution has been to treat these external conditions and the specimen as a full-fledged boundary value problem rather than the idealized elemental cube of mechanics. Centrifuge modeling allows for the study of Lunar soil-structure interaction problems. In recent years centrifuge modeling has become an important tool for modeling processes that are dominated by gravity and for verifying analysis procedures and studying deformation and failure modes. Centrifuge modeling is well established for terrestrial enginering and applies equally as well to Lunar engineering. A brief review of the experiments is presented in graphic and outline form.

Steven W Perkins↗

Image-Based Digital Twin for Assessing the Coupled Electro-Chemo-Mechanical Behavior of Li-Ion Batteries

In energy storage materials, strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking during charge/discharge cycling, resulting in reduced performance and service life. In this work, a digital twin is created to investigate the performance of a Li-ion battery cathode and simulate degradation accumulation. Pixel-based model construction is used to represent the complex material geometries from microstructural images supplied by the National Renewable Energy Laboratory (NREL). Because of the expected large deformation and crack opening, the reproducing kernel particle method (RKPM), a meshfree method with discretization at the image pixels, is used to approximate the field variables: electrostatic potential, concentration, and displacement. An interface modified reproducing kernel (IM-RK) is constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The discrete nature of the images' pixel points is employed throughout the model and approximation construction. The mechanical model is verified using an image-based microstructure under tensile loading. A transient electro-chemo-mechanical coupled simulation is performed to evaluate the potential micro-cracking induced degradation of the battery cathode material subjected to charge/discharge cycling.

battery degradation↗

Image-Based Failure Assessment of Li-Ion Batteries

In energy storage materials, strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking during charge/discharge cycling, resulting in reduced performance and service life. In this work, a digital twin is created to investigate the performance of a heterogeneous Li-ion battery cathode and simulate degradation accumulation. Pixel-based model construction is used to represent the complex material geometries from microstructural images supplied by the National Renewable Energy Laboratory (NREL). Because of the expected large deformation and crack opening, the reproducing kernel particle method (RKPM), a meshfree method with discretization at the image pixels, is used to approximate the field variables: electrostatic potential, concentration, and displacement. An interface modified reproducing kernel (IM-RK) is constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. IM-RK is additionally used to inform how crack evolution in turn affects the coupled electro-chemo-mechanical behavior of the Li-ion battery cathode.

image-based modeling↗

High-speed x-ray phase contrast imaging and digital image correlation analysis of microscale shock response of an additively manufactured energetic material simulant

The performance of energetic materials subjected to dynamic loading significantly depends on their micro- and meso-scale structural morphology. The geometric versatility offered by additive manufacturing opens new pathways to tailor the performance of these materials. Additively manufactured energetic materials (AMEMs) have a wide range of structural characteristics with a hierarchy of length scales and process-inherent heterogeneities, which are hitherto difficult to precisely control. It is important to understand how these features affect AMEMs’ response under dynamic/shock loading. Therefore, temporally and spatially resolved measurements of both macroscopic behavior and micro- and meso-level processes influencing macroscopic behavior are required. In this paper, we analyze the shock compression response of an AMEM simulant loaded under several impact conditions and orientations. Furthermore, x-ray phase contrast imaging (PCI) is used to track features across the observed shock front and determine the linear shock velocity vs particle velocity equation of state, as well as to quantify the interior deformation fields via digital image correlation (DIC) analyses. Photon Doppler velocimetry is simultaneously used to measure the particle velocities of the specimens, which are consistent with those obtained from x-ray PCI. The DIC analyses provide an assessment of the average strain fields inside the material, showing that the average axial strain depends on the loading intensity and reaches as high as 0.23 for impact velocities up to 1.5 km/s. The overall results demonstrate the utility of x-ray PCI for probing “in-material” equation of state and interior strains associated with dynamic shock compression behavior of the AMEM simulant.

3D printing↗

Kinklike structures in an arcsin real scalar dynamics

Highlights: • Kinklike analyses in a real scalar theory with an arcsin dynamic. • First-order formalism implementation and deformation procedure in an arcsin scalar dynamics. In this paper, we analyze kink-like analytical solutions in a real scalar theory with an arcsin dynamics inspired by the arcsin electrodynamics presented in Kruglov (2015). This analysis is done by means of the first-order formalism. This formalism provides a framework where the equations of motion can be simplified by preserving the linear stability of the theory. In this work, the deformation procedure is implemented with the aim of finding exact solutions in systems with generalized dynamics. Along the paper, we explore how the first-order formalism is implemented in the arcsin kinetics and how such a term influences the kink-like solutions. As a part of the result of our paper, we show that the kink-like solutions are similar to the ones obtained in the standard scalar kinetic theory. We also show that the extra parameter, that controls the non-linearities of the model, plays an essential role in the energy densities and stability potentials. These quantities vary according to this parameter. The goals here are to show how the first-order framework is implemented in this arcsin scenario and to present the analytical kink-like solutions that can be found by means of the first-order framework and deformation method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nonlinear Homogenization of Finitely Deformed Viscoelastic-Viscoplastic Composites Using Mechanics of Structure Genome

The objective of this paper is to develop a micromechanics approach to homogenizing finitely deformed viscoelastic-viscoplastic composites using the mechanics of structure genome. The incremental constitutive relation for glassy polymers, formulated in the spatial configuration, is implemented in the present approach.This involves (1) pulling-back the constitutive model to the material configuration and (2)choosing the deformation gradient tensor and the first Piola–Kirchhoff stress tensor as the strain and the stress measures during homogenization, respectively. An Euler–Newton predictor–corrector method is developed for homogenization. Each step involves formulating a variational statement using the mechanics of structure genome, discretizing the statement in a finite-dimensional space, and solving the problem using an Euler/multilevel Newton method. The present approach is demonstrated by homogenizing fiber- and particle-reinforced composites undergoing uniaxial, biaxial, or shear deformation, at different stain rates.

Multi-scale modeling, High Strain Composites, Visc↗

Micro-Meteoroids Effects on NGST Optics

Results from initial testing of micro-meteoroid testing and analysis will be shown. The micro-meteoroid environment at L2 encompasses particles whose size range from about 0.5micrometers to a few millimeters and whose velocities can and do exceed 20km/s. The particle flux ranges from about 2600/sq m/yr for 0.5um particles to 1 particle/sq m every 1700 yrs for 1 mm size particles. The major concern is not that the unprotected optics will be physically damaged; although if that did happen it would be a very localized effect. The real concern is that after many years, all of the particles that hit the optical and non-optical surfaces [after the 10 year lifetime of NGST, there may be one particle hit every 5mm] may cause the optics to deform, some of which may be uncorrectable. No previous study was found which looked at optic deformations. Many studies looked at reduced glass strength over time and in fact glass strength did fall greater than 25% in many cases. The reduction is strength can be attributed to the surface fractures caused by particle damage.

Cohen, Lester M.↗

Thermomechanical Properties of Neutron Irradiated Al 3 Hf-Al Thermal Neutron Absorber Materials

A thermal neutron absorber material composed of Al 3 Hf particles in an aluminum matrix is under development for the Advanced Test Reactor. This metal matrix composite was fabricated via hot pressing of high-purity aluminum and micrometer-size Al 3 Hf powders at volume fractions of 20.0, 28.4, and 36.5%. Room temperature tensile and hardness testing of unirradiated specimens revealed a linear relationship between volume fraction and strength, while the tensile data showed a strong decrease in elongation between the 20 and 36.5% volume fraction materials. Tensile tests conducted at 200 °C on unirradiated material revealed similar trends. Evaluations were then conducted on specimens irradiated at 66 to 75 °C to four dose levels ranging from approximately 1 to 4 dpa. Tensile properties exhibited the typical increase in strength and decrease in ductility with dose that are common for metallic materials irradiated at ≤0.4T m . Hardness also increased with neutron dose. The difference in strength between the three different volume fraction materials was roughly constant as the dose increased. Nanoindentation measurements of Al 3 Hf particles in the 28.4 vol% material showed the expected trend of increased hardness with irradiation dose. Transmission electron microscopy revealed oxygen at the interface between the Al 3 Hf particles and aluminum matrix in the irradiated material. Scanning electron microscopy of the exterior surface of tensile tested specimens revealed that deformation of the material occurs via plastic deformation of the Al matrix, cracking of the Al 3 Hf particles, and to a lesser extent, tearing of the matrix away from the particles. The fracture surface of an irradiated 28.4 vol% specimen showed failure by brittle fracture in the particles and ductile tearing of the aluminum matrix with no loss of cohesion between the particles and matrix. The coefficient of thermal expansion decreased upon irradiation, with a maximum change of –6.3% for the annealed irradiated 36.5 vol% specimen.

36 MATERIALS SCIENCE↗

Droplet Deformation in an Extensional Flow: The Role of Surfactant Physical Chemistry

Surfactant-induced Marangoni effects strongly alter the stresses exerted along fluid particle interfaces. In low gravity processes, these stresses can dictate the system behavior. The dependence of Marangoni effects on surfactant physical chemistry is not understood, severely impacting our ability to predict and control fluid particle flows. A droplet in an extensional flow allows the controlled study of stretching and deforming interfaces. The deformations of the drop allow both Marangoni stresses, which resist tangential shear, and Marangoni elasticities, which resist surface dilatation, to develop. This flow presents an ideal model system for studying these effects. Prior surfactant-related work in this flow considered a linear dependence of the surface tension on the surface concentration, valid only at dilute surface concentrations, or a non-linear framework at concentrations sufficiently dilute that the linear approximation was valid. The linear framework becomes inadequate for several reasons. The finite dimensions of surfactant molecules must be taken into account with a model that includes surfaces saturation. Nonideal interactions between adsorbed surfactant molecules alter the partitioning of surfactant between the bulk and the interface, the dynamics of surfactant adsorptive/desorptive exchange, and the sensitivity of the surface tension to adsorbed surfactant. For example, cohesion between hydrocarbon chains favors strong adsorption. Cohesion also slows the rate of desorption from interfaces, and decreases the sensitivity of the surface tension to adsorbed surfactant. Strong cohesive interactions result in first order surface phase changes with a plateau in the surface tension vs surface concentration. Within this surface concentration range, the surface tension is decoupled from surface concentration gradients. We are engaged in the study of the role of surfactant physical chemistry in determining the Marangoni stresses on a drop in an extensional flow in a numerical and experimental program. Using surfactants whose dynamics and equilibrium behavior have been characterized in our laboratory, drop deformation will be studied in ground-based experiment. In an accompanying numerical study, predictive drop deformations will be determined based on the isotherm and equation of state determined in our laboratory. This work will improve our abilities to predict and control all fluid particle flows.

Stebe, Kathleen J.↗

In-situ deformation studies of an aluminum metal-matrix composite in a scanning electron microscope

Tensile specimens made of a metal-matrix composite (cast and extruded aluminum alloy-based matrix reinforced with Al2O3 particulate) were tested in situ in a scanning electron microscope equipped with a deformation stage, to directly monitor the crack propagation phenomenon. The in situ SEM observations revealed the presence of microcracks both ahead of and near the crack-tip region. The microcracks were primarily associated with cracks in the alumina particles. The results suggest that a region of intense deformation exists ahead of the crack and corresponds to the region of microcracking. As the crack progresses, a region of plastically deformed material and associated microcracks remains in the wake of the crack.

Manoharan, M.↗

Chemo-Mechanical Instabilities in Lithium Cobalt Oxide at Higher State-Of-Charge in Li-Ion Batteries

Transition metal oxide cathodes are widely used in commercial Li-ion batteries. However, their practical charge capacity is limited due to severe chemo-mechanical instabilities at higher charge voltage, and state-of-charge condition. Here, in situ stress and strain measurements were synchronized to probe mechanical deformations in the lithium cobalt oxide (LCO) cathode via a multi-beam stress sensor and digital image correlation, respectively. In situ mechanical measurements revealed how Li removal from the electrode structure induces deformations on the LCO composite cathodes during cycling. The structure and morphology of the LCO cathodes were further investigated by X-ray diffraction (XRD) and scanning electron microscopy (SEM) studies. Two distinct electrochemical and mechanical behaviors were identified when the LCO was charged up to 4.65 V. The LCO undergoes a compressive stress generation when charged up to 4.2 V and surface fractures on the LCO particles were detected by SEM. LCO cathode experienced significantly large contractions (negative strains) when charged up to 4.65 V, where intergranular crack formation and phase transformation were detected on the LCO particles via SEM and XRD, respectively. Overall, the study bridges complicated structural deformations with in situ analysis of mechanical degradations in LCO cathodes charged at higher voltages. The correlation is vital to understanding instability mechanisms in transition metal oxides at high voltages for alkali metal ion batteries.

higher state-of-charge↗

Skyrmion soliton motion on periodic substrates by atomistic and particle-based simulations

Abstract We compare the dynamical behavior of magnetic skyrmions interacting with square and triangular defect arrays just above commensuration using both atomistic and particle-based models. Under applied drives, the initial motion is a kink traveling through the pinned skyrmion lattice. For the square defect array, both models agree well and show a regime in which the soliton motion is locked along 45°. The atomistic model also produces locking of a soliton along 30°, which is absent in the particle-based model. For the triangular defect array, the atomistic model exhibits 30° soliton motion over a wide region of external current values. In contrast, the particle-based model gives 45° soliton motion over a small range of external driving force values. The difference arises because the nondeforming particle model facilitates meandering skyrmion orbits while the deformable atomistic model enables stronger skyrmion-skyrmion interactions that reduce the meandering. Our results indicate that soliton motion through pinned skyrmion lattices on a periodic substrate is a robust effect.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Investigations of lunar materials

The investigations were directed at determining the radiation history and surface chronology of lunar materials using the etched particle track technique. The major lunar materials studied are the igneous rocks and double core from Apollo 12, the breccia and soil samples from Apollo 14, and the core samples from Luna 16. In the course of this work two new and potentially important observations were made: (1) Cosmic ray-induced spallation-recoil tracks were identified. The density of such tracks, when compared with the density of tracks induced by a known flux of accelerator protons, yields the time of exposure of a sample within the top meter or two of moon's surface. (2) Natural, fine scale plastic deformation was found to have fragmented pre-existing charged particle tracks, allowing the dating of the mechanical event causing the deformation.

Comstock, G. M.↗