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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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82 records · Page 5

Report on FY 2021 testing in support of integrating Alloy 800H and 2.25Cr-1Mo for EPP analysis

The use of simplified Elastic-Perfectly Plastic (EPP) design methods avoids the complexities and limitations of the elastic analysis approach in evaluating strain limits and creep-fatigue damage for Class A metallic coolant boundary components in ASME Boiler and Pressure Vessel Code, Section III, Division 5, Subsection HB, Subpart B. No stress classification and linearization are required in the EPP methods. Further, the strain limits and creep-fatigue damage evaluation procedures based on elastic analysis results were developed for the reactor operating conditions where uncoupled, rate-independent plasticity and stationary creep can be used to approximate the deformation in the component adequately. But at very high temperatures, the deformation is rate-dependent, and it can only be approximated adequately by unified viscoplastic model. Thus, for example, the elastic analysis approach cannot be used to evaluate strain limits and creep-fatigue damage for Alloy 617 above 650 °C. The EPP methods remove the temperature restriction. They can be used to evaluate strain limits and creep-fatigue damage for the full range of temperatures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Platform-Independent X-ray Diffraction Diagnostic for Phase Transition Kinetics in Traditional and Synthetic Microstructure Materials (LDRD Project 213088 Final Report)

Pulsed-power generators using the magnetic loading technique are able to produce well-controlled continuous ramp compression of condensed matter for high-pressure equation-of-state studies. X-ray diffraction (XRD) data from dynamically compressed samples provide direct measurements of the elastic compression of the crystal lattice, onset of plastic flow, strength-strain rate dependence, structural phase transitions, and density of crystal defects such as dislocations. Here, we present a cost effective, compact X-ray source for XRD measurements on pulsed-power-driven ramp-loaded samples. This combination of magnetically-driven ramp compression of materials with single, short-pulse XRD diagnostic will be a powerful capability for the dynamic materials community. The success in fielding this new XRD diagnostic dramatically improves our predictive capability and understanding of rate-dependent behavior at or near phase transition. As Sandia plans the next-generation pulse-power driver platform, a key element needed to deliver new state-of-the-art experiments will be having the necessary diagnostic tools to probe new regimes and phenomena. These diagnostics need to be as versatile, compact, and portable as they are powerful. The development of a platform-independent XRD diagnostic gives Sandia researchers a new window to study the microstructure and phase dynamics of materials under load. This project has paved the way for phase transition research in a variety of materials with mission interest.

36 MATERIALS SCIENCE↗

On the flow-stress model of Preston, Tonks, and Wallace - Observations, parameter constraints, and implementations (Rev. 1)

A detailed discussion about the PTW flow-stress model has been presented, including theoretical considerations, model calibrations to experimental data, and model implementations in LANL ASC hydro-codes. The main findings are: In order to reproduce the intended behavior of the PTW model at high strain rates, the following conditions on the model parameters need to be valid: y 1 ≥ s 0 and y 2 ≥ β ; When the conditions above are not satisfied, PTW and PTW_Mod1 have slightly different behavior in the phonon-drag regime, and should be treated as different models. PTW exhibits a discontinuity above the critical strain rate. PTW_Mod1 does not show such a discontinuity but implies a different strain-rate dependence at high strain rates. Examples of this behavior include older calibrations for stainless steel and depleted uranium; In the thermal-activation regime, some flexibility was introduced in the original PTW model to allow for different rate-dependent behaviors at intermediate strain rates. Example: copper. However, many material calibrations do not require this extra flexibility, and the complexity and ambiguity of the intended behavior can be partially blamed for the inconsistent model implementations across ASC codes; The limit for the material constant p going to zero is well defined and leads to a simplified flow-stress equation, discontinuity free; Modern calibrations of the PTW parameters are done using Impala. Constraints on the PTW parameters are enforced; Implementation of the PTW model in LANL ASC hydro-codes suffered of several shortcom ings. At the time of writing, FLAG and xRAGE contain consistent and correct implemen tations of the PTW and PTW_Mod1 models. Corresponding changes to Pagosa have been suggested.

36 MATERIALS SCIENCE↗

A theoretical/computational framework to measure SiO2 and MgO viscosity at high pressure

The convection of the mantle of Earth and super-Earths is important for many terrestrial phenomena, from plate tectonics to outgassing. Rheological properties, such as viscosity, regulate the transport of thermal energy and mass. However, the viscosity of mantle-relevant materials, such as MgO, at relevant pressures (>120 GPa) are not well constrained. The objective of this work was to develop a computational platform to simulate novel experiments aiming to measure the viscosity of MgO at high pressures. Experiments performed by our collaborators at Johns Hopkins University and Lawrence Livermore National Laboratory use the OMEGA EP laser facility to shock a corrugated MgO interface to 170 GPa, with resulting velocity evolution governed by the viscous Richtmyer-Meshkov instability. We used an in-house hydrocode to simulate this process and thus provide a bound on viscosity by comparing our simulations results to these experiments, as well as to examine the physical processes at play. We simulated the experiments with different values of MgO viscosity (from inviscid to 10,000 Pa∙s) while taking into account the unsteady laser pulse, the material's equation of state, and the rate-dependent constitutive relation for MgO, and the materials' equations of state. Our results suggest that MgO at these conditions has a viscosity within an order of magnitude of 5000 Pa∙s.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

2024 Second Half Semi Annual Report: Modeling plasticity-mediated flow in metals with pressurized cavities

The objective is to better predict the bulk-scale mechanical behavior of porous metals that have over pressurized cavities (e.g., irradiated metals with helium bubbles) by quantifying the complex coupling among cavity aspects (e.g., size distribution, inhomogeneous overpressure values, spatial arrangement) and metal properties (e.g., rate-dependency, crystallographic lattice). This requires up-scaling local mechanical fields from the single crystal scale and will be accomplished using a homogenization approach that combines full-field numerical simulations, analytical formalisms, and physics-informed machine learning to produce symbolically-defined constitutive equations (e.g., gauge functions). These equations will satisfy the objective because they enable computationally efficient predictions that approach the accuracy of computationally expensive full-field numerical simulations, abide by theoretical requirements (e.g., conservation of energy, work conjugacy), and retain the transparency of analytical models.

36 MATERIALS SCIENCE↗

A crystal plasticity finite element model embedding strain-rate sensitivities inherent to deformation mechanisms: Application to alloy AZ31

We report the fundamental power-law relationship representing the flow rule in crystal visco-plasticity ensures uniqueness in the selection of slip systems accommodating imposed plastic strain-rates. The power-law relationship also introduces an artificially high strain-rate sensitivity in crystal plasticity simulations, unless a high value of the power-law exponent is used. However, the use of high values for the exponent is limited by numerical tractability. This paper presents a numerical method implemented in a crystal plasticity finite element (CPFE) model for embedding any value of the power-law exponent reflecting the true material strain-rate sensitivity. Importantly, the method does not increase computation time involved in the simulations. The enhanced CPFE model is used to interpret and predict a complex strain-rate sensitive response and microstructural evolution of AZ31 Mg alloy. Measured values of strain-rate sensitivity for slip and twinning modes are used in the simulations. Calculations show that the model successfully captures the phenomena pertaining to the effect of changing applied strain-rate on the mechanical response including flow stress and evolution of texture and twinning for a broad range of strain-rates ranging from 10 -3 s -1 to 10 3 s -1 and loading orientations in tension and compression. It is shown that such predictions are a consequence of not only relative amounts of slip and twinning activities driven by a set of accurately characterized hardening law parameters but also values of the strain-rate sensitivities inherent to individual deformation mechanisms. Besides, the model validates the measured strain-rate dependency of deformation mechanisms while accurately reproducing the mechanical data. Hence, the model can be used to verify and further refine or infer measured strain-rate sensitivity per deformation mechanism by reproducing experimental data.

36 MATERIALS SCIENCE↗

Analytic model of dislocation density evolution in fcc polycrystals accounting for dislocation generation, storage, and dynamic recovery mechanisms

Here, an analytic model of the evolution of dislocation density in fcc polycrystals is described. The evolution equations approximately account for most known dislocation storage, dynamic recovery, and dislocation generation mechanisms in fcc polycrystals. Specifically, the model incorporates network (forest) and grain boundary storage, mobile-network and mobile–mobile annihilation, screw–screw annihilation via athermal and thermal single cross-slip, generation by double cross-slip (Koehler mechanism, including dipole formation), Frank-Read sources, grain boundary nucleation, and mobile–immobile dislocation nucleation due to shock loading. Single cross-slip is assumed to proceed through the Friedel–Escaig (FE) mechanism; the corresponding activation energy is calculated using a modified FE model. The activation energy for double cross-slip is calculated for the first time by extending the FE model. The exact evolution equations are integro-differential equations, and as such are difficult to implement in a code; hence, the evolution equations are simplified by making several approximations. Preliminary results on copper are presented, including comparisons to experimental data.

36 MATERIALS SCIENCE↗

Simulation of dislocation evolution in microparticle impacts over a wide range of impact velocities

We report the dynamic loading environment created by high velocity microparticle impacts is very difficult to model. The extremely high strain rates, large deformations, and high temperatures affect the flow stress of the material in ways that standard flow stress models cannot capture. Plastic deformation and strain hardening in metals is controlled by the motion of dislocations. Dislocations can be nucleated, stored as forest dislocations, or be annihilated as loading progresses. A comprehensive accounting of dislocation density change is needed to accurately describe rate and temperature dependent dislocation glide and evolution across the wide rage of loading conditions present in microparticle impact problems. Therefore, we implement and apply a newly proposed flow stress model (Hunter and Preston, 2015, 2022) that is then coupled with mobile and immobile dislocation density evolution equations. This model is implemented in Los Alamos National Laboratory’s hydrodynamics code, FLAG, to model copper-on-copper microparticle impacts. This new strength model allows for accurate simulation of particle rebound and flattening across a wide range of impact velocities.

36 MATERIALS SCIENCE↗

Elucidating the Link Between Alkali Metal Ions and Reaction-Transport Mechanisms in Cathode Electrodes for Alkali-ion Batteries

Our long-term goal is to improve the reliability of electrode materials and their ability to transport and store various metal ions for electrochemical energy storage applications. The main objective of this work was to investigate the intrinsic relationship between the role of alkali metal ions and electrochemically driven mechanical stability and kinetic properties of battery materials. The overall question was “What is the role of alkali metal ions on the electrochemical and mechanical behavior of cathode electrodes? Our guiding hypothesis was that intercalation of larger alkali metal ions (Na and K) inevitably alters the coupled transport-reaction processes during battery operation in organic electrolytes, leading to more intensive chemo-mechanical instabilities in cathode electrodes, resulting in rapid capacity fade. To validate the hypothesis, we experimentally characterized the reaction-transport processes and governing forces driving the instability of electrode materials in different alkali metal-ion environments. The project had three main tasks. The first one was to investigate intercalation-induced strains and associated stress generation, and their impact on structural deformations in composite cathode electrodes. The second task focused on identifying potential-dependent dynamic changes in the electrode-electrolyte interface in alkali metal ion batteries. The last task was focused on determining how larger alkali metal ions with slower diffusivity affect the transport-mechanics coupling at faster scan rates, compared to smaller ions with faster diffusivity in electrodes. We shortly provided the outcome of each task in the accomplishment section. This project produced 10 peer-reviewed publications (9 research papers and one review manuscript) and supported two Ph.D. students, who graduated from Oklahoma State University.

25 ENERGY STORAGE↗