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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Pursuing Heteroleptic Ligand Design Principles for Photoactive Fe Complexes with Ultrafast X-ray Emission and Variable-Temperature Optical Spectroscopies

Understanding the key parameters that govern the photophysical and photochemical properties of transition metal complexes is essential for the development of efficient photosensitizers for photocatalytic applications. Achieving this objective necessitates clear and detailed investigations of their electronic excited states, for which time-resolved metal Kβ X-ray emission spectroscopy (XES) has proven highly effective. Here, we present a time-resolved Fe Kβ XES study of a heteroleptic Fe(II) polypyridyl carbene complex, [Fe(phen) 2 (C 4 H 10 N 4 )] 2+ (1; phen = 1,10-phenanthroline), utilizing both the valence-to-core and Kβ mainline spectral regions, complemented by variable-temperature transient optical absorption (VT-TA) spectroscopy. Detailed analysis of the time-resolved Kβ XES data, supported by density functional theory (DFT) calculations and an Eyring analysis of the VT-TA data, reveals parallel excited state relaxation dynamics that support an assignment of the long-lived excited state to a triplet metal-centered state. Placing these results in the context of prior studies of heteroleptic Fe(II) polypyridyl cyanide complexes motivated a series of DFT calculations to investigate the effects of ligand structural flexibility and arrangement. These calculations reinforce the experimentally derived conclusion that constraining structural flexibility with multidentate ligands significantly impacts the excited state relaxation dynamics. Furthermore, our study emphasizes that the arrangement of strong field ligands in heteroleptic complexes substantially affects the energy of Jahn–Teller active triplet metal-centered states in low-spin d 6 metal complexes. Together, these findings provide synthetic design principles for extending metal-to-ligand charge transfer excited state lifetimes of heteroleptic Fe complexes.

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

Role of density modulation in the spatially resolved dynamics of strongly confined liquids

Confinement by walls usually produces a strong modulation in the density of dense liquids near the walls. Using molecular dynamics simulations, we examine the effects of the density modulation on the spatially resolved dynamics of a liquid confined between two parallel walls, using a resolution of a fraction of the interparticle distance in the liquid. The local dynamics is quantified by the relaxation time associated with the temporal autocorrelation function of the local density. We find that this local relaxation time varies in phase with the density modulation. The amplitude of the spatial modulation of the relaxation time can be quite large, depending on the characteristics of the wall and thermodynamic parameters of the liquid. To disentangle the effects of confinement and density modulation on the spatially resolved dynamics, we compare the dynamics of a confined liquid with that of an unconfined one in which a similar density modulation is induced by an external potential. We find several differences indicating that density modulation alone cannot account for all the features seen in the spatially resolved dynamics of confined liquids. We also examine how the dynamics near a wall depends on the separation between the two walls and show that the features seen in our simulations persist in the limit of large wall separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Energetic particle loss mechanisms in reactor-scale equilibria close to quasisymmetry

Abstract Collisionless physics primarily determines the transport of fusion-born alpha particles in 3D equilibria. Several transport mechanisms have been implicated in stellarator configurations, including stochastic diffusion due to class transitions, ripple trapping, and banana drift-convective orbits. Given the guiding center dynamics in a set of six quasihelical and quasiaxisymmetric equilibria, we perform a classification of trapping states and transport mechanisms. In addition to banana drift convection and ripple transport, we observe substantial non-conservation of the parallel adiabatic invariant which can cause losses through diffusive banana tip motion. Furthermore, many lost trajectories undergo transitions between trapping classes on longer time scales, either with periodic or irregular behavior. We discuss possible optimization strategies for each of the relevant transport mechanisms. We perform a comparison between fast ion losses and metrics for the prevalence of mechanisms such as banana-drift convection (Velasco et al 2021 Nucl. Fusion 61 116059), transitioning orbits, and wide orbit widths. Quasihelical configurations are found to have natural protection against ripple-trapping and diffusive banana tip motion leading to a reduction in prompt losses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Time-dependent density functional theory with twist-averaged boundary conditions

Time-dependent density functional theory is widely used to describe excitations of many-fermion systems. In its many applications, three-dimensional (3D) coordinate-space representation is used, and infinitedomain calculations are limited to a finite volume represented by a spatial box. For finite quantum systems (atoms, molecules, nuclei, hadrons), the commonly used periodic or reflecting boundary conditions introduce spurious quantization of the continuum states and artificial reflections from boundary; hence, an incorrect treatment of evaporated particles. The finite-volume artifacts for finite systems can be practically cured by invoking an absorbing potential in a certain boundary region sufficiently far from the described system. However, such absorption cannot be applied in the calculations of infinite matter (crystal electrons, quantum fluids, neutron star crust), which suffer from unphysical effects stemming from a finite computational box used. Here, twist-averaged boundary conditions (TABC) have been used successfully to diminish the finite-volume effects. In this work, we extend TABC to time-dependent modes. We demonstrate that by using TABC, one can reduce finite-volume effects drastically without adding any additional parameters associated with absorption at large distances. Moreover, TABC are an obvious choice for time-dependent calculations for infinite systems. Furthermore, since TABC calculations for different twists can be performed independently, the method is trivially adapted to parallel computing.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Correlation Function Approach for Diffusion in Confined Geometries

This paper describes a formalism for extracting spatially varying transport coefficients from simulations of a molecular fluid in a nano channel. This approach is applied to self-diffusion of a Lennard-Jones fluid confined between two parallel surfaces. A numerical grid is laid over the domain confining the fluid, and fluid properties are projected onto the grid cells. The time correlation functions between properties in different grid cells are calculated and can be used as the basis for a fitting procedure for extracting spatially varying diffusion coefficients from the simulation. Results for the Lennard-Jones system show that transport behavior varies sharply near the liquid-solid boundary and that the changes depend on the details of the liquid-solid interaction. A quantitative difference between the reduced and detailed models is discussed. It is found that the difference could be associated with assumptions about the form of the transport equations at molecular scales in lieu of problems with the method itself. The study suggests that this approach to fitting molecular simulations to continuum equations may guide the development of appropriate coarse-grained equations to model transport phenomena at nanometer scales.

Nanoscale flow, Transport, molecular simulation↗
DOE OSTI2015

Competing Kinetics and He Bubble Morphology in W

We found that the growth process of He bubbles in W is investigated using molecular dynamics and parallel replica dynamics for growth rates spanning 6 orders of magnitude. Fast and slow growth regimes are defined relative to typical diffusion hopping times of W interstitials around the He bubble. Moreover, slow growth rates allow the diffusion of interstitials around the bubble, favoring the biased growth of the bubble towards the surface. In contrast, at fast growth rates interstitials do not have time to diffuse around the bubble, leading to a more isotropic growth and increasing the surface damage.

36 MATERIALS SCIENCE↗
DOE OSTI2017

On Analytics of File Transfer Rates over Dedicated Wide-Area Connections

File transfers between the decentralized storage sites over dedicated wide-area connections are becoming increasingly important in high-performance computing and big data scenarios. Designing such scientific workflows for large file transfers is extremely challenging as they depend on the file, I/O, host, and local- and wide-area network subsystems, and their interactions. To gain insights into file-transfer rate profiles, we develop polynomial, bagging, and boosting regression models for Lustre and XFS file transfer measurements, which are collected using XDD over a suite of 10 Gbps connections with 0-366 ms round trip times (RTTs). In addition to overall trends and analytics, these regressions also provide file-transfer rate estimates for RTTs and number of parallel flows at which measurements might not have been collected. They show that bagging and boosting techniques provide closer data fits than the polynomial regression. We develop probabilistic bounds on the generalization error of these methods, which combined with the cross-validation error establish that former two are more accurate estimators than the polynomial regression. In addition, we present a method to efficiently determine the number of parallel flows to achieve a peak file-transfer rate using fewer than full sweep measurements; in our measurements, the peak is achieved in 96% of cases with 15-25% of measurements of a full sweep.

Sen, Satyabrata↗
DOE OSTI2024

Bi-Filar Coil Winding for Fast Quench Protection

As superconducting magnet technology is pushed towards higher performance, energy density and total stored energy follow exponentially. Protecting magnets becomes substantially more challenging with traditional methods being stretched to their limits. New technologies such as CLIQ (Coupling Loss Induced Quench) promise to provide a robust method to protect advanced magnets, however they become inductance limited in large magnet strings or at low field, leading to more complex configurations. A technique to substantially reduce this limitation and improve response time is presented, by winding coils in a bifilar fashion and connecting them in series for typical operation, while providing an anti-parallel connection for quasi-zero-inductance in a protection case. This allows for extremely high di/dt. The concept is then demonstrated on a small REBCO coil.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

DIII-D Electron Cyclotron Heating and Current Drive System Status and Plans

The DIII-D 110 GHz Electron Cyclotron Heating and Current Drive (ECH/ECCD) System supports a wide range of experiments at the DIII-D National Fusion Facility and is pioneering innovative new techniques for future fusion reactors. Here, the system currently includes 8 sockets with 4 installed gyrotrons, 31.75 mm circular corrugated transmission lines, four dual real time steerable launchers plus two Top Launchers. After the successful testing of the first Top Launcher, that injects the EC waves downward nearly parallel to the resonance layer with double current drive efficiency and a long absorption path, a second new Top Launcher was designed and installed with an upgraded design. Some of the operational limitations encountered for the 110 GHz X-mode second harmonic resonance scenario launched in over-dense plasmas were overcome with the alternative use of O-mode second harmonic launch. Two new gyrotrons in a new series manufactured by CPI were installed and tested, bringing up the total installed power to 3 MW. The installation of repaired and new gyrotrons will increase the number of installed gyrotrons to 7 in 2023. An addition to the DIII-D building will be completed in early 2022 to provide the space to expand the ECH/ECCD system to ten gyrotron systems, plus an extra gyrotron test socket.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

WIREFRAME: Supporting Data-dependent Parallelism through Dependency Graph Execution in GPUs

GPUs lack fundamental support for data-dependent parallelism and synchronization. While CUDA Dynamic Parallelism signals progress in this direction, many limitations and challenges still re-main. This paper introducesWireframe, a hardware-software solution that enables generalized support for data-dependent parallelism and synchronization. Wireframe enables applications to naturally express execution dependencies across different thread blocks through a dependency graph abstraction at run-time, which is sent to the GPU hardware at kernel launch. At run-time, the hardware enforces the dependencies specified in the dependency graph through a dependency-aware thread block scheduler. Overall, Wireframe is able to improve total execution time up to 65.20% with an average of 45.07%.

Abdolrashidi, AmirAli↗
DOE OSTI2017

Data measured on water collected from eastern Mojave Desert, California

In March of 2000 field collection of water from the Eastern Mojave Desert resulted in the measurement of stable isotope, radiocarbon, tritium, and limited dissolved noble gases. This work was follow-on to previous studies on similar systems in southern Nevada associated with the Nevada Test Site (Davisson et al., 1999; Rose and Davisson, 2003). The data for groundwater from wells and springs was never formally published and is therefore tabulated in Table 1 in order to be recorded in public record. In addition 4 years of remote precipitation data was collected for stable isotopes and is included in Table 2. These studies, along with many parallel and subsequent ones using isotopes and elemental concentrations, are all related to the general research area of tracing sources and quantifying transport times of natural and man-made materials in the environment. This type of research has direct relevance in characterizing environmental contamination, understanding resource development and protection, designing early detection in WMD related terrorism, and application in forensics analysis.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

Progress Report on Performance of A709 and G91 Steels in Sodium

Specimens in six different processing and heat treatment conditions of A709 H58776 were exposed to sodium at 550, 600, and 650°C, respectively for various exposure times. G91 base metal was tested in sodium at 550, 600, and 650°C, and G91 weldment at 550 and 600°C, respectively. Parallel thermal aging experiments were conducted on G91 and A709 to obtain thermal aging data for comparison with sodium exposure results to separate the thermal and sodium effects. The corrosion data obtained on A709 steel continue to show low corrosion rates, which indicate good compatibility of A709 with sodium when oxygen content is controlled. G91 has also shown acceptable corrosion rates over the temperature range of 550-650°C in sodium. Thermal aging or sodium exposures reduced the tensile strength, uniform elongation, and total elongation for A709 ESR, AOD specimens. These specimens consistently showed higher yield stress and tensile strength and lower uniform and total elongations after sodium exposure than after thermal aging under comparable testing conditions. It implies that there was an additional effect of sodium exposure that gave rise to an increase in tensile strength of A709. Dynamic strain aginginduced flow serrations were completely removed by either thermal aging or sodium exposure at 650°C, which imply that carbon or nitrogen in solution was removed from the solution and formed precipitates during aging or sodium exposures. The tensile data ruled out the possibility of decarburization under the sodium exposure conditions. The HOMO specimens behaved somewhat differently from the ESR and AOD specimens in sodium. While thermal aging and sodium exposures at 550 and 600°C decreased the yield stress and the ultimate tensile strength of G91, there was virtually no additional effect resulting from sodium exposures at these two temperatures. In contrast, sodium exposures at 650°C had a drastic effect on the yield stress and the ultimate tensile strength of G91. It is suggested that G91 experienced decarburization in the 650°C sodium environments. Carbon concentrations in sodium in the SMT-1 and SMT-2 loops were determined by a foil equilibration method. The estimated carbon concentration was in the range of 0.8-1.2 ppm in the SMT-1 loop and 0.3-0.7 ppm in the SMT-2 loop. The carbon activity in sodium in the SMT-2 loop was estimated to be 0.03-0.08 at 600°C, and 0.08-0.2 at 550°C. The carbon activity in sodium at 650°C in the SMT-1 loop was 0.04-0.07. Equilibrium simulation of the carburization – decarburization processes was conducted for A709 and G91 steels exposed in sodium environments at temperatures of 550-700°C. The carbon activity-concentration relationship for G91 was re-evaluated by considering four phases in G91, i.e. bcc ferrite, M 23 C 6 , NbC and VC carbides. It was found that the carburization-decarburization process in G91 steel was dictated by M 23 C 6 carbides at high carbon activities, while NbC carbides dominated the process at low carbon activities. Formation of NbC increases the decarburization resistance of G91 steel. It remains to be understood whether the decarburization resistance provided by MC carbides in G91 can be maintained during long-term operations of SFRs. The carbon concentration-activity relationship for A709 was calculated based on the equilibrium of fcc-austenite and M 23 C 6 carbide phase. The calculations showed that A709 decarburizes at 650°C in the SMT-1 loop environments, which is different from the experimental findings. The carbon concentration-activity relationship in A709 was further evaluated by considering four phases, including fcc-austenite, M 23 C 6 , NbC, and TiC carbide phases. TiC is the most stable carbides among the three carbide phases. The carburization-decarburization process in A709 is dictated by M 23 C 6 carbides at high carbon activities and by TiC at low carbon activities. Formation of TiC increases the decarburization resistance of A709 steel. Because of the complexity of the precipitation process in A709 during sodium exposures, detailed characterization of precipitates in sodium-exposed specimens and improved thermodynamic models are needed to understand the carburization-decarburization behavior of A709. Kinetic analysis of carbon transfer will be investigated for G91 and A709 in future work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Seeing in with X-rays: 4D Strain and Thermometry Measurements for Thermal-Mechanical Testing

Understanding temperature-dependent material decomposition and structural deformation induced by combined thermal-mechanical environments is critical for safety qualification of hardware under accident scenarios. Seeing in with X-rays elucidated the physics necessary to develop X-ray strain and thermometry diagnostics for use in optically opaque environments. Two parallel thermometry schemes were explored: X-ray fluorescence and X-ray diffraction of inorganic doped ceramics– colloquially known as thermographic phosphors. Two parallel surface strain techniques–Path-Integrated Digital Image Correlation and Frequency Multiplexed Digital Image Correlation–were demonstrated. Finally, preliminary demonstration of time-resolved digital volume correlation was performed by taking advantage of limited view reconstruction techniques. Additionally, research into blended ceramic-metal coatings was critical to generating intrinsic thermographic patterns for the future combination of X-ray strain and thermometry measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Laboratory and field evaluation of the Aerosol Dynamics Inc. concentrator (ADIc) for aerosol mass spectrometry

Abstract. An air-to-air ultrafine particle concentrator (Aerosol Dynamics Inc. concentrator; ADIc) has been designed to enhance online chemical characterization of ambient aerosols using aerosol mass spectrometry. The ADIc employs a three-stage, moderated water-based condensation growth tube coupled to an aerodynamic focusing nozzle to concentrate fine particles into a portion of the flow. The system can be configured to sample between 1.0 and 1.7 L min -1 , with an output concentrated flow between 0.08 and 0.12 L min -1 , resulting in a theoretical concentration factor (sample flow/output flow) ranging from 8 to 21. Laboratory tests with monodisperse particles show that the ADIc is effective for particles as small as 10 nm. Laboratory experiments conducted with the Aerosol Mass Spectrometer (AMS) showed no shift in the particle size with the ADIc, as measured by the AMS particle time-of-flight operation. The ADIc-AMS system was operated unattended over a 1-month period near Boston, Massachusetts. Comparison to a parallel AMS without the concentrator showed concentration factors of 9.7±0.15 and 9.1±0.1 for sulfate and nitrate, respectively, when operated with a theoretical concentration factor of 10.5±0.3. The concentration factor of organics was lower, possibly due to the presence of large particles from nearby road-paving operations and a difference in aerodynamic lens cutoff between the two AMS instruments. Another field deployment was carried out in Helsinki, Finland. Two ~10 d measurement periods showed good correlation for the concentrations of organics, sulfate, nitrate and ammonium measured with an Aerosol Chemical Speciation Monitor (ACSM) with the ADIc and a parallel AMS without the concentrator. Additional experiments with an AMS alternating between the ADIc and a bypass line demonstrated that the concentrator did not significantly change the size distribution or the chemistry of the ambient aerosol particles.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Addressing numerical challenges in introducing a reactive transport code into a land surface model: a biogeochemical modeling proof-of-concept with CLM–PFLOTRAN 1.0

Abstract. We explore coupling to a configurable subsurface reactive transport code as a flexible and extensible approach to biogeochemistry in land surface models. A reaction network with the Community Land Model carbon–nitrogen (CLM-CN) decomposition, nitrification, denitrification, and plant uptake is used as an example. We implement the reactions in the open-source PFLOTRAN (massively parallel subsurface flow and reactive transport) code and couple it with the CLM. To make the rate formulae designed for use in explicit time stepping in CLMs compatible with the implicit time stepping used in PFLOTRAN, the Monod substrate rate-limiting function with a residual concentration is used to represent the limitation of nitrogen availability on plant uptake and immobilization. We demonstrate that CLM–PFLOTRAN predictions (without invoking PFLOTRAN transport) are consistent with CLM4.5 for Arctic, temperate, and tropical sites.Switching from explicit to implicit method increases rigor but introduces numerical challenges. Care needs to be taken to use scaling, clipping, or log transformation to avoid negative concentrations during the Newton iterations. With a tight relative update tolerance (STOL) to avoid false convergence, an accurate solution can be achieved with about 50 % more computing time than CLM in point mode site simulations using either the scaling or clipping methods. The log transformation method takes 60–100 % more computing time than CLM. The computing time increases slightly for clipping and scaling; it increases substantially for log transformation for half saturation decrease from 10-3 to 10-9 mol m-3, which normally results in decreasing nitrogen concentrations. The frequent occurrence of very low concentrations (e.g. below nanomolar) can increase the computing time for clipping or scaling by about 20 %, double for log transformation. Overall, the log transformation method is accurate and robust, and the clipping and scaling methods are efficient. When the reaction network is highly nonlinear or the half saturation or residual concentration is very low, the allowable time-step cuts may need to be increased for robustness for the log transformation method, or STOL may need to be tightened for the clipping and scaling methods to avoid false convergence.As some biogeochemical processes (e.g., methane and nitrous oxide reactions) involve very low half saturation and thresholds, this work provides insights for addressing nonphysical negativity issues and facilitates the representation of a mechanistic biogeochemical description in Earth system models to reduce climate prediction uncertainty.

58 GEOSCIENCES↗
DOE OSTI2023

Additive Polynomial Time Integrators, Part I: Framework and Fully Implicit-Explicit Collocation Methods

In this paper we generalize the polynomial time integration framework to additively partitioned initial value problems. The framework we present is general and enables the construction of many new families of additive integrators with arbitrary order-of-accuracy and varying degree of implicitness. In this first work, we focus on a new class of implicit-explicit polynomial block methods that are based on fully implicit Runge–Kutta methods with Radau nodes and that possess high stage order. Here, we show that the new fully implicit-explicit (FIMEX) integrators have improved stability compared to existing IMEX Runge–Kutta methods, while also being more computationally efficient due to recent developments in preconditioning techniques for solving the associated systems of nonlinear equations. For PDEs on periodic domains where the implicit component is trivial to invert, we will show how parallelization of the right-hand side evaluations can be exploited to obtain significant speedup compared to existing serial IMEX Runge–Kutta methods. For parallel (in space) finite element discretizations, the new methods can achieve orders of magnitude better accuracy than existing IMEX Runge–Kutta methods and/or achieve a given accuracy several times times faster in terms of computational runtime.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Material Model Testing in the DYNA3D Code: Material Models 1 through 5

This report is the first volume in an effort to study the material model implementations in DYNA3D, using the latest developmental version of the code. Input files were derived from a template supplied by Jerry Lin to perform an equation-of-state study. Most of the simulations use 10 cubes, each 1 cm on a side with a density of 8.03 (steel). Each of the cubes tests a different aspect of the material model. The first three cubes are testing normal stresses and normal strains (uniaxial stresses and strains) placed on the cube parallel to the x-axis, y-axis and z-axis, respectively. The x (or y or z) = 1 face of the cube is moved along the x-axis (or y-axis or z-axis) to test the model, while the opposite side remains in the x (or y or z) = 0 plane. For some of the tests, the nodes are free to move perpendicular to the applied strain to allow the cross-sectional area of the cube to change in response to being placed under pressure or tension (to test Poisson’s Ratio), while in others the nodes are frozen to eliminate dynamic effects resulting from the code. The cube is placed in tension along the axis being tested and then released, followed by a cycle of compression and release. This tension/compression cycle is repeated 3 more times. The additional cycles allow for the model to be tested under different loads. For these calculations, the amount by which the cube is stretched and compressed is varied from cycle to cycle to allow testing of model features. Cubes number 4 and 5 are intended to test xy shear stresses/strains. This is done by sliding one face of the cube in its plane parallel to the axis of interest. For example, for cube 4, the upper face of the cube is slid in the y=1 plane in a direction parallel to the x-axis (so there are no changes in the y and z coordinates of the points in the plane) and then returned to its starting position. This preserves the volume of the cube, so there is no change in density or pressure. The cycle is repeated 8 times. For cube 5, the plane of the cube satisfying x=1 is slid in this plane in a direction parallel to the y-axis and then returned to its starting position. This preserves the volume of the cube, so there is no change in density or pressure. The cycle is repeated 8 times. Cubes number 6 through 9 repeat these tests for yz shear stresses/strains (Cubes 6 and 7) and zx shear stresses and strains (Cubes 8 and 9). For reasons discussed in the next paragraph, it is unclear if these tests represent a state of pure shear stress and shear strain in the code. Application of shear stresses and strains should not, in general, result in the appearance of normal stresses and strains in Cubes 4 - 9. In the infinitesimal limit, this result might be obtained. However, DYNA3D is a finite deformation code and in the real deformations used in the code, this result is not achieved and the individual components of the normal stresses and strains are non-zero during the cycling. However, the sums of the normal strains are zero in these tests and, except in the case of thermally dependent models, so are the sums of the normal stresses. Cube 10 tests the response of the material model to a hydrostatic loading of the cube. The load curve used for the first three tests is used again and applied to each of the 8 nodes in a manner causing the cube to be either compressed or expanded. This compression/tension cycle is repeated 4 times. The additional cycles allow for the model to be tested under different loads. The amount by which the cube is stretched and compressed is varied from cycle to cycle to allow testing of model features. This document will discuss the testing of Material Models 1 through 5. Relevant results from the test cubes will be discussed. A discussion of the results from all 10 test cubes will be presented only if necessary.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Real-time microstructure imaging by Laue microdiffraction: A sample application in laser 3D printed Ni-based superalloys

Synchrotron-based Laue microdiffraction has been widely applied to characterize the local crystal structure, orientation, and defects of inhomogeneous polycrystalline solids by raster scanning them under a micro/nano focused polychromatic X-ray probe. In a typical experiment, a large number of Laue diffraction patterns are collected, requiring novel data reduction and analysis approaches, especially for researchers who do not have access to fast parallel computing capabilities. In this article, a novel approach is developed by plotting the distributions of the average recorded intensity and the average filtered intensity of the Laue patterns. Visualization of the characteristic microstructural features is realized in real time during data collection. As an example, this method is applied to image key features such as microcracks, carbides, heat affected zone, and dendrites in a laser assisted 3D printed Ni-based superalloy, at a speed much faster than data collection. Such analytical approach remains valid for a wide range of crystalline solids, and therefore extends the application range of the Laue microdiffraction technique to problems where real-time decision-making during experiment is crucial (for instance time-resolved non-reversible experiments).

36 MATERIALS SCIENCE↗