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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

MOSFIRE spectroscopy of quiescent galaxies at 1.5 < z < 2.5. I. Evolution of structural and dynamical properties

We present deep near-infrared spectra for a sample of 24 quiescent galaxies in the redshift range 1.5<z<2.5 obtained with the MOSFIRE spectrograph at the W. M. Keck Observatory. In conjunction with a similar data set we obtained in the range 1<z<1.5 with the LRIS spectrograph, we analyze the kinematic and structural properties for 80 quiescent galaxies, the largest homogeneously selected sample to date spanning 3 Gyr of early cosmic history. Analysis of our Keck spectra together with measurements derived from associated Hubble Space Telescope images reveals increasingly larger stellar velocity dispersions and smaller sizes to redshifts beyond z∼2. By classifying our sample according to Sérsic indices, we find that among disk-like systems the flatter ones show a higher dynamical to stellar mass ratio compared to their rounder counterparts, which we interpret as evidence for a significant contribution of rotational motion. For this subset of disk-like systems, we estimate that V/σ, the ratio of the circular velocity to the intrinsic velocity dispersion, is a factor of two larger than for present-day disky quiescent galaxies. We use the velocity dispersion measurements also to explore the redshift evolution of the dynamical to stellar mass ratio, and to measure for the first time the physical size growth rate of individual systems over two distinct redshift ranges, finding a faster evolution at earlier times. We discuss the physical origin of this time-dependent growth in size in the context of the associated reduction of the systematic rotation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis

Enzymes are complicated solvated systems that typically require many atoms to simulate their function with any degree of accuracy. We have recently developed numerical techniques for large scale First-Principles molecular dynamics simulations and applied them to study the enzymatic reaction catalyzed by acetylcholinesterase. We carried out Density functional theory calculations for a quantum mechanical (QM) sub- system consisting of 612 atoms with an O(N) complexity finite-difference approach. The QM sub-system is embedded inside an external potential field representing the electrostatic effect due to the environment. We obtained finite temperature sampling by First-Principles molecular dynamics for the acylation reaction of acetylcholine catalyzed by acetylcholinesterase. Our calculations shows two energies barriers along the reaction coordinate for the enzyme catalyzed acylation of acetylcholine. In conclusion, the second barrier (8.5 kcal/mole) is rate-limiting for the acylation reaction and in good agreement with experiment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Relativistic Modeling of Ultra-Short Electron Pulse Propagation

The ultrafast electron microscopy, electron diffraction, electron crystallography, and nanocrystallography methods opened the possibility of studying the coherent structural dynamics of matter. The time resolution of the ultrafast electron microscopy and electron diffraction methods determined by the duration of electron pulses is the key parameter of experimental setups. This paper treats electron pulse dynamics in the field free drift region specifically for applications in atomic imaging. The electron beam is modeled as a system of particles (N) with N = 1000 and N = 10 000 electrons. The beam propagates for a certain period of time (1–4 ns); during its propagation, electron distribution parameters (over coordinates and velocities) are calculated to characterize the temporal profile and uncertainty in the electron wavelength at the sample. The results of applying relativistic dynamic equations show that nonrelativistic results are satisfactorily applicable (with 15 per cent or better accuracy) for modeling short electron pulse elongation and broadening at 30 keV and lower energies. However, the results of such modeling may be significantly in error for intermediate energies (300 keV), and for the fast relativistic beams (3 MeV) they become completely wrong. The relative reduction in Coulomb repulsion effects at higher energies is known, however; we give a comprehensive treatment that allows a quantitative picture. Using high-energy electron pulses results in almost complete elimination of the repulsive Coulomb effect. Dispersion of electron velocities becomes much lower at higher energies. For 3 MeV electrons, electron pulse duration as well as its radius does not noticeably change even after traveling for 4 ns (1.2 m). Even at 300 keV, the pulse duration increase is negligible until 1 ns (0.2 m). A simple mean-field model suggested in [13] has been extended to arbitrarily fast relativistic electron pulses with good correspondence to direct dynamic modeling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Understanding vortex dynamics in CaK(Fe,Ni) 4 As 4 and Ba(Fe,Co) 2 As 2 single crystals under the influence of random point disorder

We report on the influence of doping on vortex dynamics in 3 MeV proton-irradiated single crystals of CaK(Fe 1–x Ni x ) 4 As 4 (1144, x = 0.015, 0.025, and 0.03) and Ba(Fe 1–x Co x ) 2 As 2 (x = 0.04, 0.062, 0.066 and 0.074). Non-irradiated crystals of the 1144 system display superconducting critical temperatures ranging from 31 K for x = 0.015–20.5 K, as doping increases to 0.03. On the other hand, pristine crystals of the 122 system show T c values between 14.6 and 23.6 K, with the maximum T c occurring at intermediate doping levels. The fluence was set at 3 × 10 16 p cm –2 , resulting in a decrease in the T c by around 1.5 K for all samples and significantly affecting the vortex dynamics by reducing the flux creep relaxation compared to previously reported values for unirradiated crystals. Parameters such as vortex pinning energy U 0 and the glassy exponent μ dependencies on doping and magnetic field strength are identified. For the 1144 system, U 0 reaches values approaching 500 K for small fields in samples with T c = 29.3 K (x = 0.015), systematically decreasing to around 200 K as T c falls below 20 K. Furthermore, U 0 decreases as the field increases to 3 T for the same sample, varying from approximately 250 K to 100 K as T c decreases. These changes are typically accompanied by modifications in μ, gradually increasing from values around 1 towards 1.5, corresponding to small bundle relaxation in the collective creep theory. Despite differences in the substitutional disorder and magnetic phase diagram with respect to the 1144 system, the results for 122 single crystals follow a similar tendency in which U 0 usually reduces and μ increase rise as the applied magnetic field is increased. Due to moderate U 0 in these systems (few hundreds of kelvins), the resulting decay of persistent current at liquid helium temperatures is primarily determined by a balance between U 0 and bundle size contribution. Furthermore, these findings provide valuable insights for potential applications of these systems, particularly in the context of intrinsic superconducting parameters and the resulting pinning landscape.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

gLaSDI: Parametric physics-informed greedy latent space dynamics identification

A parametric adaptive physics-informed greedy Latent Space Dynamics Identification (gLaSDI) method is proposed for accurate, efficient, and robust data-driven reduced-order modeling of high-dimensional nonlinear dynamical systems. In the proposed gLaSDI framework, an autoencoder discovers intrinsic nonlinear latent representations of high-dimensional data, while dynamics identification (DI) models capture local latent-space dynamics. Here, an interactive training algorithm is adopted for the autoencoder and local DI models, which enables identification of simple latent-space dynamics and enhances accuracy and efficiency of data-driven reduced-order modeling. To maximize and accelerate the exploration of the parameter space for the optimal model performance, an adaptive greedy sampling algorithm integrated with a physics-informed residual-based error indicator and random-subset evaluation is introduced to search for the optimal training samples on the fly. Further, to exploit local latent-space dynamics captured by the local DI models for an improved modeling accuracy with a minimum number of local DI models in the parameter space, a -nearest neighbor convex interpolation scheme is employed. The effectiveness of the proposed framework is demonstrated by modeling various nonlinear dynamical problems, including Burgers equations, nonlinear heat conduction, and radial advection. The proposed adaptive greedy sampling outperforms the conventional predefined uniform sampling in terms of accuracy. Compared with the high-fidelity models, gLaSDI achieves 17 to 2,658× speed-up with 1 to 5% relative errors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Metal–bicarbonate ion pairing in alkaline aqueous solutions from multilevel embedded correlated wavefunction theory and molecular dynamics

In this work, we examine ion-pairing mechanisms of bicarbonates in alkaline aqueous solutions with the divalent metal ions most abundantly present in seawater, namely, Ca 2+ and Mg 2+ . We employ a rare-event enhanced sampling approach within first-principles molecular dynamics to explore regions of phase space spanning solvent-shared to contact ion pairs. Second-order Møller–Plesset perturbation theory (MP2) corrections are subsequently applied in an embedding framework (EMB) to refine the electronic structure of stationary states and associated reaction barriers along the free-energy profiles while retaining the extended solvent effects at the density functional theory (DFT) level. Ca 2+ –HCO 3 − was previously hypothesized to exist in a solvent-shared ion pair (SSHIP) by DFT studies with an endergonic contact ion pair (CIP) formation; however, our EMB-MP2 refinement of the DFT ion-pairing pathways reveals that Ca 2+ and HCO 3 − form a virtually barrier-free CIP in alkaline solutions, with even more energetic ease than the widely studied Ca–CO 3 ion pair. We find qualitative agreement between DFT and EMB-MP2 for Mg 2+ —unlike Ca 2+ , Mg 2+ refuses to shed its strong hydration shell, thereby preferring a SSHIP state with a significant activation barrier to crossover to the CIP forms—a trait reminiscent of ion pairing in Mg–CO 3 and closely related to the kinetic limitations underlying the famous subject of the dolomite problem. Our study highlights the importance of improved electronic structure descriptions of liquids, modeled as a condensed phase of matter lacking in long-range crystalline order. It also strongly suggests that Ca 2+ –HCO 3 − CIPs are likely precursors involved in prenucleation of CaCO 3 mineral formation in seawater.

Sharma, Vidushi [Princeton Plasma Physics Laborato↗
DOE OSTI2021

Laboratory and field studies of ice-nucleating particles from open-lot livestock facilities in Texas

Abstract. In this work, an abundance of ice-nucleating particles (INPs) from livestock facilities was studied through laboratory measurements from cloud-simulation chamber experiments and field investigation in the Texas Panhandle. Surface materials from two livestock facilities, one in the Texas Panhandle and another from McGregor, Texas, were selected as dust proxies for laboratory analyses. These two samples possessed different chemical and biological properties. A combination of aerosol interaction and dynamics in the atmosphere (AIDA) measurements and offline ice spectrometry was used to assess the immersion freezing mode ice nucleation ability and efficiency of these proxy samples at temperatures above −29 ∘C. A dynamic filter processing chamber was also used to complement the freezing efficiencies of submicron and supermicron particles collected from the AIDA chamber. For the field survey, periodic ambient particle sampling took place at four commercial livestock facilities from July 2017 to July 2019. INP concentrations of collected particles were measured using an offline freezing test system, and the data were acquired for temperatures between −5 and −25 ∘C. Our AIDA laboratory results showed that the freezing spectra of two livestock dust proxies exhibited higher freezing efficiency than previously studied soil dust samples at temperatures below −25 ∘C. Despite their differences in composition, the freezing efficiencies of both proxy livestock dust samples were comparable to each other. Our dynamic filter processing chamber results showed on average approximately 50 % supermicron size dominance in the INPs of both dust proxies. Thus, our laboratory findings suggest the importance of particle size in immersion freezing for these samples and that the size might be a more important factor for immersion freezing of livestock dust than the composition. From a 3-year field survey, we measured a high concentration of ambient INPs of 1171.6 ± 691.6 L−1 (average ± standard error) at −25 ∘C for aerosol particles collected at the downwind edges of livestock facilities. An obvious seasonal variation in INP concentration, peaking in summer, was observed, with the maximum at the same temperature exceeding 10 000 L−1 on 23 July 2018. The observed high INP concentrations suggest that a livestock facility is a substantial source of INPs. The INP concentration values from our field survey showed a strong correlation with measured particulate matter mass concentration, which supports the importance of size in ice nucleation of particles from livestock facilities.

58 GEOSCIENCES↗
DOE OSTI2023

Probing pH-Dependent Dehydration Dynamics of Mg and Ca Cations in Aqueous Solutions with Multi-Level Quantum Mechanics/Molecular Dynamics Simulations

The dehydration of aqueous calcium and magnesium cations is the most fundamental process controlling their reactivity in chemical and biological phenomena, such as the formation of ionic solids or passing through ion channels. It holds particular relevance in light of recent advancements in the development of carbon capture techniques that rely on mineralization for long-term carbon storage. Specifically, dehydration of Ca 2+ and Mg 2+ is a key step in proposed carbon capture processes aiming to exploit the relatively high concentration of dissolved carbon dioxide in seawater via the formation of carbonate minerals from solvated Ca 2+ and Mg 2+ cations for sequestration and storage. Nevertheless, atomic-scale understanding of the dehydration of aqueous Ca 2+ and Mg 2+ cations remains limited. Here, we utilize rare event sampling via density functional theory molecular dynamics and embedded wavefunction theory calculations to elucidate the dehydration dynamics of aqueous Ca 2+ and Mg 2+ . Emphasis is placed on the investigation of the effect pH has on the stability of the different coordination environments. Here, our results reveal significant differences in the dehydration dynamics of the two cations and provide insight into how they may be modulated by pH changes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Stress relaxation in vanadium under shock and shockless dynamic compression

Evolutions of elastic-plastic waves have been recorded in three series of plate impact experiments with annealed vanadium samples under conditions of shockless and combined ramp and shock dynamic compression. The shaping of incident wave profiles was realized using intermediate base plates made of different silicate glasses through which the compression waves were entered into the samples. Measurements of the free surface velocity histories revealed an apparent growth of the Hugoniot elastic limit with decreasing average rate of compression. The growth was explained by “freezing” of the elastic precursor decay in the area of interaction of the incident and reflected waves. A set of obtained data show that the current value of the Hugoniot elastic limit and plastic strain rate is rather associated with the rate of the elastic precursor decay than with the local rate of compression. The study has revealed the contributions of dislocation multiplications in elastic waves. It has been shown that independently of the compression history the material arrives at the minimum point between the elastic and plastic waves with the same density of mobile dislocations.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Evolution of the major merger galaxy pair fraction at z < 1

We present a study of the largest available sample of near-infrared selected (i.e., stellar mass selected) dynamically close pairs of galaxies at low redshifts (z < 0.3). We combine this sample with new estimates of the major merger pair fraction for stellar mass selected galaxies at z < 0.8, from the Red Sequence Cluster Survey (RCS1). We construct our low-redshift K-band selected sample using photometry from the UKIRT Infrared Deep Sky Survey and the Two Micron All Sky Survey (2MASS) in the K band (∼2.2 μm). Combined with all available spectroscopy, our K-band selected sample contains ∼250, 000 galaxies and is >90% spectroscopically complete. The depth and large volume of this sample allow us to investigate the low-redshift pair fraction and merger rate of galaxies over a wide range in K-band luminosity. We find the major merger pair fraction to be flat at ∼2% as a function of K-band luminosity for galaxies in the range 10{sup 8}-10{sup 12} L {sub ☉}, in contrast to recent results from studies in the local group that find a substantially higher low-mass pair fraction. This low-redshift major merger pair fraction is ∼40%-50% higher than previous estimates drawn from K-band samples, which were based on 2MASS photometry alone. Combining with the RCS1 sample, we find a much flatter evolution (m = 0.7 ± 0.1) in the relation f {sub pair}∝(1 + z) {sup m} than indicated in many previous studies. These results indicate that a typical L ∼ L* galaxy has undergone ∼0.2-0.8 major mergers since z = 1 (depending on the assumptions of merger timescale and percentage of pairs that actually merge).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Determination of functional collective motions in a protein at atomic resolution using coherent neutron scattering

Protein function often depends on global, collective internal motions. However, the simultaneous quantitative experimental determination of the forms, amplitudes, and time scales of these motions has remained elusive. We demonstrate that a complete description of these large-scale dynamic modes can be obtained using coherent neutron-scattering experiments on perdeuterated samples. With this approach, a microscopic relationship between the structure, dynamics, and function in a protein, cytochrome P450cam, is established. The approach developed here should be of general applicability to protein systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Mineral Association Changes the Secondary Structure and Dynamics of Murine Amelogenin

Biomineralization proteins, present during the formation of hard tissues including bones, teeth, egg shells and nacre, result in the exquisite structures and properties of the resulting materials.[1] The structure of these proteins is often implicated in the control of the mineral properties, however very little structural data is available for the bulk of these proteins due to the difficulty in determining structures of immobilized proteins. Solid-state NMR is uniquely suited to the study of the structure of proteins bound to surfaces, demonstrated with the structural and orientation insights provided for the hydroxyapatite mineralization proteins statherin and the amelogenin, LRAP.[2] While these data are some of the only structural data available for this important class of protein, the experiments are often expensive and time consuming, due to the need to prepare and measure samples with isolated spin pairs, and are limited to a size of ~60 residues. In this work, we utilized a combination of 1D and recent 2D[3] solid-state NMR techniques along with a sparsely labelled sample to characterize the structure and dynamics of potential HAP binding residues of the 180 residue enamel protein, amelogenin. Amelogenin nanospheres and mineral bound amelogenin were investigated and a shift from unstructured to β-sheet structure was observed, along with a decrease in protein flexibility. This work provides the first molecular level structure and dynamic information of full-length amelogenin on the surface of hydroxyapatite (HAP) and within nanospheres, and demonstrates the ability to evaluate structural characteristics of large biomineralization proteins bound to their physiologically relevant surface. The research was performed at the Pacific Northwest National Laboratory (PNNL), a facility operated by Battelle for the U.S. Department of Energy, with a portion of it performed at the W.R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U.S. DOE Biological and Environmental Research program.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Speed and Memory Improvements to MCNP6 Delayed-Gamma Line Treatment

The delayed-gamma (DG) line-emission (line) sampling was first introduced into MCNPX in 2005. At the time, storage demands for problems with large numbers of DG lines was a major concern. In order to accommodate large amounts of line data while keeping the memory footprint of such a problem from exceeding memory limits, complicated logic was included to sift through various storage options. In mid-2015 concerns arose over the adequacy of the MCNP6 DG source option (inherited from MCNPX) with line sampling for modeling high-fidelity problems. One indication that there was a problem came when studying the MCNP6 produced DG spectra of U-238 and its progeny using high-fidelity spectroscopic tallies when compared to DG line amplitudes directly from ENDF/B-VII.1 emission data. Despite producing a correct integral number of gammas, the comparison to ENDF data showed a broadening in the energy lines and a reduction in the amplitude of more prominent lines. It was later found that the cause of this broadening was one of the memory-saving techniques used to store DG line data when problems required many DG lines. Specifically, the DG lines were integrated into fine energy bins for sampling. When a DG line was to be sampled, a random number would be used to choose which energy bin to sample based on emission probability. Once chosen, a second random number was used to perform nearest-line sampling in that bin. The integration of lines led to an oversampling of low-probability lines, especially when in close proximity to high-probability lines. This treatment also caused a similar issue with the time-dependent behavior of DG line emission which occurred when low-probability lines were sampled near high probability lines with the former decay constant being used. The effect on time-dependent gamma production was demonstrated in analytic benchmarks performed by Weldon et al.. To address these issues a new gamma line storage and sampling treatment was introduced in 2015. This new treatment, stores gamma emission data in a line-by-line CDF which is sampled directly, thereby resolving both the line-broadening issue, and the time-dependence issue as was demonstrated by Tutt el al.. In addition, the new DG sampling treatment was written to use dynamically dimensioned storage arrays as opposed to large fixed-dimensioned arrays, as in the former treatment, and also makes more efficient use of line data that is stored by reducing or eliminating repeated data. As a result, storage arrays are generated only for DG data relevant to the problem being executed. The result should be a reduction in both memory requirements and runtime. However, these reductions could not be realized until the logic for the old treatment could be removed. This paper provides an update on recent work which has focused on the removal of the old DG sampling logic and attempts to quantify the memory reduction and speed up of selected problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Compressive Classification for TEM-EELS

Acquiring atomic-resolution images of beam sensitive materials or under dynamic conditions (e.g. operando STEM) is very difficult and requires precise dose fractioning to minimize the dose delivered to the sample and acquire the data more rapidly than dynamics present. Typical methods of low-dose STEM imaging include adjusting the beam current, dwell-time, and probe Scanning transmission electron microscopy (STEM) is used routinely to obtain atomic-resolution images of a small selection of radiation tolerant materials under stable conditions.size. All three of these determine the dose over a spatial area in STEM. Recently, compressive sensing [1] has been applied to electron microscopy. The computational imaging method of inpainting [2] has been proposed as a method to reduce dose and increase acquisition speed for STEM. Inpainting is a technique to recover missing pixels in an image. By skipping pixels (randomly) during acquisition, a fourth dose-control mechanism is realized [3]. A few implementations of randomly-subsampled STEM exist (e.g., [4]). To make the concepts of compressive sensing accessible to the microscopy community we begin with an example using atomic resolution images of a GaAs crystal (see Figure 1). Because the crystal is periodic it has a sparse representation in reciprocal space. In fact, a sparse representation is a key component of compressive sensing. If an image is sub-sampled randomly we find that the Fourier transform remains sparse, but becomes increasing noisy as less and less data is acquired. Yet, by finding the peaks in the reciprocal image and removing the noise it is possible to recover atomic resolution images with only 1% of the pixels. Figure 1 shows the reconstruction process for GaAs sub-sampled at 50%, 10%, 5%, and 1%. Periodic images form a special class for which the optimal sampling approach (according to CS theory) is a random selection of pixels. For non-periodic images, such as those arising in in-situ STEM, methods such as dictionary learning are necessary [2,5]. The data can be compressed in time for TEM [5] or pixels can be skipped randomly for STEM. There are several issues that arise in developing a random scan for STEM [4] and a coded aperture for TEM. The remainder of the talk will address these issues. References: [1] E Candes and M Wakin. Signal Processing Magazine, IEEE. 2(25) (2008), pp. 21. [2] A Stevens, Pu Y, Sun Y, et al. Artificial Intelligence & Statistics (AISTATS), 2017. [3] A Stevens, H Yang, L Carin et al. Microscopy 63(1), (2014), pp. 41. [4] L Kovarik, A Stevens, A Liyu et al. Appl. Phys. Lett. 109, 164102 (2016). [5] A Stevens, L Kovarik, P Abellan et al. Adv. Structural and Chemical Imaging 1(10), (2015), pp. 1. [6] Supported by the Chemical Imaging, Signature Discovery, and Analytics in Motion Initiatives at PNNL. PNNL is operated by Battelle Memorial Inst. for the US DOE; contract DE-AC05-76RL01830.

Hao, Weituo↗
DOE OSTI2019

Deriving Galaxy Cluster Velocity Anisotropy Profiles from a Joint Analysis of Dynamical and Weak Lensing Data

We present an analytic approach to lift the mass-anisotropy degeneracy in clusters of galaxies by utilizing the line-of-sight velocity dispersion of clustered galaxies jointly with weak lensing inferred masses. More specifically, we solve the spherical Jeans equation by assuming a simple relation between the line-of-sight velocity dispersion and the radial velocity dispersion and recast the Jeans equation as a Bernoulli differential equation that has a well-known analytic solution. We first test our method in cosmological N-body simulations and then derive the anisotropy profiles for 35 archival data galaxy clusters with an average redshift of $\langle {z}_{c}\rangle =0.25$. The resulting profiles yield a weighted average global value of $\langle \beta (0.2\leqslant R/{R}_{200}\leqslant 1)\rangle =0.35\pm 0.28$ (stat) ±0.15 (sys). This indicates that clustered galaxies tend to globally fall on radially anisotropic orbits. We note that this is the first attempt to derive velocity anisotropy profiles for a cluster sample of this size utilizing joint dynamical and weak lensing data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Effect of relative humidity on the nonlinear elastic response of granular media

We study the influence of relative humidity (RH) on the nonlinear elastic response of granular media. Previous work has shown that the nonlinear elastic response of consolidated granular media like rocks likely arises from two distinct mechanisms; however, we do not have a clear understanding of their physical origins at the microscopic scale. Here, we conduct dynamic acousto-elastic testing (DAET) on samples of glass beads under dry (~10%), ambient (~60%), and humid (~100%) conditions at room temperature and a constant static stress of 4 MPa. DAET allows us to retrieve the full nonlinear elastic response, including transient softening and hysteretic effects. We find that the elastic nonlinearity of humid samples is an order of magnitude larger than dry samples. Moreover, we find that all extracted nonlinear parameters increase with RH. This overall increase in nonlinearity is consistent with findings from previous studies and with the hypothesis that water adsorption on the grains makes the contact junctions weaker and prone to greater disturbances when subjected to dynamic stressing. Our results also suggest that, if indeed both mechanisms coexist, they are affected in a similar fashion in these glass bead samples and cannot be distinguished by varying RH.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A laser powder bed fusion system for operando synchrotron x-ray imaging and correlative diagnostic experiments at the Stanford Synchrotron Radiation Lightsource

Laser powder bed fusion (LPBF) is a highly dynamic multi-physics process used for the additive manufacturing (AM) of metal components. Improving process understanding and validating predictive computational models require high-fidelity diagnostics capable of capturing data in challenging environments. Synchrotron x-ray techniques play a vital role in the validation process as they are the only in situ diagnostic capable of imaging sub-surface melt pool dynamics and microstructure evolution during LPBF-AM. In this article, a laboratory scale system designed to mimic LPBF process conditions while operating at a synchrotron facility is described. The system is implemented with process accurate atmospheric conditions, including an air knife for active vapor plume removal. Significantly, the chamber also incorporates a diagnostic sensor suite that monitors emitted optical, acoustic, and electronic signals during laser processing with coincident x-ray imaging. The addition of the sensor suite enables validation of these industrially compatible single point sensors by detecting pore formation and spatter events and directly correlating the events with changes in the detected signal. Experiments in the Ti–6Al–4V alloy performed at the Stanford Synchrotron Radiation Lightsource using the system are detailed with sufficient sampling rates to probe melt pool dynamics. X-ray imaging captures melt pool dynamics at frame rates of 20 kHz with a 2 µm pixel resolution, and the coincident diagnostic sensor data are recorded at 470 kHz. Furthermore, this work shows that the current system enables the in situ detection of defects during the LPBF process and permits direct correlation of diagnostic signatures at the exact time of defect formation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Inferring Strength of Tantalum from Hydrodynamic Instability Recovery Experiments

Hydrodynamic instability experiments allow access to material properties at extreme conditions, where strain rates exceed 105 s -1 and pressures reach 100 GPa. Current hydrodynamic instability experimental methods require in-flight radiography to image the instability growth at high pressure and high strain rate, limiting the facilities where these experiments can be performed. An alternate approach, recovering the sample after loading, allows measurement of the instability growth with profilometry. Tantalum samples were manufactured with different 2D and 3D initial perturbation patterns and dynamically compressed by a blast wave generated by laser ablation. The samples were recovered from peak pressures between 30 and 120 GPa and strain rates on the order of 107 s -1 , providing a record of the growth of the perturbations due to hydrodynamic instability. These records are useful validation points for hydrocode simulations using models of material strength at high strain rate. Recovered tantalum samples were analyzed, providing an estimate of the strength of the material at high pressure and strain rate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗