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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

FSISPH: An SPH formulation for impacts between dissimilar materials

Here, we present an SPH formulation with several new features designed to better model the fully-compressible interaction of dissimilar materials. We developed the new method to simulate the atmospheric entry and break-up of small celestial bodies in planetary atmospheres. The formulation uses a unity-based, density-energy discretization of the hydrodynamic conservation laws with linear-corrected kernel gradients. To account for variations in compressibility, we use an HLLC approximate Riemann solver to adjust the velocity gradient at material interfaces. To handle large transverse velocity discontinuities, we introduce a simple slip interface model that limits the artificial viscosity at material interfaces. Diffusion is optionally applied through the velocity gradient and this allows the density and specific thermal energy to evolve in a manner more consistent with the first law of thermodynamics in comparison to other more direct diffusion schemes. We also introduce a material-local second-order artificial conduction scheme used to smooth the specific thermal energy field. Material damage fits neatly under this framework by treating the damage front as a material interface. The method has been implemented as a solver, FSISPH, within the code, Spheral++, and is publicly available on github. We test our new solver on a number of classic shock, mixing, and multi-material problem. The components we outline can significantly improve accuracy of SPH for problems with sharp contact discontinuities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Analysis of the High-Pressure High-Temperature (HPHT) growth of single crystal diamond

A multi-scale, computational model is developed to describe the growth characteristics of single-crystal diamond in the High-Pressure, High-Temperature (HPHT) process. This model is the first to connect phase-change kinetics governing crystal growth to the continuum transport of carbon through the growth cell. Results show the importance of convective transport driven by buoyant flow in the metallic solvent, which increases the growth rate by nearly an order of magnitude over that obtained under diffusion alone. Parametric studies show how crystal growth may be kinetically-limited or transport-limited, depending on the value of the macroscopic kinetic coefficient. Estimating this kinetic coefficient from growth experiments yields a phase-change Damköhler number of unity, indicating a mixed regime where phase-change kinetics and transport are comparable and strongly coupled in this system. Mechanisms responsible for slowing growth as the crystal size increases are explained. Finally, supersaturation inhomogeneities along the facets of larger crystals are predicted, which may be relevant to solvent inclusion formation during growth.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Comparison of fiber-optic distributed temperature sensing and high-sensitivity sensor spatial surveying of stream temperature

Measuring surface water temperature spatial variability is needed to estimate the interaction between surface water and groundwater, evaluate fish habitat and thermal inertia, and to estimate streamflow frequency and duration. Fiber optic distributed temperature sensing (FO-DTS) has been used in rivers and lakes, providing high-resolution and sensitive temperature monitoring over large temporal and spatial scales. However, in streams with cobbly or bedrock-lined streambeds and variable bathymetry, use of FO-DTS to measure temperature close to the surface water and groundwater interface can be challenging if even feasible. FO-DTS can also be costly, involve difficult installations, and require an advanced understanding of the technology, calibration, and data processing. In this study, we compared FO-DTS stream temperature survey results to an alternative temperature survey method employing a towed transect of high-resolution temperature loggers spaced at 1-m and transported in the stream along the study reach, to measure the spatial distribution of stream-water temperature in East Fork Poplar Creek near Oak Ridge, Tennessee, USA. We assessed the applicability and limitations of the two methods, and quantitatively compared in-situ temperature survey results measured simultaneously with each method. Regression results showed strong temporal and spatial correlation between the two methods. Differences were only elevated near the stream banks in areas that were coincident with correlation slope deviations from unity, which was attributed to shallower water and lower data density. Kriging standard errors were also low at channel center with minor increases near the stream banks. Furthermore, the results suggested that the array of the individual temperature sensors can provide a practical alternative to FO-DTS for thermal characterization of surface water, providing slightly lower spatial and temporal resolution, but with higher accuracy of temperature measurement, with greater simplicity, and with a broader range of conditions where it may be applied.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Multi-physics melt pool modeling and process optimization for laser direct energy deposition of Nb-based refractory C103: Defect formation, geometric precision, and process mapping

Recent developments in additive manufacturing (AM) technology have reignited interest in the fabrication of the Nb-based refractory C103 alloy offering solutions to the challenges posed by traditional manufacturing methods. However, the limited numerical and experimental studies on laser direct energy deposition (DED) of C103 have hindered the understanding of the relationships between process parameters and build quality. This has made it challenging to consistently produce parts with the desired quality and microstructure suitable for critical applications. In this study, we focus on optimizing the laser DED process for C103 by employing a hybrid approach that combines experimental techniques and computational fluid dynamics (CFD). This approach facilitates the development of process maps for defect detection and geometric precision. To achieve this, multi-layer C103 samples were fabricated using laser DED under various process parameters, enabling the creation of a process map for defect detection. Additionally, a multi-physics, multiphase simulation framework was developed within a high-performance computing (HPC) environment to establish process maps for geometric precision. Using these process maps, printability windows were identified for achieving both the desired geometric accuracy and defect-free prints. It was observed that prints with a power-to-velocity (P/V) ratio close to unity resulted in defect-free outcomes. This study provides a foundation for reducing design lead time and rejected parts, ultimately optimizing the laser DED process for C103.

Defect formation and geometric precision↗
DOE OSTI2016

Modeling irradiation creep of graphite using rate theory

In this work we examined irradiation induced creep of graphite in the framework of transition state rate theory. Experimental data for two grades of nuclear graphite (H-337 and AGOT) were analyzed to determine the stress exponent (n) and activation energy (Q) for plastic flow under irradiation. Here we show that the mean activation energy lies between 0.14 and 0.32 eV with a mean stress-exponent of 1.0 ± 0.2. A stress exponent of unity and the unusually low activation energies strongly indicate a diffusive defect transport mechanism for neutron doses in the range of 3-4 x 10 22 n/cm 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2016

Neutron-irradiation creep of silicon carbide materials beyond the initial transient

Irradiation creep beyond the transient regime was investigated for various silicon carbide (SiC) materials. Here, the materials examined included polycrystalline or monocrystalline high-purity SiC, nanopowder sintered SiC, highly crystalline and near-stoichiometric SiC fibers (including Hi-Nicalon Type S, Tyranno SA3, isotopically-controlled Sylramic and Sylramic-iBN fibers), and a Tyranno SA3 fiber–reinforced SiC matrix composite fabricated through a nano-infiltration transient eutectic phase process. Neutron irradiation experiments for bend stress relaxation tests were conducted at irradiation temperatures ranging from 430 to 1180 °C up to 30 dpa with initial bend stresses of up to ~1 GPa for the fibers and ~300 MPa for the other materials. Initial bend stress in the specimens continued to decrease from 1 to 30 dpa. Analysis revealed that (1) the stress exponent of irradiation creep above 1 dpa is approximately unity, (2) the stress normalized creep rate is ~1 × 10 –7 [dpa –1 MPa –1 ] at 430–750 °C for the range of 1–30 dpa for most polycrystalline SiC materials, and (3) the effects on irradiation creep of initial microstructures—such as grain boundary, crystal orientation, and secondary phases—increase with increasing irradiation temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A dynamically bare metal interface enables reversible magnesium electrodeposition at 50 mAh cm −2

Understanding and facilitating pure magnesium nucleation/growth electrodeposition behavior with ultrahigh Coulombic efficiency is complicated by the phenomenon of solid electrolyte interphase (SEI) formation in state-of-the-art, halogen-free magnesium electrolytes. Defining the electrolyte properties necessary to achieve ideal electrodeposition/stripping (E/S) thus remains elusive. Here, in this work, we reveal for the first time, rapid magnesium electrodeposition behavior that forms densely aligned, micron-sized thin platelets by establishing a dynamic bare magnesium/electrolyte interface during high-rate net plating. This effectively “SEI-free” interface allows facile magnesium diffusion and migration in stripping with near-unity E/S efficiency under demanding conditions over long-term cycling. The intrinsic electrolyte stability of the salt/solvent at the molecular level is the key to forming such an interface. The efficacy of the dynamic bare interface and an electrodeposited, free-standing magnesium anode is demonstrated in a high-areal-capacity full cell. These findings provide new design principles and fundamental understanding of interfacial chemistry in multivalent metal batteries.

Mg full cell↗
DOE OSTI2015

Thermal and electrochemical behavior of Cu{sub 4−x}Li{sub x}S{sub 2} (x=1, 2, 3) phases

Several compositions of the Cu{sub 4−x}Li{sub x}S{sub 2} (x=1, 2, 3) series were synthesized via solid-state reaction of the elements. The structural stability at various temperatures and the effect of Li:Cu ratio on the thermal conductivity and the electrochemical performance of Cu{sub 4−x}Li{sub x}S{sub 2}/Li half-cells during charge–discharge process were investigated. Differential scanning calorimetry (DSC) measurements showed a sharp endothermic peak at 140 °C for Cu{sub 4−x}Li{sub x}S{sub 2} samples with x=1 and 2, which is ascribed to a structural phase transition. X-ray diffraction (XRD) measurements on various Cu{sub 4−x}Li{sub x}S{sub 2} samples at temperatures below and above 140 °C indicated a structural phase transition from the room temperature low-symmetry structure to the high temperature cubic structure of Cu{sub 2}S. The thermal conductivity of Cu{sub 4−x}Li{sub x}S{sub 2} samples decreases with decreasing Cu:Li ratio and with increasing temperature. The thermal conductivity of Cu{sub 4−x}Li{sub x}S{sub 2} samples at room temperature decreases from 1.2 W/m K for Cu:Li=3:1 to 0.7 W/m K for Cu:Li=1:3. Cyclic voltammetry of Cu{sub 4−x}Li{sub x}S{sub 2}/Li half-cells showed that high discharge capacity (165 mA h g{sup −1}) and stable reversible charge–discharge process is observed for Cu:Li=2:2, whereas other Cu:Li ratios lead to low discharge capacity and poor reversibility. The electrochemical behavior of Cu{sub 4−x}Li{sub x}S{sub 2}/Li half-cells is rationalized by taking into account the competing reactions of Li{sup +} ions with CuS and Cu{sub 2}S during discharge. - Graphical abstract: Tuning Li content in Cu{sub 4−x}Li{sub x}S{sub 2}/Li half-cells to maintain a Cu/Li ratio equal to unity affords maximum capacity and high stability of the charge–discharge process. - Highlights: • Cu:Li ratio strongly influenced crystal structure and properties of Cu{sub 4-x}Li{sub x}S{sub 2}. • Compositions with x = 1 and 2 undergo structural transformation at above 140 °C. • Thermal conductivity of Cu{sub 4-x}Li{sub x}S{sub 2} phases increases with decreasing Cu:Li ratio. • Stability of Cu{sub 4-x}Li{sub x}S{sub 2}/Li half-cells decreases with Cu:Li ratio. • Initial charge capacity of Cu{sub 4-x}Li{sub x}S{sub 2}/Li half-cells increases with Cu:Li ratio.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Dense Ru single-atoms integrated with sulfoacids for cellulose valorization to isosorbide

Metal-acid bifunctional catalysts are the unity of two opposites (metal-acid repelling) for cellulosic biomass valorization to isosorbide. It is challenging to improve the selectivity of metal hydrogenation catalysts and their synergism with acids for catalytic hydrolysis and dehydration to achieve substantial isosorbide. Herein, dense Ru single-atoms (10.1 wt% of Ru SAs) are anchored on sulfoacid-functionalized hollow mesoporous carbon shells, designed by assembling silica and 8-hydroxyquinoline-modified chitosan (HQ-CTS) through in situ Stöber templating strategy before pyrolysis and acid treatment. Based on X-ray absorption fine structure and computational modeling results, the structure of Ru SAs is determined as RuN 4 , which is more selective for a transitional glucose hydrogenation to sorbitol than Ru001 of Ru clusters. A lower-energy barrier of 1.21 (0.72) eV is delivered over RuN 4 (Ru001) for glucose hydrogenation (isomerization). These Ru SAs are integrated with sulfoacids (SO 3 H) but resistent against acids, rendering enhanced isosorbide yield in water as compared to Ru clusters, via a one-pot cascade reaction under harsh conditions (220 °C, 6 MPa H 2 ). The elaborately fabricated dense Ru SAs and sulfoacids, achieved by varying the addition time of HQ-CTS during the in situ Stöber templating process, improve the synergism of glucose hydrogenation with cellulose hydrolysis and sorbitol dehydration. In conclusion, this study provides a new idea for rational design of high-performance metal-acid bifunctional catalysts toward one-pot conversion of cellulose to isosorbide.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Superconducting nanowires as high-rate photon detectors in strong magnetic fields

Superconducting nanowire single photon detectors are capable of single-photon detection across a large spectral range, with near unity detection efficiency, picosecond timing jitter, and sub-10 µm position resolution at rates as high as 10 9 counts/s. In an effort to bring this technology into nuclear physics experiments, we fabricate Niobium Nitride nanowire detectors using novel material preparation methods and test their performance in strong magnetic fields. Furthermore, we demonstrate that these devices are capable of detection of 400 nm wavelength photons with saturated internal quantum efficiency at liquid helium temperatures and in magnetic fields potentially up to 8 T at high rates and with nearly zero dark counts.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Measurement of low-$p_T$ $D^+$ meson production cross-section at CDF II

In this paper I report on a measurement of the low- p T D + -meson production cross-section in proton-antiproton collisions at 1.96 TeV center-of-mass energy, using the full data set collected by the CDF experiment at the Tevatron collider during Run II. The measurement is performed in a yet unexplored low transverse momentum range, down to 1.5 GeV/ c . The actual QCD theory cannot predict the behavior of the strong interactions in the low transferred-four-momentum region because in these kinematic conditions the strong coupling constant is of the order of the unity. Thus, a perturbative expansion is not useful. At present, several phenomenological models have been proposed, but they are able to describe only a few aspects of the observed physical quantities and not the full complexity. Experimental results in these conditions are then crucial to test new QCD models. The measurement of the differential cross section at low p T plays an important role in this context allowing refinement of current knowledge. While these results lie within the band of theoretical uncertainty, differences in shape suggest that theoretical predictions can benefit from further refinement taking account of them.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Transverse-momentum and event-shape dependence of D-meson flow harmonics in Pb–Pb collisions at s NN = 5.02 TeV

The elliptic and triangular flow coefficients v 2 and v 3 of prompt D 0 , D + , and D * + mesons were measured at midrapidity ( | y | < 0.8 ) in Pb–Pb collisions at the centre-of-mass energy per nucleon pair of s NN = 5.02 TeV with the ALICE detector at the LHC. The D mesons were reconstructed via their hadronic decays in the transverse momentum interval 1 < p T < 36 GeV / c in central (0–10%) and semi-central (30–50%) collisions. Compared to pions, protons, and J / ψ mesons, the average D-meson v n harmonics are compatible within uncertainties with a mass hierarchy for p T ≲ 3 GeV / c , and are similar to those of charged pions for higher p T . The coupling of the charm quark to the light quarks in the underlying medium is further investigated with the application of the event-shape engineering (ESE) technique to the D-meson v 2 and p T -differential yields. The D-meson v 2 is correlated with average bulk elliptic flow in both central and semi-central collisions. Within the current precision, the ratios of per-event D-meson yields in the ESE-selected and unbiased samples are found to be compatible with unity. All the measurements are found to be reasonably well described by theoretical calculations including the effects of charm-quark transport and the recombination of charm quarks with light quarks in a hydrodynamically expanding medium.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Measurement of cold nuclear matter effects for inclusive J / ψ in p +Au collisions at s NN = 200 GeV

Measurement by the STAR experiment at RHIC of the cold nuclear matter (CNM) effects experienced by inclusive J / ψ at mid-rapidity in 0-100% p +Au collisions at s NN = 200 GeV is presented. Such effects are quantified utilizing the nuclear modification factor, R p Au , obtained by taking a ratio of J / ψ yield in p +Au collisions to that in p + p collisions scaled by the number of binary nucleon-nucleon collisions. The differential J / ψ yield in both p + p and p +Au collisions is measured through the dimuon decay channel, taking advantage of the trigger capability provided by the Muon Telescope Detector in the RHIC 2015 run. Consequently, the J / ψ R p Au is derived within the transverse momentum ( p T ) range of 0 to 10 GeV/ c . A suppression of approximately 30% is observed for p T < 2 GeV/ c , while J / ψ R p Au becomes compatible with unity for p T greater than 3 GeV/ c , indicating the J / ψ yield is minimally affected by the CNM effects at high p T . Comparison to a similar measurement from 0-20% central Au+Au collisions reveals that the observed strong J / ψ suppression above 3 GeV/ c is mostly due to the hot medium effects, providing strong evidence for the formation of the quark-gluon plasma in these collisions. Several model calculations show qualitative agreement with the measured J / ψ R p Au , while their agreement with the J / ψ yields in p + p and p +Au collisions is worse.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Elliptic flow of charged particles at midrapidity relative to the spectator plane in Pb–Pb and Xe–Xe collisions

Measurements of the elliptic flow coefficient relative to the collision plane defined by the spectator neutrons v 2 {$Ψ_{SP}$} in collisions of Pb ions at center-of-mass energy per nucleon–nucleon pair $\sqrt{s_{NN}}=$ 2.76 TeV and Xe ions at $\sqrt{s_{NN}}=$ 5.44 TeV are reported. The results are presented for charged particles produced at midrapidity as a function of centrality and transverse momentum for the 5–70% and 0.2–6 GeV/c ranges, respectively. The ratio between v 2 {$Ψ_{SP}$} and the elliptic flow coefficient relative to the participant plane v 2 {4}, estimated using four-particle correlations, deviates by up to 20% from unity depending on centrality. This observation differs strongly from the magnitude of the corresponding eccentricity ratios predicted by the T R ENTo and the elliptic power models of initial state fluctuations that are tuned to describe the participant plane anisotropies. The differences can be interpreted as a decorrelation of the neutron spectator plane and the reaction plane because of fragmentation of the remnants from the colliding nuclei, which points to an incompleteness of current models describing the initial state fluctuations. A significant transverse momentum dependence of the ratio v 2 {$Ψ_{SP}$} /v 2 {4} is observed in all but the most central collisions, which may help to understand whether momentum anisotropies at low and intermediate transverse momentum have a common origin in initial state fluctuations. The ratios of v 2 {$Ψ_{SP}$} and v 2 {4} to the corresponding initial state eccentricities for Xe–Xe and Pb–Pb collisions at similar initial entropy density show a difference of (7.0 ± 0.9)% with an additional variation of +1.8% when including RHIC data in the T R ENTo parameter extraction. These observations provide new experimental constraints for viscous effects in the hydrodynamic modeling of the expanding quark–gluon plasma produced in heavy-ion collisions at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Measurement of beauty-strange meson production in Pb–Pb collisions at s NN = 5.02 TeV via non-prompt D s + mesons

The production yields of non-prompt ${D}^{+}_{s}$ mesons, namely ${D}^{+}_{s}$ mesons from beauty-hadron decays, were measured for the first time as a function of the transverse momentum ($p_T$) at midrapidity (|$y$| < 0.5) in central and semi-central Pb–Pb collisions at a centre-of-mass energy per nucleon pair $\sqrt{s{NN}}$ = 5.02 TeV with the ALICE experiment at the LHC. The ${D}^{+}_{s}$ mesons and their charge conjugates were reconstructed from the hadronic decay channel ${D}^{+}_{s}$ → $φπ^+$, with $φ$ → K - K + , in the 4 < $p_T$ < 36 GeV/c and 2 < $p_T$ < 24 GeV/ $c$ intervals for the 0–10% and 30–50% centrality classes, respectively. The measured yields of non-prompt ${D}^{+}_{s}$ mesons are compared to those of prompt ${D}^{+}_{s}$ and non-prompt $D^0$ mesons by calculating the ratios of the production yields in Pb–Pb collisions and the nuclear modification factor $R_{AA}$. The ratio between the $R_{AA}$ of non-prompt ${D}^{+}_{s}$ prompt ${D}^{+}_{s}$ mesons, and that between the $R_{AA}$ of non-prompt ${D}^{+}_{s}$ and non-prompt $D^0$ mesons in central Pb–Pb collisions are found to be on average higher than unity in the 4 < $p_T$ < 12 GeV/ $c$ interval with a statistical significance of about 1.6σ and 1.7σ, respectively. The measured $R_{AA}$ ratios are compared with the predictions of theoretical models of heavy-quark transport in a hydrodynamically expanding QGP that incorporate hadronisation via quark recombination.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for non-resonant production of semi-visible jets using Run 2 data in ATLAS

Semi-visible jets, with a significant contribution to the event's missing transverse momentum, can arise in strongly interacting dark sectors. This results in an event topology where one of the jets can be aligned with the direction of the missing transverse momentum. The first search for semi-visible jets produced via a t-channel mediator exchange is presented. The analysis uses proton-proton collisions with an integrated luminosity of 139 fb —1 and a centre-of-mass energy of 13 TeV, collected with the ATLAS detector during the Run 2 of the LHC. No excess over Standard Model predictions is observed. Assuming a coupling strength of unity between the mediator, a Standard Model quark and a dark quark, mediator masses up to 2.7 TeV are excluded at the 95% confidence level. Upper limits on the coupling strength are also derived.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗