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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Graded microstructure and mechanical properties of spark plasma sintered Fe-Cr alloys

Developing graded microstructure and mechanical properties is critical for accelerating the design and optimization of structural materials for a wide range of applications. Here, in this study, Fe-Cr alloys were fabricated by spark plasma sintering (SPS) technique. The microstructure, microhardness, and tensile properties of the as-fabricated and thermally annealed variants were investigated. Graded grain structures were created in the as-fabricated cylinders along both axial and radial directions. Grain size was gradually reduced from the sample periphery to the center. Microhardness measurements reveal a gradual decrease of hardness towards the periphery of the samples. The as-fabricated Fe-Cr alloys show a desired combination of tensile strength and elongation, primarily due to the formation of a high density of oxides, voids, dislocations, and grain boundaries. After in-situ thermal annealing at 600 °C under 60 MPa for 2 h using SPS, the Fe-Cr alloys underwent minimal grain growth, and the graded grain structures were retained. The hardness was more uniformly distributed in the annealed variants, and the tensile strength was reduced with an increase in the total elongation, which is attributed to the dissolution of nano-sized oxide particles and the relief of the residual stress. This study demonstrates that SPS coupled with subsequent heat treatment can tailor the graded microstructure and control the mechanical properties of Fe-Cr alloys, showing potential applications in other alloy systems.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Radar-Based Bayesian Estimation of Ice Crystal Growth Parameters within a Microphysical Model

The potential for polarimetric Doppler radar measurements to improve predictions of ice microphysical processes within an idealized model–observational framework is examined. In an effort to more rigorously constrain ice growth processes (e.g., vapor deposition) with observations of natural clouds, a novel framework is developed to compare simulated and observed radar measurements, coupling a bulk adaptive-habit model of vapor growth to a polarimetric radar forward model. Bayesian inference on key microphysical model parameters is then used, via a Markov chain Monte Carlo sampler, to estimate the probability distribution of the model parameters. The statistical formalism of this method allows for robust estimates of the optimal parameter values, along with (non-Gaussian) estimates of their uncertainty. To demonstrate this framework, observations from Department of Energy radars in the Arctic during a case of pristine ice precipitation are used to constrain vapor deposition parameters in the adaptive habit model. The resulting parameter probability distributions provide physically plausible changes in ice particle density and aspect ratio during growth. A lack of direct constraint on the number concentration produces a range of possible mean particle sizes, with the mean size inversely correlated to number concentration. Consistency is found between the estimated inherent growth ratio and independent laboratory measurements, increasing confidence in the parameter PDFs and demonstrating the effectiveness of the radar measurements in constraining the parameters. Furthermore, the combined Doppler and polarimetric observations produce the highest-confidence estimates of the parameter PDFs, with the Doppler measurements providing a stronger constraint for this case.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Accelerated microwave-assisted synthesis and in situ X-ray scattering of tungsten-substituted vanadium dioxide (V 1-x W x O 2 )

Vanadium dioxide (VO 2 ) has been widely studied due to its metal-insulator phase transition at 68°C, below which it is a semiconducting monoclinic phase, P2 1 /c, and above it is a metallic tetragonal phase, P4 2 /mnm. Substituting vanadium with transition metals allows transition temperature tunability. An accelerated microwave-assisted synthesis for VO 2 and 5d tungsten substituted VO 2 presented herein decreased synthesis time by three orders of magnitude while maintaining phase purity, particle size, and transition character. Tungsten substitution amount was determined using inductively coupled plasma-optical emission spectroscopy. Differential scanning calorimetry, superconducting quantum interference device measurements, and in-situ heating and cooling experiments monitored through synchrotron x-ray diffraction (XRD) confirmed the transition temperature decreased with increased tungsten substitution. Scanning electron microscopy analyzed through the line-intercept method produced an average particle size of 3 – 5 μm. Average structure and local structure phase purity was determined through Rietveld analysis of synchrotron XRD and least-squares refinement of pair-distribution function data.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quantifying the Influence of Size, Shape, and Density of Microplastics on Their Transport Modes: A Modeling Approach

Microplastics (MPs) pose significant risks to marine ecosystems and human health, necessitating accurate predictions of their distributions in aquatic environments for effective risk mitigation. However, understanding MP transport dynamics is challenging because of the inadequate representation of MP characteristics such as size, shape, and density in numerical models. Further, the accuracy of the MP vertical profiles in existing models has not been thoroughly validated. Thus, we developed an MP transport model within the Finite Volume Community Ocean Model framework (FVCOM-MP) by integrating MP characteristics. We validated FVCOM-MP against experimental and analytical data, focusing on various MP transport modes and transitions. FVCOM-MP successfully replicates MP profiles in different transport modes, including the bedload, surface-load, suspended-load, and mixed-load modes. Additionally, we introduce phase diagrams for classifying MP transport modes based on particle characteristics, enhancing our understanding of MP dynamics in aquatic systems. The transport modes for a number of real-world MP particles, including fishing line, plastic bag/bottle fragments, synthetic fibers, tire wear particles, polyvinyl chloride and expanded polystyrene pellets, were analyzed with these phase diagrams.

Microplastic transport, Settling velocity, Rising ↗
DOE OSTI2021

Forced Crowding of Colloids by Thermophoresis and Convection in a Custom Liquid Clusius–Dickel Microdevice

Here, we report a study demonstrating that simultaneous induction of a steady-state convection current and temperature gradient in a confined geometry can be an effective way to force crowding of dissolved particulates. To investigate this thermogravitationally driven concentration of particles in-situ, we developed a micro-device capable of sustaining controlled transverse temperature gradients within a 5 cm long, 0.1 mm inner diameter capillary that allowed visualization of particle movement with standard optical microscopy. Experiments were conducted on two material systems representative of nano-scale small molecules and micro-scale particles. With the small molecules (aromatic dyes, 530-790 g/mol, 1-1.5 nm) thermophoretic and gravitational effects in the micro-device resulted in an asymmetrical 2x concentration change along the capillary height over 3 days. In contrast, the concentration change under similar conditions for 40-micron diameter latex colloids is 50-fold in 30 minutes. This dramatic difference in separation times is consistent with simulations and models of thermophoresis where the thermophoretic effect scales with particle size. Induced crowding of particulates leads to formation of accumulation and depletion zones in at the bottom and top of the capillary respectively. Both the concentration of dye molecules over time in the depletion zone and spatial distribution of colloids over the entire capillary length were found to be good fits to simple first-order exponential decay functions. Furthermore, these results suggest potential applications of thermogravitational separation in developing new functional materials via thermophoretic and convective effects.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A novel network-based approach to determining measurement representation error for model evaluation of aerosol microphysical properties

Atmospheric aerosol size and abundance influence radiative effects and climate change. To date, efforts to constrain global climate models’ radiative forcing with in situ aerosol observations have been hamstrung by uncertainty. One source of error, the regional “representation error,” arises when accurate but sparse single-point measurements of atmospheric aerosol distributions are compared with a model value, assuming that the single-point measurement is representative of the model domain. The Portable Optical Particle Spectrometer network in the Southern Great Plains (POPSnet-SGP) campaign has demonstrated that a network of nearly autonomous aerosol instruments operating at ambient temperature and relative humidity (with low measurement error) may be used to quantify measurement representation error and investigate the factors introducing heterogeneity in aerosol distributions across a rural, continental background region. Measurements were made using Portable Optical Particle Spectrometer (POPS) instruments at several sites for five months across the Department of Energy’s Aerosol Radiation Measurement Southern Great Plains (ARM-SGP) User Facility in the central USA. Measurement representation error decreased with longer averaging periods (20-40 % between 1 sec and 1 day), varied between sites by 10 – 20 % for aerosol concentration 140 – 2500 nm in diameter (N_140), and was higher for aerosols > 400 nm in diameter (N_400). Our measurements also show the influence of local meteorology on aerosol surface area (A_140) and size distributions: A_140 is positively correlated with wind speed and relative humidity, negatively correlated with precipitation, and lower given westerly winds. Based on this study, we conclude that the POPSnet approach provides considerably more insight into the spatial variability in the aerosol population that can be used to constrain climate models than would be available from similar networks of PM 2.5 monitors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

The role of electric dominance for particle injection in relativistic reconnection

ABSTRACT Magnetic reconnection in relativistic plasmas – where the magnetization $\sigma \gg 1$ – is regarded as an efficient particle accelerator, capable of explaining the most dramatic astrophysical flares. We employ two-dimensional (2D) particle-in-cell simulations of relativistic pair-plasma reconnection with vanishing guide field and outflow boundaries to quantify the impact of the energy gain occurring in regions of electric dominance ($E\gt B$) for the early stages of particle acceleration (i.e. the ‘injection’ stage). Given an injection threshold energy $\epsilon ^\ast =\sigma /4$ for the particles that eventually attain energy $\epsilon _{\rm T}$ by time T, we calculate the mean fractional contribution $\zeta (\epsilon ^\ast ,\epsilon _{\rm T})$ by $E\gt B$ fields to particle energization at the time when the threshold $\epsilon ^\ast$ is reached. We find that $\zeta$ monotonically increases with $\sigma$ and $\epsilon _{\rm T}$; for $\sigma \gtrsim 50$ and $\epsilon _{\rm T}/\sigma \gtrsim 8$, we find that $\gtrsim 80~{{\ \rm per\ cent}}$ of the energy gain obtained before reaching $\epsilon ^\ast =\sigma /4$ occurs in $E\gt B$ regions. We find that $\zeta$ is independent of simulation box size $L_x$, as long as $\epsilon _{\rm T}$ is normalized to the maximum particle energy, which scales as $\epsilon _{\rm max}\propto L_{\rm x}^{1/2}$ in 2D. The distribution of energy gains $\epsilon _{\chi }$ acquired in $E\gt B$ regions can be modelled as $\mathrm{ d}N/\mathrm{ d}\epsilon _{\chi }\propto \epsilon _{\chi }^{-0.35}\exp [-(\epsilon _{\chi }/0.06\, \sigma)^{0.5}]$. Our results help assess the role of electric dominance in relativistic reconnection with vanishing guide fields, which is realized in the magnetospheres of black holes and neutron stars.

Gupta, Sanya (ORCID:0000000151944384)↗
DOE OSTI2023

Molecular dynamics analysis of particle number fluctuations in the mixed phase of a first-order phase transition

Molecular dynamics simulations are performed for a finite nonrelativistic system of particles with Lennard-Jones potential. We study the effect of liquid-gas mixed phase on particle number fluctuations in coordinate subspace. A metastable region of the mixed phase, the so-called nucleation region, is analyzed in terms of a noninteracting cluster model. Large fluctuations due to spinodal decomposition are observed. They arise due to the interplay between the size of the acceptance region and that of the liquid phase. These effects are studied with a simple geometric model. The model results for the scaled variance of particle number distribution are compared with those obtained from the direct molecular dynamic simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Data Report: UT-GOM2-1 Sediment Grain Size Measurements at Site GC 955, Holes H002 and H005

Sediment grain size measurement in marine sediments provides a record of the stratigraphic variation in grain size and thus energy regime at the time of deposition. In addition to the grain size distribution, the degree of sediment sorting can also be calculated, and together they both influence primary sediment porosity and permeability. Here we present sediment grain size results from laser diffraction particle size analysis of samples from pressure cores collected during the 2017 UT GOM2-1 Expedition. We measured both bulk sediment and organic carbon-free sediment fractions for 46 samples and organic carbon-free sediment for 5 samples at Site GC 955, Holes H002 and H005. Differences between the bulk sediment and organic carbon-free fractions reflect the relative amount and size fraction of the organic carbon. The sample results presented here represent the grain size variation of the host lithology across the Green Canyon (GC) 955 gas hydrate reservoir.

03 NATURAL GAS↗
DOE OSTI2023

Develop and Connect TRISO Failure Analysis and Uncertainty Quantification to Fission Product Release Calculation Capability

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering-scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. Stress-based failure probability has been developed and analyzed to assess the integrity of tri-structural isotropic (TRISO) fuel particles during fuel life cycles. While simple, stress-based approaches to failure probability leveraging the Weibull statistical distribution entails a number of drawbacks when stress concentration occurs near crack tips, including finite element mesh size dependency. In this report, we use an interaction integral approach to the computation of stress intensity factors in functionally graded materials (FGM) for axisymmetric models. The inner pyrolytic carbon (IPyC) cracking induced silicon carbide (SiC) failure is one of the dominated failure modes in TRISO failure analysis. In this study, we consider a crack in the IPyC layer perpendicular to the SiC layer. The interface between these two TRISO layers is considered to be porous, which we simulate considering a transition of mechanical properties over the porous length. These aspects are considered in the computation of stress intensity factor (SIF) from a fracture mechanics approach and compared with the known stress-based failure probability approach.

42 ENGINEERING↗
DOE OSTI2023

Vertical Gradient of Size-Resolved Aerosol Compositions over the Arctic Reveals Cloud Processed Aerosol in-Cloud and above Cloud

Arctic aerosols play a significant role in the aerosol-radiation and aerosol-cloud interactions, but ground-based measurements are insufficient to explain the interaction of aerosols and clouds in a vertically stratified Arctic atmosphere. This study shows the vertical variability of aerosol particle composition via tethered balloon system at Oliktok Point, Alaska, in August 2019, at different cloud layers for two case studies (background aerosol condition and polluted condition). Multi-modal micro-spectroscopy analysis of samples during the background case reveals a broadening of chemically specific size distribution above cloud top with a high abundance of sulfate and core-shell morphology, suggesting possible cloud processing of aerosols. The pollution case also indicates a broadening of size distribution at the upper cloud layer with the dominance of carbonaceous aerosol, which suggests the potential of carbonaceous aerosols for Arctic cloud formation. Here this study provides insights into the vertical profile of Arctic aerosols on cloud formation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Measurements of $\pi ^\pm $, $K^\pm $, p and $\bar{p}$ spectra in $^7$Be+$^9$Be collisions at beam momenta from 19A to 150A ${\mathrm{Ge} \mathrm{V}}\!/\!c$ with the NA61/SHINE spectrometer at the CERN SPS

The NA61/SHINE experiment at the CERN Super Proton Synchrotron (SPS) studies the onset of deconfinement in hadron matter by a scan of particle production in collisions of nuclei with various sizes at a set of energies covering the SPS energy range. This paper presents results on inclusive double-differential spectra, transverse momentum and rapidity distributions and mean multiplicities of $\pi^, \pm K^\pm$ p and $\bar{p}$ produced in the 20% most central Be+$^9$ Be collisions at beam momenta of 19A, 30A, 40A, 75A and 150A ${\mathrm{Ge} \mathrm{V}}\!/\!c$. The energy dependence of the $K^\pm/ \pi^\pm$ ratios as well as of inverse slope parameters of the $K^\pm$ transverse mass distributions are close to those found in inelastic $p+p$ reactions. The new results are compared to the world data on $p+p and Pb+Pb collisions as well as to predictions of the Epos , U r qmd , Ampt , Phsd and Smash models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

DEM simulation of the compression of crushable sand: does the initial particle shape matter?

Advances in DEM modeling, combined with high-resolution X-ray tomography, opened the way for computer models based on virtual replicas of the particles which preserve nearly all facets of their geometry. This leads to simulation advantages, but also high computational costs. Here we tackle a question stemming from this trend: how accurate should particle models be to ensure accuracy? We address this question for the case of the compression of crushable sand. LS-DEM was used to generate three models of Ottawa sand (exact replicas, ellipsoids, and spheres) from digital images of its grains. Compression-induced crushing was simulated for all sets by tracking evolving size and shape distribution. The results confirm that exact replicas provide the closest match of the measurements. However, intermediate degrees of rendering (e.g. ellipsoids preserving volume and aspect ratio of the real grains) led to satisfactory results only marginally different from those of exact replicas. In conclusion, these findings provide an example of the protocols that may be followed to identify the optimal degree of particle approximation which should be regarded as mandatory to achieve a conscious, sustainable use of computational resources.

58 GEOSCIENCES↗
DOE OSTI2020

The effect of Zr on precipitation in oxide dispersion strengthened FeCrAl alloys

Oxide dispersion strengthened (ODS) FeCrAl alloys are promising candidate materials for advanced nuclear reactor applications requiring high-temperature strength, corrosion resistance, and irradiation tolerance. As these alloys have increased in compositional complexity through attempts to use highly reactive elements such as Zr to refine particle sizes and optimize nanoprecipitate dispersion characteristics, much debate has ensued as to the effects of these alloying element additions on alloy properties. In an attempt to reconcile differences in nanoprecipitate distributions reported in the literature over the past decade, a detailed investigation of a recently developed ODS FeCrAl alloy with nominal composition Fe–10Cr-6.1Al-0.3Zr+0.3Y 2 O 3 is presented here using a combination of atom probe tomography (APT), scanning/transmission electron microscopy (S/TEM), and computational thermodynamics modeling. It is illustrated that based on the amount of Zr available in the lattice, Zr competes with Al and Cr to form carbides and nitrides as opposed to oxygen-rich precipitates. This alloy system has a high number density (>10 23 m -3 ) of ~2–4 nm diameter (Y,Al,O)-rich nanoprecipitates, but it is shown that due to the compositional spread and unknown partitioning of Al between the matrix and precipitates, significant challenges still exist for quantifying the exact compositions of these precipitates using APT. However, the noted compositional spread is supported by identified complex oxides yttrium aluminum monoclinic (YAM) and yttrium aluminum garnet (YAG) using S/TEM. As a result of these findings, researchers developing ODS FeCrAl with reactive element additions must pay careful attention to C and N impurities when optimizing reactive element additions.

electron microscopy↗
DOE OSTI2024

Cloud Processing of Aerosol during SAIL Field Campaign Report

Globally, on average, the release rate of aerosols from clouds is estimated to be about 6,000 Tg/yr and an aerosol particle is estimated to experience about three cloud cycles. Cloud processing of aerosol produces aerosols that have dramatically different physicochemical properties compared to their original form. Cloud processing may transform particles to efficient cloud condensation nuclei (CCN) or ice nucleating particles (INP) that can further participate in cloud formation. We investigated cloud processing of aerosol during the U.S. Department of Energy (DOE)’s Atmospheric Radiation Measurement (ARM) Surface Atmosphere Integrated Field Laboratory (SAIL) field campaign using multi-modal offline analysis techniques available at DOE’s Environmental Molecular Sciences Laboratory (EMSL). The main scientific aim of this project was to understand the processes that transform aerosols (chemically, and physically), and influence aerosol-cloud interactions. Aerosol particles undergo significant modifications due to warm (cloud droplets) and cold cloud (ice crystals) processing. Cloud processing of aerosol has important effects on the atmospheric aerosol number and mass concentration, size distribution, phase separation, and chemical composition.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Coastal Cloud Chemistry during EPCAPE Field Campaign Report

For this campaign, Principal Investigator Markus Petters deployed a suite of instruments inside Lynn Russell’s container that was sited at Mt. Soledad during the Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE) campaign. Funding for this activity was provided by National Science Foundation Award 2410536. The instrument rack (Figure 1) included a differential mobility analyzer, a condensation particle counter, a portable optical particle spectrometer, and a continuous flow diffusion cloud condensation nuclei counter (CCN). The instruments sampled from a counterflow virtual impactor (CVI) inlet and an isokinetic inlet. The measurements provided aerosol size distribution, size-resolved CCN activity, and denuded versus undenuded CCN activity of aerosols and cloud drop residuals.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Experimental Report: Multi-Instrument Comparison of AAF Condensation Particle Counters

Condensation particle counters (CPCs), also known as condensation nucleus counters (CNCs) are sophisticated instruments designed to measure the concentration of aerosol particles in the atmosphere. These devices are pivotal in environmental monitoring, industrial applications, and scientific research, particularly in atmospheric studies. CPCs are vital for understanding the role of aerosols in climate systems. Aerosols influence cloud formation, radiative forcing, and atmospheric chemistry. By providing accurate measurements of particle concentrations and distributions, CPCs contribute to models that predict atmospheric impact and weather patterns (Mei et al. 2021). CPCs operate by enlarging submicron particles, including those as small as a few nanometers, to sizes detectable by optical methods. This report delves into the mechanisms, importance, and contributions of CPCs to atmospheric research at the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) Aerial Facility (AAF), highlighting their role in advancing air quality assessment, pollution control, and atmospheric studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Earth System Model Aerosol–Cloud Diagnostics (ESMAC Diags) package, version 1: assessing E3SM aerosol predictions using aircraft, ship, and surface measurements

Abstract. An Earth system model (ESM) aerosol–cloud diagnostics package is developed to facilitate the routine evaluation of aerosols, clouds, and aerosol–cloud interactions simulated by the Energy Exascale Earth System Model (E3SM) from the US Department of Energy (DOE). The first version focuses on comparing simulated aerosol properties with aircraft, ship, and surface measurements, which are mostly measured in situ. The diagnostics currently cover six field campaigns in four geographical regions: eastern North Atlantic (ENA), central US (CUS), northeastern Pacific (NEP), and Southern Ocean (SO). These regions produce frequent liquid- or mixed-phase clouds, with extensive measurements available from the Atmospheric Radiation Measurement (ARM) program and other agencies. Various types of diagnostics and metrics are performed for aerosol number, size distribution, chemical composition, cloud condensation nuclei (CCN) concentration, and various meteorological quantities to assess how well E3SM represents observed aerosol properties across spatial scales. Overall, E3SM qualitatively reproduces the observed aerosol number concentration, size distribution, and chemical composition reasonably well, but it overestimates Aitken-mode aerosols and underestimates accumulation-mode aerosols over the CUS and ENA regions, suggesting that processes related to particle growth or coagulation might be too weak in the model. The current version of E3SM struggles to reproduce the new particle formation events frequently observed over both the CUS and ENA regions, indicating missing processes in current parameterizations. The diagnostics package is coded and organized in a way that can be extended to other field campaign datasets and adapted to higher-resolution model simulations.

54 ENVIRONMENTAL SCIENCES↗