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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The Grey Zone Test Range Integrated Urban Simulation Environment

Sandia National Laboratories is part of the government test and evaluation team for the Defense Advanced Research Projects Agency Collection and Monitoring via Planning for Active Situational Scenarios program. The program is designed to better understand competition in the area between peace and conventional conflict when adversary actions are subtle and difficult to detect. For the purposes of test and evaluation, Sandia conducted a range of activities for the program: creation of the Grey Zone Test Range; design of the data stream for a user experiment conducted with U.S. Indo-Pacific Command; design, implementation, and execution of the formal evaluation; and analysis and summary of the evaluation results. This report details Sandia's activities and provides additional information on the Grey Zone Test Range urban simulation environment developed to evaluate the performer technologies.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

Isospin dependence of Nucleon-Nucleon Short-range Correlations in Inclusive Scattering with Tritium and Helium-3

The nucleon-nucleon (NN) potential has a strong repulsive core. When a two-nucleon (sub)system falls into this range, they will interact strongly at short distance, and move away from each other with momenta above the Fermi level. This is called the NN Short range Correlations (SRCs). Previous experiments reported a neutron-proton pair (isos inglet) dominance in high-momentum nucleons. In inclusive electron scattering, this np dominance will cause a scaling behavior of cross sections at 1.4 < xbj = Q2/2m? < 2 where the high-momentum nucleons dominate. At Je?erson Lab Hall A we checked this hypothesis with electron Quasi-elastic (QE) scattering on A=3 nuclei systems. Our unique gas cell design made electron-tritium scattering possible for the ?rst time in a decade. The 2H, 3H, and 3He inclusive cross sections at 1 < xbj < 3 were measured in two experiments (E12-11-112 and E12-14-011) with a wide Q2 range (0.4 < Q2 < 3 GeV2). This thesis dis cusses the physics goals, experiment setup, and data analysis of the E12-11-112 experiment. Ratios of 3H/2H, 3He/2H and 3H/3He as well as absolute cross sections are presented at 0.4 < Q2 < 1.8 GeV2. NN SRC plateaus are observed in the cross section ratios at high Q2. The 3H/3He ratio of 0.84±0.01 at NN SRC dominant kinematics indicates a np to pp SRC pair ratio of 2.2±0.2 in A=3 nuclei. That implies a preference in T = 0 isospin singlet con?guration. No plateaus are observed at xbj > 2.

Li, Shujie↗
DOE OSTI2021

SAR Geolocation Using Range-Only Multilateration

Radar is by its basic nature a ranging instrument. If radar range measurements from multiple directions can be made and assembled, then multilateration allows locating a feature common to the set of Synthetic Aperture Radar (SAR) images to an accurate 3-D coordinate. The ability to employ effective multilateration algorithms is highly dependent on the geometry of the data collections, and the accuracy with which relative range measurements can be made. The problem can be cast as a least-squares exercise, and the concept of Dilution of Precision can describe the accuracy and precision with which a 3-D location can be made.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

A Cultural Resource Survey of 661.5 Acres on the Tonopah Test Range (TTR), Nellis Air Force Base, Nye County, Nevada

This report presents the results of a Section 110 cultural resource survey of Pedro Lake and the surrounding area. Sandia National Laboratories’ (Sandia) cultural resources program, in collaboration with personnel from the cultural resource department from the Northern Ranges of the Nevada Test and Training Range (NTTR), Nellis Air Force Base (NAFB) surveyed 267.71 hectares (ha) (661.50 acres [ac]) for the project, located on the Tonopah Test Range (TTR) at Nellis Air Force Base, Nye County, Nevada. The survey resulted in the update of two previously recorded archaeological sites, the documentation of 15 newly discovered archaeological sites, and 18 isolated occurrences. The results of the survey are presented herein.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Short- to Intermediate-Range Structure, Transport, and Thermophysical Properties of LiF–NaF–ZrF4 Molten Salts

LiF–NaF–ZrF 4 multicomponent molten salts are identified as promising candidates for coolant salts in molten salt reactors and advanced high-temperature reactors. This study focused on low-melting point salt compositions of interest: 38LiF–51NaF–11ZrF 4 , 42LiF–29NaF–29ZrF 4 , and 26LiF–37NaF–37ZrF 4 . Ab-initio molecular dynamics (AIMD) calculations were performed and compared with available experimental data to assess the ability of rigid ion models (RIM) to reproduce short- to intermediate-range structure, transport, and thermophysical properties of the LiF–NaF–ZrF 4 salt mixtures. It is found that as ZrF 4 mol% increases, the average cation–anion coordination number (CN) of monovalent cations (Li + , Na + ) obtained from RIM calculations decreases, while multivalent Zr 4+ CN varied from 15% to 19% in comparison to corresponding AIMD values. In addition, RIM is found to predict the existence of 7, 8, and 9 coordinated fluorozirconate complexes, while AIMD and the available experimental data showed an occurrence of 6, 7, and 8 coordinated complexes in the melt. The intermediate-range structure analysis revealed that while the RIM parameters are able to reproduce a local structure for lower ZrF 4 mol% salts such as in 38LiF–51NaF–11ZrF 4 , an extensive fluorozirconate network formation is observed in RIM simulations for higher ZrF 4 mol% compositions. The network generated by RIM parameters is found to be mainly connected by “corner-sharing” fluorozirconate complexes as opposed to both “edge-sharing” and “corner-sharing” connectively portrayed by AIMD. It is found that a close agreement between AIMD and the RIM salt structure for the 11-mol% ZrF 4 salt resulted in good agreement in the calculated Zr diffusivities and the viscosity values. However, due to the inaccurate short- to intermediate-range structure prediction by RIM for higher ZrF 4 mol% compositions, thermophysical properties such as densities and heat capacity differ by up to 26% and 27%, respectively, upon comparison with AIMD and experimental values. Also, the network-dominated properties such as diffusion coefficients and viscosities differed by up to two and three orders of magnitude, respectively. This study signifies the importance of accurate salt structure generation for an accurate prediction of transport and thermophysical properties of multicomponent molten salts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

As a Matter of Dynamical Range – Scale Dependent Energy Dynamics in MHD Turbulence

Abstract Magnetized turbulence is ubiquitous in many astrophysical and terrestrial plasmas but no universal theory exists. Even the detailed energy dynamics in magnetohydrodynamic (MHD) turbulence are still not well understood. We present a suite of subsonic, super-Alfvénic, high plasma beta MHD turbulence simulations that only vary in their dynamical range, i.e., in their separation between the large-scale forcing and dissipation scales, and their dissipation mechanism (implicit large eddy simulation, ILES, and direct numerical simulation (DNS)). Using an energy transfer analysis framework we calculate the effective numerical viscosities and resistivities, and demonstrate that all ILES calculations of MHD turbulence are resolved and correspond to an equivalent visco-resistive MHD turbulence calculation. Increasing the number of grid points used in an ILES corresponds to lowering the dissipation coefficients, i.e., larger (kinetic and magnetic) Reynolds numbers for a constant forcing scale. Independently, we use this same framework to demonstrate that—contrary to hydrodynamic turbulence—the cross-scale energy fluxes are not constant in MHD turbulence. This applies both to different mediators (such as cascade processes or magnetic tension) for a given dynamical range as well as to a dependence on the dynamical range itself, which determines the physical properties of the flow. We do not observe any indication of convergence even at the highest resolution (largest Reynolds numbers) simulation at 2048 3 cells, calling into question whether an asymptotic regime in MHD turbulence exists, and, if so, what it looks like.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Robustness of Kardar-Parisi-Zhang-like transport in long-range interacting quantum spin chains

Isotropic integrable spin chains such as the Heisenberg model feature superdiffusive spin transport belonging to an as-yet-unidentified dynamical universality class closely related to that of Kardar, Parisi, and Zhang (KPZ). To determine whether these results extend to more generic one-dimensional models, particularly those realizable in quantum simulators, we investigate spin and energy transport in non-integrable, long-range Heisenberg models using state-of-the-art tensor network methods. Despite the lack of integrability and the asymptotic expectation of diffusion, for power-law models (with exponent 2<α<∞) we observe long-lived z=3/2 superdiffusive spin transport and two-point correlators consistent with KPZ scaling functions, up to times t∼103/J. We conjecture that this KPZ-like transport is due to the proximity of such power-law-interacting models to the integrable family of Inozemtsev models, which we show to also exhibit KPZ-like spin transport across all interaction ranges. Finally, we consider anisotropic spin models naturally realized in Rydberg atom arrays and ultracold polar molecules, demonstrating that a wide range of long-lived, non-diffusive transport can be observed in experimental settings.

Anand↗
DOE OSTI2026

Short-range correlations in nuclei

Atomic nuclei are held together by the strong nuclear force acting between protons and neutrons (nucleons). While the long range, averaged part of this force is well described by the nuclear shell model, the short-range and tensor components create a fascinating substructure: pairs of nucleons that momentarily approach each other very closely, acquiring large relative momenta. These short-range correlated (SRC) pairs account for roughly 20% of all nucleons in any nucleus and almost all of the high momentum nucleons. This chapter provides an introduction to SRC pairs: their origin in the nucleon-nucleon tensor force, the experimental methods used to study them, principally deep inelastic and quasielastic electron and proton scattering, and the comprehensive picture that has emerged over the past three decades.

FOS: Physical sciences↗
DOE OSTI2020

Impacts of long-range transport of aerosols on marine-boundary-layer clouds in the eastern North Atlantic

Vertical profiles of aerosols are inadequately observed and poorly represented in climate models, contributing to the current large uncertainty associated with aerosol–cloud interactions. The US Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) aircraft field campaign near the Azores islands provided ample observations of vertical distributions of aerosol and cloud properties. Here we utilize the in situ aircraft measurements from the ACE-ENA and ground-based remote-sensing data along with an aerosol-aware Weather Research and Forecast (WRF) model to characterize the aerosols due to long-range transport over a remote region and to assess their possible influence on marine-boundary-layer (MBL) clouds. The vertical profiles of aerosol and cloud properties measured via aircraft during the ACE-ENA campaign provide detailed information revealing the physical contact between transported aerosols and MBL clouds. The European Centre for Medium-Range Weather Forecasts Copernicus Atmosphere Monitoring Service (ECMWF-CAMS) aerosol reanalysis data can reproduce the key features of aerosol vertical profiles in the remote region. The cloud-resolving WRF sensitivity experiments with distinctive aerosol profiles suggest that the transported aerosols and MBL cloud interactions (ACIs) require not only aerosol plumes to get close to the marine-boundary-layer top but also large cloud top height variations. Based on those criteria, the observations show that the occurrence of ACIs involving the transport of aerosol over the eastern North Atlantic (ENA) is about 62 % in summer. For the case with noticeable long-range-transport aerosol effects on MBL clouds, the susceptibilities of droplet effective radius and liquid water content are -0.11 and +0.14, respectively. When varying by a similar magnitude, aerosols originating from the boundary layer exert larger microphysical influence on MBL clouds than those entrained from the free troposphere.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Dynamic projection of anthropogenic emissions in China: methodology and 2015–2050 emission pathways under a range of socio-economic, climate policy, and pollution control scenarios

Abstract. Future trends in air pollution and greenhouse gas (GHG)emissions for China are of great concern to the community. A set of globalscenarios regarding future socio-economic and climate developments, combiningshared socio-economic pathways (SSPs) with climate forcing outcomes asdescribed by the Representative Concentration Pathways (RCPs), was createdby the Intergovernmental Panel on Climate Change (IPCC). Chinese researchers have also developed various emission scenarios by considering detailed local environmental and climate policies. However, a comprehensive scenario set connecting SSP–RCP scenarios with local policies and representing dynamic emission changes under local policies is still missing. In this work, to fill this gap, we developed a dynamic projection model, the Dynamic Projection model for Emissions in China (DPEC), to explore China'sfuture anthropogenic emission pathways. The DPEC is designed tointegrate the energy system model, emission inventory model, dynamicprojection model, and parameterized scheme of Chinese policies. The modelcontains two main modules, an energy-model-driven activity rate projectionmodule and a sector-based emission projection module. The activity rateprojection module provides the standardized and unified future energyscenarios after reorganizing and refining the outputs from the energy systemmodel. Here we use a new China-focused version of the Global ChangeAssessment Model (GCAM-China) to project future energy demand and supply inChina under different SSP–RCP scenarios at the provincial level. Theemission projection module links a bottom-up emission inventory model, theMulti-resolution Emission Inventory for China (MEIC), to GCAM-China andaccurately tracks the evolution of future combustion and production technologiesand control measures under different environmental policies. We developedtechnology-based turnover models for several key emitting sectors (e.g.coal-fired power plants, key industries, and on-road transportationsectors), which can simulate the dynamic changes in the unit/vehicle fleetturnover process by tracking the lifespan of each unit/vehicle on an annualbasis. With the integrated modelling framework, we connected five SSP scenarios(SSP1–5), five RCP scenarios (RCP8.5, 7.0, 6.0, 4.5, and 2.6), and threepollution control scenarios (business as usual, BAU; enhanced controlpolicy, ECP; and best health effect, BHE) to produce six combined emissionscenarios. With those scenarios, we presented a wide range of China's futureemissions to 2050 under different development and policy pathways. We foundthat, with a combination of strong low-carbon policy and air pollutioncontrol policy (i.e. SSP1-26-BHE scenario), emissions of major airpollutants (i.e. SO 2 , NO x , PM 2.5 , and non-methane volatile organic compounds – NMVOCs) in China willbe reduced by 34%–66% in 2030 and 58%–87% in 2050 compared to 2015. End-of-pipe control measures are more effective for reducing air pollutant emissions before 2030, while low-carbon policy will play a more important rolein continuous emission reduction until 2050. In contrast, China's emissionswill remain at a high level until 2050 under a reference scenario without activeactions (i.e. SSP3-70-BAU). Compared to similar scenarios set from theCMIP6 (Coupled Model Intercomparison Project Phase 6), our estimates ofemission ranges are much lower than the estimates from the harmonized CMIP6 emissions dataset in2020–2030, but their emission ranges become similar in the year 2050.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

An extended radar relative calibration adjustment (eRCA) technique for higher-frequency radars and range–height indicator (RHI) scans

Abstract. This study extends the relative calibration adjustment technique for calibration of weather radars to higher-frequency radars as well as range–height indicator (RHI) scans. The calibration of weather radars represents one of the most dominant sources of error for their use in a variety of fields including quantitative precipitation estimation and model comparisons. While most weather radars are routinely calibrated, the frequency of calibration is often less than required, resulting in miscalibrated time periods. While full absolute calibration techniques often require the radar to be taken offline for a period of time, there have been online calibration techniques discussed in the literature. The relative calibration adjustment (RCA) technique uses the statistics of the ground clutter surrounding the radar as a monitoring source for the stability of calibration but has only been demonstrated to work at S- and C-band for plan-position indicator (PPI) scans at a constant elevation. In this work the RCA technique is modified to work with higher-frequency radars, including Ka-band cloud radars. At higher frequencies the properties of clutter can be much more variable. This work introduces an extended clutter selection procedure that incorporates the temporal stability of clutter and helps to improve the operational stability of RCA for relatively higher-frequency radars. The technique is also extended to utilize range–height scans from radars where the elevation is varied rather than the azimuth. These types of scans are often utilized with research radars to examine the vertical structure of clouds. The newly extended technique (eRCA) is applied to four Department of Energy Atmospheric Radiation Measurement (DOE ARM) weather radars ranging in frequency from C- to Ka-band. Cross comparisons of three co-located radars with frequencies C, X, and Ka at the ARM Cloud, Aerosol, and Complex Terrain Interactions (CACTI) site show that the technique can determine changes in calibration. Using an X-band radar at the ARM Eastern North Atlantic (ENA) site, we show how the technique can be modified to be more resilient to clutter fields that show increased variability, in this case due to sea clutter. The results show that this technique is promising for a posteriori data calibration and monitoring.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Development and demonstration of next generation technology for Nb_3Sn accelerator magnets with lower cost, improved performance uniformity, and higher operating point in the 12-14 T range

The scope of the proposal outlined in this white paper is the development and demonstration of the technology needed for next generation of Nb_3Sn accelerator magnets in the 12-14 T range. The main goal is to cut magnet cold-mass cost by a factor 2 or higher with respect to the Nb_3Sn magnets produced by the US Accelerator Upgrade Project (AUP) for the High-Luminosity Large Hadron Collider (HL-LHC). This goal will be achieved by significant reduction of labor hours, higher operating point, and improved performance uniformity. A key factor will be automation that will be achieved through industry involvement and benefitting from the experience gained in US national laboratories through the production of the AUP magnets. This partnership will enable the development of a technology that will be easily transferable to industry for mid- and large-scale production of Nb_3Sn accelerator magnets in the 12-14 T range. This step is essential to enable next generation of colliders such as the FNAL-proposed Muon Collider, FCC and other HEP hadron colliders. This is a Directed R&D where direction is given by the field range and industry involvement for high-automation and industry-ready technology. The plan includes ten milestones, to be achieved in 6-8 years at the cost of 5-7 $M/year.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Quasi-Extended Range Optical Frequency Domain Reflectometry for Product Pipelines

Throughout the United States, large natural gas and product transmission pipelines exist. These pipelines are susceptible to failure through corrosion and cracking due to internal and external factors. As these transmission pipeline age, the likelihood of a catastrophic failure increases. The ability to the monitor corrosion and wall thickness of these pipelines is paramount to reduce risk of disastrous failure and increase reliability as well as safety. Optical frequency domain reflectometry can monitor distributed temperature and strain measurements along the natural gas and product pipelines. This measurement technique can provide valuable information of pipe structural health through hoop strain changes due to pipe wall thinning, temperature changes due to gas leaks based on Joule-Thomson effect. Since these pipelines are typically buried, the depth of the pipeline results in a potential loss in the sensing range where the fiber is not physically monitoring the hoop strain of the pipeline. A different configuration of the interferometer will allow for the distributed fiber measurement to start atop the pipeline itself. This configuration results in no loss of sensing range and maintains the sensing resolution of a typically interferometer for an optical frequency domain reflectometry measurement. The quasi-extended range distributed hoop strain measurements were demonstrated on an active transmission pipeline.

Brister, Matthew↗
DOE OSTI2024

Mid-Range Science Objectives for the Event Horizon Telescope

The first images of the black holes in Sagittarius A* and M87* have created a wide range of new scientific opportunities in gravitational physics, compact objects, and relativistic astrophysics. We discuss here the scientific opportunities that arise from the rich data sets that have already been obtained and the new data sets that will be obtained, exploiting a wide range of technical advances, including observational agility, receiver upgrades, and the addition of new stations. This document provides a 5-year framework for Event Horizon Telescope (EHT) science structured around four fundamental questions that are used to prioritize the analysis of existing data, guide technical upgrades, and determine the optimal use of future observational opportunities with EHT, ALMA, and multi-wavelength facilities. Through enhancements over this period, the EHT will create the first movie of M87* connecting black hole and jet physics, provide detailed studies of the structure and dynamics of Sgr A*, characterize the magnetospheres of both systems through polarimetric imaging, and explore the spacetime properties of black holes with greater precision and range.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Across the Scales of the Nucleus: Understanding Short Range Correlations from Medium Modification to Probe Independence

The atomic nucleus presents an intricate system due to the non-linear forces described by Quantum Chromodynamics (QCD) that govern its structure. The range of scales involved is remarkable; the most massive nuclei weigh approximately five orders of magnitude more than the quarks that compose them. The nucleus can be analyzed at various levels, from quarks to hadrons to the nucleus as a whole. Short-Range Correlations (SRCs) within the nucleus play a significant role that spans these diverse scales. At the most fundamental level, SRCs influence the interaction between nucleons. The nucleon-nucleon (NN) interaction, arising from QCD, is crucial in determining nuclear properties. SRCs serve as valuable probes for measuring this NN interaction, as the nucleons within SRCs become effectively decoupled from the rest of the nucleus. Multiple experimental techniques, including electron scattering, have been employed to investigate the NN interaction through SRCs. However, our first project demonstrates that inclusive measurements alone are inadequate to constrain this interaction fully. Moving to the scale of the nucleus, SRCs contribute to the high-momentum tail of the nuclear spectral function. While the low-momentum region is characterized by nucleons exhibiting bulk properties, nucleons begin to pair into SRCs at higher momenta. Our research aims to bridge the understanding between the mean-field portion of the nucleus and its high-momentum SRC components. Additionally, SRCs affect the quark structure of protons, as evidenced by the EMC effect, which indicates that quarks behave differently when protons are embedded within a nucleus—an effect referred to as medium modification. This thesis explores the correlation between SRCs and medium modification across various experimental setups. Finally, we seek to establish an interpretation of the nuclear ground state. Accomplishing this requires demonstrating that our SRC observables are independent of the probe’s scale and scheme. The concluding project of this thesis illustrates how we utilize triple coincidence quasi-elastic scattering across a range of (Q2) values to develop a model-dependent framework for understanding SRC distributions within the nucleus’s ground-state wavefunction.

Denniston, A. W. Denniston [University of Tel Aviv↗
DOE OSTI2020

Long-range transported North American wildfire aerosols observed in marine boundary layer of eastern North Atlantic

Wildfire is a major source of biomass burning aerosols, which greatly impact Earth climate. Tree species in North America (NA) boreal forests can support high-intensity crown fires, resulting in elevated injection height and longer lifetime (on the order of months) of the wildfire aerosols. Given the long lifetime, the properties of aged NA wildfire aerosols are required to understand and quantify their effects on radiation and climate. Here we present comprehensive characterization of climatically relevant properties, including optical properties and cloud condensation nuclei (CCN) activities of aged NA wildfire aerosols, emitted from the record-breaking Canadian wildfires in August 2017. Despite the extreme injection height of ~12 km, some of the wildfire plumes descended into the marine boundary layer in the eastern North Atlantic over a period of ~2 weeks, owing to the dry intrusions behind mid-latitude cyclones. The aged wildfire aerosols have high single scattering albedos at 529 nm (ω 529 ; 0.92–0.95) while low absorption Ångström exponents (Å abs ) at 464 nm/648 nm (0.7–0.9). In comparison, Å abs of fresh/slightly aged ones are typically 1.4–3.5. This low Å abs 529 and low Å abs ~110 nm diameter) with thick non-absorbing coatings. The accelerated descent of the wildfire plume also led to strong increase of CCN concentration at the supersaturation levels representative of marine low clouds. The hygroscopicity parameter, κ CCN , of the aged wildfire aerosols varies from 0.2 to 0.4, substantially lower than that of background marine boundary layer aerosols. However, the high fraction of particles with large diameter (i.e., within accumulation size ranges, ~100–250 nm) compensates for the low values of κ, and as a result, the aged NA wildfire aerosols contribute more efficiently to CCN population. These results provide direct evidence that the long-range transported NA wildfires can strongly influence CCN concentration in remote marine boundary layer, therefore the radiative properties of marine low clouds. Given the expected increases of NA wildfire intensity and frequency and regular occurrence of dry intrusion following mid-latitude cyclones, the influence of NA wildfire aerosols on CCN and clouds in remote marine environment need to be further examined.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Grain Boundary Segregation Suppresses Local Short‐Range Ordering in Nanocrystalline High‐Entropy Alloys

Multi-principal-element alloys like high-entropy alloys (HEAs) have potential applications in many engineering fields due to their unique mechanical/functional properties. While HEAs are generally considered random solid solutions, recent studies revealed that they are prone to short-range-ordering (SRO) due to the complex multi-pair-wise interactions among the constituent elements. Meanwhile, SROs' evolution can sometimes be deleterious, and it is necessary to have control over their evolution. Examining the AlCoCrFe-Zr model alloy, long-range ordering occurs following the expectation of enthalpic predictions. Advanced characterization techniques—transmission electron microscopy, high-energy synchrotron X-ray diffraction/pair distribution function, and atom probe tomography, reveal that SRO is suppressed in as-milled and GB-decorated NC-(AlCoCrFe)100-xZrx (x = 0–1.5 atomic %). Warren-Cowley coefficient calculations are further used to validate the suppression of SRO. Besides the low segregation enthalpies of Cr, Fe, and Zr, and the high-mixing enthalpy of Cr and Fe, the short diffusion path to GBs due to high-GB density in the NC-HEAs and the higher energy state of the GBs than the matrix promotes GB-segregation that further alters the matrix chemistry and consequently disfavors SRO formation within the matrix. Despite the GB-segregation of Cr, Fe, and Zr, the matrices and GBs remain in a random solid solution.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Barrier-free predictions of short-range ordering/clustering kinetics in binary FCC solid solutions

We present comparisons of kinetic Monte Carlo (kMC) simulations of isothermal short-range ordering (SRO) and clustering (SRC) kinetics in binary FCC alloys with a mean-field concentration wave (CW) model. We find that the CW model is able to give order-of-magnitude agreement with kMC simulations for ordering/clustering relaxation times over a wide range of temperatures and compositions. The advantage of the CW model is that it does not require parameterization of vacancy hopping energy barriers, which, for a concentrated alloy, becomes prohibitive. We assess limits in the accuracy of the model and discuss the effect of cooling rates as well as the extension to multi-component systems. Ultimately, the simplicity and performance of the CW model compared to kMC simulations suggests that it is a useful tool to connect with models of properties dependent on SRO/SRC as well as for designing thermal treatments to control formation of SRO/SRC.

36 MATERIALS SCIENCE↗