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DOE OSTI2025

Uncovering the re-distribution mechanism of Ni in a de-alloyed Ni-Cr alloy in molten fluorinated salts

A mechanism of Ni redeposition during dealloying corrosion of Ni-Cr is investigated. A model Ni20Cr (wt%) metal alloy was exposed to molten LiF-NaF-KF eutectic (FLiNaK) at 600 °C and at an applied potential of +2.1 VK+/K, above the critical potential for onset of dealloying. Upon extended exposure times (up to 12 h), prominent salt-filled corrosion channels emerge along grain boundaries. A unique grain boundary corrosion mechanism, with respect to the exposed faces of the grains, a central focus of this investigation, is intrinsically connected to the formation of high purity Ni-rich de-alloyed regions within the salt-filled channel. We implement microscale techniques such as energy dispersive spectroscopy (EDS) and electron backscatter diffraction (EBSD) to uncover morphological and compositional variations in relevance to the formation of bicontinuous porosity from corrosion dealloying. To rationalize our findings, a phase-field model is developed and discovers a mechanism in which dissolved Ni from one grain can be redeposited on an adjacent grain at a given difference in interfacial energies. The interaction of chemical and structural factors at the grain boundaries plays a central role in elucidating the dynamics of this phenomenon and its implications towards corrosion.

Mills, Sean H↗

DOE OSTI2026

Kinetic interplay between chemical short-range order and grain boundaries in NiCoCr alloys under irradiation

Chemical short-range order (CSRO) and grain boundary (GB) engineering are routes to enhance radiation damage tolerance in alloys. Here, we reveal that CSRO and GB interact in a sink-strength-dependent manner under irradiation in NiCoCr. Near a weak sink (Σ3 GB), CSRO reduces defect cluster growth by slowing interstitial diffusion and enhancing vacancy-interstitial recombinations. In contrast, near strong sinks such as Σ5 GBs, CSRO and GB act competitively for interstitial accumulation but synergistically to suppress large stacking-fault tetrahedra growth via enhanced recombination. Such mechanistic duality underscores the need for coordinated control of CSRO stability and GB sink strength to enhance radiation damage tolerance.

36 MATERIALS SCIENCE↗

DOE OSTI2024

New Constraints on the Melting Temperature and Phase Stability of Shocked Iron up to 270 GPa Probed by Ultrafast X-Ray Absorption Spectroscopy

Studying the properties and phase diagram of iron at high-pressure and high-temperature conditions has relevant implications for Earth’s inner structure and dynamics and the temperature of the inner core boundary (ICB) at 330 GPa. Also, a hexagonal-closed packed to body-centered cubic (bcc) phase transition has been predicted by many theoretical works but observed only in a few experiments. The recent coupling of high-power laser with advanced x-ray sources from synchrotrons allows for novel approaches to address these issues. Here, we present a study on shock compressed iron up to 270 GPa and 5800 K probed by single-pulse (100 ps FWHM) x-ray absorption spectroscopy (XAS). Based on the analysis of the XAS spectra, we provide structural identification and bulk temperature measurements along the Hugoniot up to the melting. These results rule out the predicted transition to a high-temperature bcc phase and allow one to discriminate among existing equations of state models and melting curves. In particular, we report the first bulk temperature measurement in shock compressed iron on the melting plateau at 240(20) GPa and 5345(600) K. The melting curve resulting from our work extrapolates to a temperature of 6202(514) K at 330 GPa and represents a refined upper bound for the ICB temperature. Published by the American Physical Society 2024

Balugani, S.↗

DOE OSTI2024

Learning from metastable symmetric-tilt grain boundaries using physics-based descriptors

Grain boundaries (GBs) govern critical properties of polycrystalline materials. Although significant advancements have been made in characterizing minimum energy and ordered GBs, real GBs are seldom found in such well-defined states. This diversity of atomic arrangements in metastable states makes it challenging to establish structure-property relationships with physical insights. Here, to address this challenge, we use data-driven methods to explore these relationships and examine the underlying physics. In this study, we utilize a large atomistic database (~5000) of minimum energy and metastable states of symmetric-tilt copper GBs, combined with physically motivated local atomic environment (LAE) descriptors [strain functional descriptors (SFDs)], to predict GB properties and gain physical insights. Our regression models exhibit robust predictive capabilities using only 19 descriptors, generalizing to atomic environments in nanocrystals. A significant highlight of our work is the integration of an unsupervised method with SFDs to elucidate LAEs at GBs and their role in determining properties. The model, trained on these minimum energy and metastable GBs using SFDs, predicts the properties of unseen nanocrystals with good accuracy. Our research underscores the role of a physics-based representation of LAEs and the efficacy of data-driven methods in establishing GB structure-property relationships.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Rupture Jumping and Seismic Complexity in Models of Earthquake Cycles for Fault Stepovers with Off-Fault Plasticity

ABSTRACT Fault stepovers are prime examples of geometric complexity in natural fault zones that may affect seismic hazard by determining whether an earthquake rupture continues propagating or abruptly stops. However, the long-term pattern of seismicity near-fault stepovers and underlying mechanisms of rupture jumping in the context of earthquake cycles are rarely studied. Leveraging a hybrid numerical scheme combining the finite element and the spectral boundary integral methods, FEBE, we carry out fully dynamic simulations of sequences of earthquakes and aseismic slip for both compressive and tensile stepovers with off-fault plasticity. We consider a rate-and-state friction law for the fault friction and pressure-sensitive Drucker–Prager plasticity for the off-fault bulk response. We observe that the accumulation of plastic deformation, an indication of off-fault damage, is significantly different in the two cases, with more plastic deformation projected in the overlapping region for the tensile stepover. The seismic pattern for a tensile stepover is more complex than for a compressive stepover, and incorporating plasticity also increases complexity, relative to the elastic case. A tensile stepover with off-fault plasticity shows rupture segmentation, temporal clustering, and frequent rupture jumping from one fault to another. These results shed light on possible mechanisms of rupture jumping in fault stepovers as well as the long-term evolution of the fault zone.

Geochemistry & Geophysics↗

DOE OSTI2020

Sound Speed as a Candidate for Internal Temperature Monitoring During Solid Phase Processing of Materials

Internal temperature is an important parameter for understanding the solid phase processing (SPP) of materials and improving feedback control of these processes. Friction stir processes, shear assisted processing and extrusion (ShAPE ™ ), and ultrahigh velocity (UHV) cold spray are examples of such processes. Simple thermal models based on temperatures measured at the boundary of the deforming body cannot capture the dynamic nature of temperature generation within the deforming solid. One possibly way of understanding internal temperature is by measuring sound speed, which varies as a function of temperature for materials and directing ultrasonic wave propagation through selected material volumes of interest. In this project, longitudinal wave speed is estimated for aluminum 6061. Piezoelectric materials bonded to a specimen provided data from which longitudinal wave speed was estimated. A discussion evaluated the linear relationship of wave speed versus temperature and postulated how wave speed measurements could be used to estimate the internal temperature of selected material volumes for feedback during SPP of materials. Instrumentation, data and analysis, and a discussion are reviewed.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Multiscale ACI Satellite Database

The SATELLITE_EAGLES_PNNL NetCDF dataset contains a suite of satellite- and reanalysis-derived atmospheric and surface parameters on a regular latitude–longitude grid. The dataset includes core geophysical fields such as land fraction, aerosol optical depth at multiple wavelengths (465, 550, 667, and 865 nm), sea surface temperature, estimated inversion strength, and various thermodynamic and dynamic quantities (e.g., relative humidity, vertical velocity, boundary-layer height, and surface fluxes) from both MERRA and ERA reanalysis products, provided as daily-mean and instantaneous values. A major component of the dataset consists of MODIS-retrieved cloud microphysical properties, including cloud droplet number concentration, cloud effective radius, optical thickness, and liquid water path, provided for three compositing regimes (“All,” “Q06,” and “G18”). Corresponding cloud-top parameters—temperature, height, and pressure—along with total and domain-mean cloud fraction fields are also included. The file further integrates additional satellite data from AMSR-E (for cloud water, rain water, and surface precipitation retrievals) and CERES (for top-of-atmosphere radiative fluxes, cloud fractions, and albedo). This dataset is designed to evaluate aerosol–cloud interactions in warm clouds, emphasizing the use of MODIS for deriving cloud droplet number concentration and liquid water path statistics. The complementary satellite and reanalysis fields are co-located and time-matched to the same instantaneous MODIS observations, enabling consistent comparisons between cloud properties, aerosol loading, and large-scale meteorological conditions. The dataset is recently featured in Christensen et al. (2025), Machine Learning Reveals Strong Grid-Scale Dependence in the Satellite Nd–LWP Relationship, EGUsphere [preprint], https://doi.org/10.5194/egusphere-2025-3850, 2025.

Christensen, Matthew [Pacific Northwest National L↗

DOE OSTI2025

Multiscale ACI Satellite Database

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Ocean Surface Flux Algorithm Effects on Earth System Model Energy and Water Cycles

Earth system models parameterize ocean surface fluxes of heat, moisture, and momentum with empirical bulk flux algorithms, which introduce biases and uncertainties into simulations. We investigate the atmosphere and ocean model sensitivity to algorithm choice in the Energy Exascale Earth System Model (E3SM). Flux differences between algorithms are larger in atmosphere simulations (where wind speeds can vary) than ocean simulations (where wind speeds are fixed by forcing data). Surface flux changes lead to global scale changes in the energy and water cycles, notably including ocean heat uptake and global mean precipitation rates. Compared to the control algorithm, both COARE and University of Arizona (UA) algorithms reduce global mean precipitation and top of atmosphere radiative biases. Further, UA may slightly reduce biases in ocean meridional heat transport. We speculate that changes seen here, especially in the ocean, could be even larger in coupled simulations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Modeling Wind in Agrivoltaics and its Impact on Eddy Covariance Flux Measurements

Silicon Ranch is conducting a research study at their 138MW Bancroft Station agrivoltaics site, the largest agrivoltaics research array in the US, in which they are using an eddy covariance flux tower to measure the carbon budget. They are interested in finding out if the presence of the panels changes the effectiveness of these measurements. To investigate this topic, NLR performed numerical simulations of wind through the agrivoltaic array to identify under what environmental conditions (wind speed, wind direction, temperatures) and panel tilt angles the mean wind speeds at the measurement heights are significantly altered by the presence of the solar panels. NLR adapted and used the PVade simulation tool [1] to model wind in Silicon Ranch's agrivoltaic array and found that at the height of the flux tower (6m), the wind speed measured is not significantly altered by the presence of solar panels. The percent difference is less than 4% and is generally greatest during daytime conditions at higher wind speeds and perpendicular wind direction. Closer to the ground, the flow is significantly altered (wind speeds are reduced) by the presence of solar panels and the percent difference increases in strong winds. The work confirmed that eddy covariance flux towers can be used within the context of a solar array field.

14 SOLAR ENERGY↗

NASA NTRS1978

Characterization of a swept-strut hydrogen fuel-injector for scramjet applications

Results of an experimental investigation of a swept-strut hydrogen fuel-injector simulating the center strut of a three strut scramjet module at Mach 6 flight conditions are presented. Detailed wall pressure distributions from over 100 separate tests with overall fuel flow from 0.1 to 1.3 times stoichiometric and test gas stagnation temperature from 1100 to 2400 K were recorded. The distance for pressure rise from the point of injection was found to increase with increasing test stagnation temperature. This trend indicates that chemical kinetics in the immediate region of perpendicular injection are not likely to be the mechanism controlling the onset of pressure rise. A fluid dynamic mechanism is suggested involving separation of the boundary layer downstream of injection which is forced upstream from the trailing edge by pressure rise due to combustion occurring in the base region of the strut. The results obtained indicate that the swept-strut fuel-injector concept can be adapted to a wide range of flight conditions by varying the amount of perpendicular fuel injection.

Northam, G. B.↗

NASA NTRS1982

Flow visualization of shock-boundary layer interaction

Two and three-dimensional shock-boundary layer interaction data were obtained from supersonic wind tunnel tests. These interactions are studied both with and without boundary layer bleed. The data verify computational fluid dynamic codes. Surface static pressure, pitot pressure, flow angularity, and bleed rates, are studied by flow visualization techniques. Surface oil flow using fluorescent dye and laser sheet using water droplets as the scattering material are used for flow visualization.

Hingst, W. R.↗

NASA NTRS1987

Optimal torque control for SCOLE slewing maneuvers

The Spacecraft Control Laboratory Experiment (SCOLE) was slewed from one attitude to the required attitude and an integral performance index which involves the control torques was minimized. Kinematic and dynamical equations, optimal control, two-point boundary-value problems, and estimation of unknown boundary conditions are presented.

Bainum, P. M.↗

NASA NTRS1986

Toward the application of the Kalman filter to regional open ocean modeling

A partial differential equation model is defined for ocean meteorological prediction and synoptic analysis. The Kalman filter used for data assimilation is described and applied to the one-dimensional linear barotropic quasi-geostrophic model with periodic and open boundary conditions. The model accounts for eddy scale dynamics in the ocean. The assumptions made in the forecast model are discussed, along with comparisons of the error variances expected with the filter and from an objective analysis method. The effectiveness of the Kalman filter is demonstrated and subsequent efforts to extend the filter to two dimensions are indicated.

Miller, R. N.↗

NASA NTRS1991

A cloud, precipitation and electrification modeling effort for COHMEX

In mid-1987, the Modeling Group of the Institute of Atmospheric Sciences (IAS) began to simulate and analyze cloud runs that were made during the Cooperative Huntsville Meteorological Experiment (COHMEX) Project and later. The cloud model was run nearly every day during the summer 1986 COHMEX Project. The Modeling Group was then funded to analyze the results, make further modeling tests, and help explain the precipitation processes in the Southeastern United States. The main science objectives of COHMEX were: (1) to observe the prestorm environment and understand the physical mechanisms leading to the formation of small convective systems and processes controlling the production of precipitation; (2) to describe the structure of small convective systems producing precipitation including the large and small scale events in the environment surrounding the developing and mature convective system; (3) to understand the interrelationships between electrical activity within the convective system and the process of precipitation; and (4) to develop and test numerical models describing the boundary layer, tropospheric, and cloud scale thermodynamics and dynamics associated with small convective systems. The latter three of these objectives were addressed by the modeling activities of the IAS. A series of cloud modes were used to simulate the clouds that formed during the operational project. The primary models used to date on the project were a two dimensional bulk water model, a two dimensional electrical model, and to a lesser extent, a two dimensional detailed microphysical cloud model. All of the models are based on fully interacting microphysics, dynamics, thermodynamics, and electrical equations. Only the 20 July 1986 case was analyzed in detail, although all of the cases run during the summer were analyzed as to how well they did in predicting the characteristics of the convection for that day.

Orville, Harold D.↗

NASA NTRS1992

Tensile behavior of the L(1)2 compound Al67Ti25Cr8

Temperature-related variations in tensile yield strength and ductility were studied on cast, homogenized and isothermally forged Al67Ti25Cr8. Yield strength dropped discontinuously between 623 K and 773 K and then decreased gradually with increasing temperature. Below 623 K, fracture occurred prior to macroscopic yielding. Ductility decreased from 0.2 percent at 623 K to zero at 773 K, but increased again at higher temperatures. At 1073 K, an elongation of 19 percent was obtainable, and ultimate tensile strength and localized necking were observed. Fracture surfaces and deformed microstructures were examined. The 1073 K tensile specimen that exhibited 19 percent elongation showed grain boundary serrations and some evidence of recrystallization (likely dynamic) although fracture occurred predominantly via an intergranular mode.

Kumar, K. S.↗

NASA NTRS1992

An investigation into critical aspects of a new form of low energy lunar transfer, the Belbruno-Miller trajectories

This paper documents an integrated Belbruno-Miller (B-M) trajectory and its corresponding injection period. The B-M trajectories use Weak Stability Boundaries (WSB) resulting from four-body perturbative dynamics between the earth, moon, sun, and spacecraft to significantly reduce maneuver requirements for lunar transfer. It is determined that the presented nominal trajectory has a viable 4-day injection period considering maneuver constraints. The nominal B-M trajectory produces saving varying from 150 m/s to 222 m/s over traditional Hohmann means thus pointing to the practical utility of the WSB method. Energy savings are extracted at the price of extended flight time of approximately 6-months. Usefulness of this procedure was recently dramatized by the Japanese spacecraft Hiten when it arrived a the moon on October 2, 1991 following its entry into B-M trajectory on April 25, 1991.

Krish, V.↗

NASA NTRS1992

Modeling and control study of the NASA 0.3-meter transonic cryogenic tunnel for use with sulfur hexafluoride medium

The NASA Langley 0.3-m Transonic Cryogenic Tunnel is to be modified to operate with sulfur hexafluoride gas while retaining its present capability to operate with nitrogen. The modified tunnel will provide high Reynolds number flow on aerodynamic models with two different test gases. The document details a study of the SF6 tunnel performance boundaries, thermodynamic modeling of the tunnel process, nonlinear dynamical simulation of math model to yield tunnel responses, the closed loop control requirements, control laws, and mechanization of the control laws on the microprocessor based controller.

Balakrishna, S.↗