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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Numerical calculation of the particle–fluid–particle stress in random arrays of fixed particles

Based on the nearest particle statistics [Zhang, J. Fluid Mech. 910, A16 (2021)], the phase interaction force in a multiphase flow is decomposed into a particle–mean-field force and the divergence of the particle–fluid–particle (PFP) stress. The PFP stress is proportional to the correlation product of the distance from a particle to its nearest neighbor and the force on the particle conditionally averaged on the nearest-neighbor location. In this work, a functional form of the stress is obtained corrected to the first order of the ratio between the interparticle distance and the macroscopic length scale of the flow. Particle-resolved numerical simulations are used to calculate the PFP stress in random arrays of fixed particles and to explore the physics represented by the stress. The numerical results show that the PFP stress is attractive along the direction of the flow and is repulsive in the directions perpendicular to the flow. In the flow regime simulated, this PFP stress can be considered as a macroscopic representation of the drafting–kissing–tumbling mechanism. Finally, the Reynolds stress for the fluid phase is also calculated and compared with the PFP stress.

42 ENGINEERING↗
DOE OSTI2023

Point-particle drag, lift, and torque closure models using machine learning: Hierarchical approach and interpretability

Developing deterministic neighborhood-informed point-particle closure models using machine learning has garnered interest recently from the dispersed multiphase flow community. The robustness of neural models for this complex multibody problem is hindered by the availability of particle-resolved data. Here, the present work addresses this unavoidable limitation of data paucity by implementing two strategies: (1) by using a rotation and reflection equivariant neural network and (2) by pursuing a physics-based hierarchical machine learning approach. The resulting machine-learned models are observed to achieve a maximum accuracy of 85% and 96% in the prediction of neighbor-induced force and torque fluctuations, respectively, for a wide range of Reynolds number and volume fraction conditions considered. Furthermore, we pursue force and torque network architectures that provide universal prediction spanning a wide range of Reynolds number (0.25 ≤ Re ≤250) and particle volume fraction (0 ≤ φ ≤0.4). The hierarchical nature of the approach enables improved prediction of quantities such as streamwise torque, by going beyond binary interactions to include trinary interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Ultimate Strength of Metals

We present a theoretical model that predicts the peak strength of polycrystalline metals based on the activation energy (or stress) required to cause deformation via amorphization. Building on extensive earlier work, this model is based purely on materials properties, requires no adjustable parameters, and is shown to accurately predict the strength of four exemplar metals (fcc, bcc, and hcp, and an alloy). This framework reveals new routes for design of more complex high-strength materials systems, such as compositionally complex alloys, multiphase systems, nonmetals, and composite structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Flow-Driven Branching in a Frangible Porous Medium

Channel formation and branching is widely seen in physical systems where movement of fluid through a porous structure causes the spatiotemporal evolution of the medium. We provide a simple theoretical framework that embodies this feedback mechanism in a multiphase model for flow through a frangible porous medium with a dynamic permeability. Numerical simulations of the model show the emergence of branched networks whose topology is determined by the geometry of external flow forcing. Furthermore, this allows us to delineate the conditions under which splitting and/or coalescing branched network formation is favored, with potential implications for both understanding and controlling branching in soft frangible media.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Experimentally Driven Automated Machine-Learned Interatomic Potential for a Refractory Oxide

Understanding the structure and properties of refractory oxides is critical for high temperature applications. In this work, a combined experimental and simulation approach uses an automated closed loop via an active learner, which is initialized by x-ray and neutron diffraction measurements, and sequentially improves a machine-learning model until the experimentally predetermined phase space is covered. Furthermore, a multiphase potential is generated for a canonical example of the archetypal refractory oxide, HfO 2 , by drawing a minimum number of training configurations from room temperature to the liquid state at similar to 2900 degrees C. The method significantly reduces model development time and human effort.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Global Polarization of Ξ and Ω Hyperons in Au + Au Collisions at s N N = 200 GeV

Global polarization of Ξ and Ω hyperons has been measured for the first time in Au+Au collisions at $\sqrt{s_{NN}}$=200 GeV. The measurements of the $Ξ^{-}$ and $\overline{Ξ}^{+}$ hyperon polarization have been performed by two independent methods, via analysis of the angular distribution of the daughter particles in the parity violating weak decay Ξ→Λ+π, as well as by measuring the polarization of the daughter Λ hyperon, polarized via polarization transfer from its parent. The polarization, obtained by combining the results from the two methods and averaged over $Ξ^{-}$ and $\overline{Ξ}^{+}$, is measured to be $\langle{P_{Ξ}}\rangle$=0.47±0.10(stat)±0.23(syst)% for the collision centrality 20%-80%. The $\langle{P_{Ξ}}\rangle$ is found to be slightly larger than the inclusive Λ polarization and in reasonable agreement with a multiphase transport model. The $\langle{P_{Ξ}}\rangle$ is found to follow the centrality dependence of the vorticity predicted in the model, increasing toward more peripheral collisions. Finally, the global polarization of Ω, $\langle{P_{Ω}}\rangle$=1.11±0.87(stat)±1.97(syst)% was obtained by measuring the polarization of daughter Λ in the decay Ω→Λ+K, assuming the polarization transfer factor $C_{ΩΛ}=1$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Spectroscopic Evidence of Kondo-Induced Quasiquartet in CeRh 2 As 2

CeRh 2 As 2 is a new multiphase superconductor with strong suggestions for an additional itinerant multipolar ordered phase. The modeling of the low-temperature properties of this heavy-fermion compound requires a quartet Ce 3 + crystal-field ground state. Here, we provide the evidence for the formation of such a quartet state using x-ray spectroscopy. Core-level photoelectron and x-ray absorption spectroscopy confirm the presence of Kondo hybridization in CeRh 2 As 2 . The temperature dependence of the linear dichroism unambiguously reveals the impact of Kondo physics for coupling the Kramer’s doublets into an effective quasiquartet. Nonresonant inelastic x-ray scattering data find that the | Γ 7 − ⟩ state with its lobes along the 110 direction of the tetragonal structure ( x y orientation) contributes most to the multiorbital ground state of CeRh 2 As 2 . Published by the American Physical Society 2024

Christovam, Denise S. (ORCID:0000000250698107)↗
DOE OSTI2024

Anomalous proximitized transport in metal/quantum magnet heterostructure Bi 2 Ir 2 O 7 /Yb 2 Ti 2 O 7

Fluctuations of quantum spins play a crucial role in the emergence of exotic magnetic phases and excitations. The lack of the charge degree of freedom in insulating quantum magnets, however, precludes such fluctuations from mediating electronic transport. Here, we show that the quantum fluctuations of a localized frustrated magnet induce strong proximitized charge transport of the conduction electrons in a synthetic heterostructure comprising an epitaxial Bi 2 Ir 2 O 7 ultrathin film on a single crystal of Yb 2 Ti 2 O 7 . The proximity effects are evidenced by the scaling behavior of the Bi 2 Ir 2 O 7 resistance in correspondence with the dynamic scaling of the dynamic spincorrelation function of Yb 2 Ti 2 O 7 , which is a result of quantum fluctuations near a multiphase quantum critical point. The proximitized transport in Bi 2 Ir 2 O 7 can be effectively tuned by a magnetic field through suppressing the quantum spin fluctuations (QSFs) as well as inducing transitions via magnetic anisotropy in Yb 2 Ti 2 O 7 . In this study, we establish a pathway for harnessing QSFs in magnetic insulators with electric transport, offering exciting prospects for potential applications in the realm of quantum spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Vanishing dynamic strength measured in a transient high-pressure phase of tin

This work reports two independent experimental estimations of the dynamic strength of the body-centered tetragonal (bct) 𝛾 phase of tin, which occurs at pressures above about 9 GPa and transforms promptly back to the ambient 𝛽 phase upon pressure release. Measuring strength in such a transient high-pressure phase is challenging. One measurement used free-surface Richtmyer-Meshkov instabilities generated with gas gun impact. Another set of measurements used ramp-release loading in a pulsed-power facility. Strength estimations came from comparison to simulations using a comprehensive multiphase modeling framework that includes equation of state, shear moduli, and strength separately for each phase, and treats mixed-phase regions. Both experimental methods found the 𝛾-phase strength to be very low, within experimental uncertainty of zero. The existing literature on other materials, by contrast, almost universally reports higher strength in transient high-pressure phases compared with ambient phases. Recent Molecular-Dynamics simulations on tin in the literature showed almost zero deviatoric strength during a deformation-induced bct → bct transformation in which one of the 𝛾-phase 𝑎 axes “flips” to the 𝑐 axis. This reorientation currently provides the most plausible explanation for the low observed strength in 𝛾-phase tin.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Automated pipeline processing X-ray diffraction data from dynamic compression experiments on the Extreme Conditions Beamline of PETRA III

Presented and discussed here is the implementation of a software solution that provides prompt X-ray diffraction data analysis during fast dynamic compression experiments conducted within the dynamic diamond anvil cell technique. It includes efficient data collection, streaming of data and metadata to a high-performance cluster (HPC), fast azimuthal data integration on the cluster, and tools for controlling the data processing steps and visualizing the data using the DIOPTAS software package. This data processing pipeline is invaluable for a great number of studies. The potential of the pipeline is illustrated with two examples of data collected on ammonia–water mixtures and multiphase mineral assemblies under high pressure. The pipeline is designed to be generic in nature and could be readily adapted to provide rapid feedback for many other X-ray diffraction techniques, e.g. large-volume press studies, in situ stress/strain studies, phase transformation studies, chemical reactions studied with high-resolution diffraction etc.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Remote Monitoring and Diagnostics of Pitch-Bearing Defects in an MW-Scale Wind Turbine Using Pitch Symmetrical-Component Analysis

Recently, multiple wind turbine failure databases have reviewed that the pitch system is one of the subassemblies with the highest failure rates and largest contributors to the overall downtime. Therefore, there has been an increasing interest to provide remote health monitoring for wind turbine pitch system. While most of the research articles are discussing pitch actuation system (hydraulic or electric actuator) faults only, there is very limited research on pitch-bearing-defect detection. This article provides a remote and hardware-free solution to monitor multiaxis pitch-bearing health condition called pitch symmetrical-component analysis. It leverages readily available low-resolution (100 Hz) electrical measurements, mechanical measurements, and control signals from the existing pitch control platform, and innovatively applies symmetrical-component analysis in multiphase ac system to multiaxis pitch control system and introduces multiaxis pitch-bearing degradation trending curves. This hardware-free solution can be directly applied to the existing wind turbines and successfully give the wind farm operator an early warning before multiaxis pitch bearing fails. It has been proved to be accurate, low cost, and has minimum impacts on turbine normal operation, and has been validated by field data from several North America MW-scale wind farms. This approach turns out to be the first hardware-free (no additional hardware needed) method to remotely monitor and diagnose multiaxis wind turbine pitch-bearing condition.

17 WIND ENERGY↗
DOE OSTI2020

Thermal Overloading Risk Mitigation With a Semi-Analytical Probabilistic Model on Branch Current

A semi-analytical formulation is presented in this paper for the probability computation of branch current in multiphase systems. The developed formula is derived based on the linear power flow model in rectangular coordinates. The system uncertainty injections can be renewable energy resources or loads and are modeled using a Gaussian mixture model (GMM). The developed formula can be used to compute the line current violation probability as well as integrate into optimal power flow problem as chance-constraint relaxation. Here, the proposed formula is first compared with the Matlab embedded numerical integration function to show its performance. Besides, the semi-analytical formula is validated and compared with the Monte Carlo simulation method using the IEEE 123-bus system, EPRI Ckt5, and Ckt7 systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Learning Distribution Grid Topologies: A Tutorial

Unveiling feeder topologies from data is of paramount importance to advance situational awareness and proper utilization of smart resources in power distribution grids. This tutorial summarizes, contrasts, and establishes useful links between recent works on topology identification and detection schemes that have been proposed for power distribution grids. The primary focus is to highlight methods that overcome the limited availability of measurement devices in distribution grids, while enhancing topology estimates using conservation laws of power-flow physics and structural properties of feeders. Grid data from phasor measurement units or smart meters can be collected either passively in the traditional way, or actively, upon actuating grid resources and measuring the feeder's voltage response. Analytical claims on feeder identifiability and detectability are reviewed under disparate meter placement scenarios. Such topology learning claims can be attained exactly or approximately so via algorithmic solutions with various levels of computational complexity, ranging from least-squares fits to convex optimization problems, and from polynomial-time searches over graphs to mixed-integer programs. Although the emphasis is on radial single-phase feeders, extensions to meshed and/or multiphase circuits are sometimes possible and discussed. Here this tutorial aspires to provide researchers and engineers with knowledge of the current state-of-the-art in tractable distribution grid learning and insights into future directions of work.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Special Issue: To Commemorate the Legacy of Malcolm J. Andrews—Scientist, Educator, and Leader

This special issue celebrates the scientific legacy of Dr. Malcolm J. Andrews, former Editor of the ASME Journal of Fluids Engineering (2010–2018). Malcolm devoted his career to the development and applications of computational, experimental, and analytical tools to investigate and solve diverse, complex fluid dynamics, and heat transfer problems. Malcolm’s most notable research accomplishments include: (i) contributions to innovative experiments, simulations, and theory to understand buoyancydriven turbulent mixing due to Rayleigh–Taylor instability; (ii) development of the multiphase particle-in-cell method for understanding fragmentation in spray jets, coal-water slurry, and other dense particulate flows; (iii) mixing in nano- and biomaterials in applications ranging from protein glues to carbon nanotube composites; (iv) determining dispersion in proteins to improve therapeutic drug delivery via micro-encapsulation; (v) innovative methods for storing information using nanopinned dipole magnetic vortices in superconducting materials; and (vi) modeling and design modifications for shell-and-tube heat exchangers, as well as heat transfer in rotating systems such as turbine blades. The results of his research have been published in a long series of trend-setting journal and conference papers, book chapters, and patents.

42 ENGINEERING↗
DOE OSTI2021

Thermomechanical Microstructural Predictions of Fracture Nucleation of Zircaloy-4 Alloys With δ and ε Hydride Distributions

Abstract A crystalline dislocation-density formulation that was incorporated with a nonlinear finite-element (FE) method was utilized to understand and to predict the thermomechanical behavior of an hexagonal closest packed (h.c.p.) zircaloy system with hydrides with either face-centered cubic (f.c.c.) or body-centered cubic (b.c.c.) hydrides. This formulation was then used with a recently developed fracture methodology that is adapted for finite inelastic strains and multiphase crystalline systems to understand how different microstructurally based fracture modes nucleate and propagate. The interrelated microstructural characteristics of the different crystalline hydride and matrix phases with the necessary orientation relationships (ORs) have been represented, such that a detailed physical understanding of fracture nucleation and propagation can be predicted for the simultaneous thermomechanical failure modes of hydride populations and the matrix. The effects of volume fraction, morphology, crystalline structure, and orientation and distribution of the hydrides on simultaneous and multiple fracture modes were investigated for radial, circumferential, and mixed distributions. Another key aspect was accounting for temperatures changes due to the effects of thermal conduction and dissipated plastic work and their collective effects on fracture. For hydrided aggregates subjected to high temperatures, thermal softening resulted in higher ductility due to increased dislocation-density activity, which led to higher shear strain accumulation and inhibited crack nucleation and growth. The predictions provide validated insights into why circumferential hydrides are more fracture-resistant than radial hydrides for different volume fractions and thermomechanical loading conditions.

Engineering↗
DOE OSTI2023

Review—Drag Coefficients of Non-Spherical and Irregularly Shaped Particles

Abstract The knowledge of simple and relatively accurate closure equations for the drag coefficients of nonspherical particles is very important for Eulerian multiphase numerical codes that require such inputs for the solution of the momentum equation. However, the existing correlations for the drag coefficients are laden with high uncertainty, which propagates in the numerical results. This review paper examines critically the state of our knowledge of the drag coefficients of nonspherical particles starting with our understanding of the “size” and “shape” of particles. Lengthscales and other parameters that have been used to characterize sizes of nonspherical particles are presented. Shape factors and shape descriptors that have been used in past correlations are also presented together with an appraisal of their applicability. Several correlations that have been developed for the determination of the drag coefficients of nonspherical particles with regular and irregular shapes are also presented together with available information on their accuracy and applicability. Based on the review of the available correlations general recommendations are offered on the use of the correlations as closure equations and inputs in computatioal fluid dynamics (CFD) codes.

Engineering↗
DOE OSTI2024

PeleMP: The Multiphysics Solver for the Combustion Pele Adaptive Mesh Refinement Code Suite

Combustion encompasses multiscale, multiphase reacting flow physics spanning a wide range of scales from the molecular scales, where chemical reactions occur, to the device scales, where the turbulent flow is affected by the geometry of the combustor. This scale disparity and the limited measurement capabilities from experiments make modeling combustion a significant challenge. Recent advancements in high-performance computing (HPC), particularly with the Department of Energy's Exascale Computing Project (ECP), have enabled high-fidelity simulations of practical applications to be performed. The major physics submodels, including chemical reactions, turbulence, sprays, soot, and thermal radiation, exhibit distinctive computational characteristics that need to be examined separately to ensure efficient utilization of computational resources. This paper presents the multiphysics solver for the Pele code suite, called PeleMP, which consists of models for spray, soot, and thermal radiation. Here, the mathematical and algorithmic aspects of the model implementations are described in detail as well as the verification process. The computational performance of these models is benchmarked on multiple supercomputers, including Frontier, an exascale machine. Results are presented from production simulations of a turbulent sooting ethylene flame and a bluff-body swirl stabilized spray flame with sustainable aviation fuels to demonstrate the capability of the Pele codes for modeling practical combustion problems with multiphysics. This work is an important step toward the exascale computing era for high-fidelity combustion simulations providing physical insights and data for predictive modeling of real-world devices.

42 ENGINEERING↗
DOE OSTI2021

An Investigation of the Effects of Volume Fraction on Drag Coefficient of Non-Spherical Particles Using PR-DNS

Prediction of the drag coefficient is required in gas-particle multiphase flow modeling and simulation. Experimental data and correlations on the fixed-bed system of spherical particles with high volume fractions for various possible arrangements are available in the literature. However, the effect of volume fraction on the drag coefficient of non-spherical particles is not well studied. In solving the momentum equation, the volume fraction plays a vital role in determining the flow resistances. In this paper, we study the impact of volume fraction in the range of 0.069 to 0.65 on the drag coefficient using the computational fluid dynamics (CFD) simulation of air for Reynold number in the range of 10 to 10000 using particle resolved direct numerical solution (PR-DNS). Regular non-spherical particles such as a cube, tetrahedron, and spheroids are used in this study since their single particle’s drag coefficient data are available in the literature for comparison. For this work, the simulations are carried out in the Ansys Fluent using polyhedral mesh, which consumes significantly less computational time and power. The study showed the sphericity and volume fraction have significant impact on the bed pressure drop and average drag coefficient of the particles in the bed especially in high Reynolds number regime. The bed of the spheroid experiences the lowest drag being the most streamlined particle, and the particles with the edges result in a large drag coefficient due to flow separation at the discontinuity. The vector plots verify this behavior where large wake regions are observed behind the tetrahedron particle.

Mahyawansi, Pratik↗