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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Thermal Equations of State of Magnesite: Implication for the Complex Mid‐Lower Mantle Seismic Scatterers

Abstract Magnesite (MgCO 3 ) entering the lower mantle together with the subducted oceanic crust is an important carbon carrier. The reaction between magnesite and mantle minerals has been documented, but its influence on the density and velocity profiles of lower mantle remains unexplored. To decipher the deep carbon transportation and its associated effect, here we determined the thermal equations of state of magnesite up to 120 GPa and 2600 K using X‐ray diffraction in laser‐heated diamond anvil cells. The obtained thermal elastic parameters of magnesite facilitated a comprehensive understanding on the influence of magnesite‐SiO 2 reaction, variation of carbon and SiO 2 content, and temperature on the origin of lower‐mantle scatterers at 1,000–1,800 km depth. Our modeling revealed that the depth of the lower‐mantleV S scatterers is mainly controlled by the Al 2 O 3 content in SiO 2 , while its magnitude depends on the SiO 2 content. Along normal geotherm, the magnesite‐SiO 2 reaction would occur before the post‐stishovite transition, consuming substantial SiO 2 in the subducted oceanic crust. Depending on the amount of residual SiO 2 , the post‐stishovite transition can produce a 2.5–5.2 (2)%V S reduction, compatible with the observed seismic scatterers in Izu‐Bonin and Mariana subduction zones. Along slab geotherm, this reaction occurs after the post‐stishovite transition, generating a greaterV S reduction of 4.4–6.4 (4)%. We thus propose that the reaction between sinking MgCO 3 and SiO 2 in the slab is one of the potential factors influencing the magnitude of the lower‐Vs scatterers at 1,000–1,900 km depth. Our results provide new insights into the deep‐mantle carbonate transportation influencing regional geophysics.

Geochemistry & Geophysics↗
DOE OSTI2020

Solitary wave solutions of the 2+1 and 3+1 dimensional nonlinear Dirac equation constrained to planar and space curves

Here, we study the effect of curvature and torsion on the solitons of the nonlinear Dirac equation considered on planar and space curves. Since the spin connection is zero for the curves considered here, the arc variable provides a natural setting to understand the role of curvature. We obtain for various curves in two and three dimensions the transformation of the Dirac equation to the 1 + 1 dimensional flat space Dirac equation written in terms of the arc length. Depending on the curvature, the soliton profile either narrows or expands. Our results may be applicable to yet-to-be-synthesized curved quasi-one dimensional Bose condensates.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Resistivity distribution and donor properties of antimony-doped n -type Czochralski silicon ingots

We investigate antimony (Sb)-doped Czochralski-grown silicon as an alternative n-type substrate for photovoltaic applications, and characterize their axial resistivity distribution, donor properties, and mechanical strength. We find that Sb-doped ingots can achieve a more uniform resistivity distribution along the axial direction compared to P-doped counterparts. Dopant concentration profiles in P-doped ingots can be accurately modelled using the standard Scheil's equation, accounting only for dopant segregation during solidification. In contrast, modelling Sb-doped ingots requires consideration of both dopant segregation and evaporation effects to fit the dopant distribution accurately. Using electron paramagnetic resonance spectroscopy at 9 K, we observe two hyperfine lines in P-doped samples, and six hyperfine lines for Sb 121 and eight for Sb 123 isotopes, with the number of hyperfine lines governed by the nuclear spins. We further identify two-atom Sb clustering in the Sb-doped wafers, confirmed through simulations of the additional weak electron paramagnetic resonance peaks. Finally, we find that 140 μm as-cut planar Sb-doped wafers exhibit slightly higher mechanical strength compared to P-doped wafers.

14 SOLAR ENERGY↗
DOE OSTI2021

Building predictive signaling models by perturbing yeast cells with time-varying stimulations resulting in distinct signaling responses

This protocol provides a step-by-step approach to perturb single cells with time-varying stimulation profiles, collect distinct signaling responses, and use these to infer a system of ordinary differential equations to capture and predict dynamics of protein-protein regulation in signal transduction pathways. The models are validated by predicting the signaling activation upon new cell stimulation conditions. In comparison to using standard step-like stimulations, application of diverse time-varying cell stimulations results in better inference of model parameters and substantially improves model predictions. For complete details on the use and results of this protocol, please refer to Jashnsaz et al. (2020).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Observations of Offshore Internal Boundary Layers

The growth of the marine internal boundary layer (MIBL, height h i ) with the shore-normal distance x, is a topic of continuing interest because of its applications in coastal dispersion, offshore wind farm siting, coastal air-sea fluxes and in evaporative ducting. Available data on MIBL are only scarce, given its difficult to measure the variability of coastal winds. During Coupled Air-Sea Processes and Electromagnetic Research (CASPER) campaigns an array of instrumentation was deployed to measure offshore spatial variability and its effect on electromagnetic wave propagation. Meteorological sensors (flux towers and remote sensing) were deployed along the coast of Point Mugu, California, on a research vessel and FLoating Instrument Platform (FLIP) provided surface layer and boundary layer observations. In this article, measurements from multiple remote sensing instruments, such as synchronized triple Doppler lidars, small boat operations with tethered lifting system, and radiosondes provide a holistic view of the MIBL growth and its spatial variability from the coast. A convective and stable MIBL observed during two intensive operating period days showed distinct growth characteristics off the coast of Point-Mugu. During stable stratified atmospheric conditions, an MIBL was observed at least up to 47 km from the coast. The growth of the MIBL within the nearshore adjustment zone was influenced by surrounding atmospheric, oceanographic, and topographic conditions. A new parameterization scheme is developed based on advection-diffusion balance equations accounting for upstream turbulence and compared with h i observations from Doppler lidar and profiles from small boat. An evaluation of existing IBL theories was also conducted.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A Numerical Modeling Framework for Flocculation and Cohesive Sediment Transport in the Wave Bottom Boundary Layer

Flocculation, a critical process in coastal and estuarine systems, plays a significant role in sediment transport, nutrient cycling, and ecological health. This study develops a cohesive sediment transport modeling framework tailored to the wave bottom boundary layer under dilute and equilibrium conditions, explicitly incorporating flocculation effects via a Population Balance Equation (PBE). Using Direct Numerical Simulation, six baseline cases, each with a distinct sediment concentration profile resulting from a constant settling velocity and critical erosion shear stress, are generated to drive the PBE flocculation model for given floc yield strength and stickiness. Results reveal that flocculation significantly influences sediment concentration profiles promoting three distinct stages, well‐mixed, transition to lutocline, and well‐developed lutocline. At low concentrations with well‐mixed profiles, cohesive floc properties are less significant, and turbulence is a main flocculation driver. In contrast, as concentration increases, cohesive floc properties become crucial, facilitating lutocline formation. Here, the analysis also highlights limitations of depth‐averaged settling velocity as a parameterization. It is suitable for well‐mixed and transitional profiles but fails in well‐developed lutoclines, where empirical formulations that explicitly incorporate turbulent shear rate and sediment concentration better capture variability. This study underscores the necessity of incorporating flocculation effects into sediment transport models to enhance predictions of sediment dynamics in wave bottom boundary layers.

Penaloza‐Giraldo, Jorge A. [Oak Ridge National Lab↗
DOE OSTI2022

Adaptive Mesh Refinement Large Eddy Simulation of the Supercritical Carbon Dioxide Round Turbulent Jet

Supercritical carbon dioxide (sCO2) is of interest to a range of engineering problems, including carbon capture, utilization, and storage (CCUS) as well as advanced cycles for power generation. Non-ideal variations in physical properties of sCO2 impact the physics of these systems. In this study, we simulate turbulent sCO2 jets to gain a better understanding of these physics.We use a second order finite volume method with adaptive mesh refinement as implemented in the first-principles simulation code PeleC to perform a Large Eddy Simulation (LES) of three turbulent jets of sCO2. Additionally, we use the Soave-Redlich-Kwong equation of state to close the system and examine the impact of a cubic equation of state on the turbulent flow physics. We look at velocity and Reynolds stress profiles at different downstream locations for three cases in which the temperature of the jet andthat of the ambient fluid differ in order to capture the effects of widely varying thermal properties in the pseudocritical region. These results are then contrasted with established theory for ideal gas jets.

adaptive mesh refinement↗
DOE OSTI2025

Subject-specific modeling framework for particle deposition using computational fluid dynamics

Quantifying particle deposition and dose in the respiratory tract requires a physiologically realistic representation and reproducible computational workflows. However, existing modeling frameworks, such as the International Commission on Radiological Protection (ICRP) compartmental models and the Multiple Path Particle Dosimetry (MPPD) tool, lack detailed deposition profiles and subject-specific capabilities. The combination of advances in computer vision algorithms applied to the respiratory tract and Computational Fluid and Particle Dynamics (CFPD) allows high-fidelity simulations of particle behavior in anatomically accurate geometries derived from individual CT scans. The segmentation, preprocessing, and file preparation task for a CFPD simulation was often time-consuming, and no prior studies to-date have yet presented a fully automated framework. This work presents a fully automated workflow to obtain individualized particle deposition profiles in the human respiratory tract. The pipeline starts with segmenting upper and lower airway geometries using morphological and deep learning-based methods, generating three-dimensional (3D) models from CT imaging data. Next, a series of algorithms are presented to quality check and prepare the 3D geometry for a CFD or CFPD simulation. The preprocessing step includes correcting geometric artifacts, enforcing a physically consistent mesh, and automatically identifying and capping multiple outlets, which is required for CFD/CFPD simulations. These processed models are then input into open-source (OpenFOAM) or commercial (StarCCM+) CFD solvers, where flow and transient particle transport equations — including turbulence and particle–wall interactions are solved under realistic breathing conditions. Finally, the resulting particle deposition profiles can be integrated with Monte Carlo radiation transport codes and state-of-the-art computational phantoms to assess organ-specific absorbed doses in scenarios of radioactive aerosol inhalation. The presented work streamlines respiratory tract segmentation, preprocessing for CFD/CFPD simulations, and integration with dose assessment workflows, reducing manual intervention and improving access to high-fidelity, subject-specific modeling. The high precision in predicted particle deposition and dose distributions can improve personalized treatment strategies in respiratory medicine and refine dose estimates for radiation protection.

AI↗
DOE OSTI2022

($\mathrm{INVITED}$)Counter-ion effect on the diffusion behavior of $\mathrm{Y}$b, $\mathrm{L}$u, and $\mathrm{N}$d ions in $\mathrm{YAG}$ transparent ceramics

The ability to fabricate additively manufactured laser waveguides with sharp dopant concentration interfaces is limited by diffusion of the dopants at the temperatures required to fully densify the material. Compositional analysis of bilayer samples, where each layer was either undoped YAG or YAG doped with Yb, Lu, or Nd, were fabricated such that all combinations were available for testing. Samples were fabricated at both 1750°C and 1850°C to determine the diffusion behavior of each dopant alone and also in the presence of a second dopant. It was found that the experimental concentration profiles exhibited both intragranular (bulk) and grain boundary contributions, and thus fitting to a complementary error function equation required the use of two diffusion coefficients. Nd always diffused further along grain boundaries than the other dopants, due in part to its small segregation coefficient in YAG. It is shown that the presence of Nd as a counter dopant inhibits intragranular diffusion of other dopants while enhancing their grain boundary diffusion. All the observed trends were attributed to a combination of intragranular lattice strain due to: dopant ions replacing yttrium substitutionally, the relative driving forces for the segregation of dopant ions to grain boundaries, and the ability of one dopant to affect the diffusion of a different dopant in the other direction to maintain charge neutrality.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electron temperature gradient driven transport model for tokamak plasmas

A new model for electron temperature gradient (ETG) modes is developed as a component of the multi-mode anomalous transport module [Rafiq et al., Phys Plasmas 20, 032506 (2013)] to predict a time-dependent electron temperature profile in conventional and low aspect ratio tokamaks. This model is based on two-fluid equations that govern the dynamics of low-frequency short- and long-wavelength electromagnetic toroidal ETG driven drift modes. A low collisionality NSTX discharge is used to scan the plasma parameter dependence on the ETG real frequency, growth rate, and electron thermal diffusivity. Electron thermal transport is discovered in the deep core region where modes are more electromagnetic in nature. Several previously reported gyrokinetic trends are reproduced, including the dependencies of density gradients, magnetic shear, β and gradient of β (β'), collisionality, safety factor, and toroidicity, where β is the ratio of the plasma pressure to the magnetic pressure. Furthermore, the electron heat diffusivity associated with the ETG mode is discovered to be on a scale consistent with the experimental diffusivity determined by power balance analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Simulating transient heat transfer in graphene at finite Knudsen number via the Boltzmann transport equation and molecular dynamics

The phonon Boltzmann transport equation (BTE) with the relaxation time approximation (RTA) scattering model is used to calculate transient temperature profiles in graphene, and the results are compared to analogous molecular dynamics (MD) simulations. For the BTE calculations, the phonon dispersion relation and frequency-dependent scattering rates are obtained from a combination of MD data and semi-empirical power-law expressions for the normal and Umklapp phonon lifetimes. The dimensions and initial temperature conditions of graphene are varied to study the size and temperature dependence of thermal transport physics at the mesoscopic scale. Good quantitative agreement to within 5% is found between the BTE and MD results, over a wide range of temperatures and lengthscales of the temperature variation in the graphene sheet. Small differences are attributed to the inaccuracy of the RTA as applied to graphene, and to neglecting four-phonon scattering in the BTE simulations. The present results may further understanding in applications such as the transient heating of nanoelectronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Geometric and thermodynamic characterization of binary neutron star accretion discs

Accretion disks formed in binary neutron star mergers play a central role in many astrophysical processes of interest, including the launching of relativistic jets or the ejection of neutron-rich matter hosting heavy element nucleosynthesis. In this work we analyze in detail the properties of accretion disks from 44 ab initio binary neutron star merger simulations for a large set of nuclear equations of state, binary mass ratios, and remnant fates, with the aim of furnishing reliable initial conditions for disk simulations and a comprehensive characterization of their properties. We find that the disks have a significant thermal support, with an aspect ratio decreasing with the mass ratio of the binary from ~0.7 to 0.3. Even if the disk sample spans a broad range in mass and angular momentum, their ratio is independent from the equation of state and from the mass ratio. This can be traced back to the rotational profile of the disk, characterized by a constant specific angular momentum (as opposed to a Keplerian one) of 3 – 5×10 16 cm 2 s –1 . The profiles of the entropy per baryon and of the electron fraction depend on the mass ratio of the binary. For more symmetric binaries, they follow a sigmoidal distribution as a function of the rest mass density, for which we provide a detailed description and a fit. Furthermore, the disk properties discussed in this work can be used as a robust set of initial conditions for future long-term simulations of accretion disks from binary neutron star mergers, posing the basis for progress in the quantitative study of the outflow properties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Electron Temperature Gradient Driven Transport Model for Tokamak Plasmas

A new model for electron temperature gradient (ETG) modes is developed as a component of the Multi-Mode anomalous transport module [T. Rafiq \textit{et al.,} Phys Plasmas \textbf{20}, 032506 (2013)] to predict a time dependent electron temperature profile in conventional and low aspect ratio tokamaks. This model is based on two-fluid equations that govern the dynamics of low-frequency short- and long-wavelength electromagnetic toroidal ETG driven drift modes. A low collisionality NSTX discharge is used to scan the plasma parameter dependence on the ETG real frequency, growth rate, and electron thermal diffusivity. Electron thermal transport is discovered in the deep core region where modes are more electromagnetic in nature. Several previously reported gyrokinetic trends are reproduced, including the dependencies of density gradients, magnetic shear, $\beta$ and gradient of $\beta$ $(\betap)$, collisionality, safety factor, and toroidicity, where $\beta$ is the ratio of plasma pressure to the magnetic pressure. The electron heat diffusivity associated with the ETG mode is discovered to be on a scale consistent with the experimental diffusivity determined by power balance analysis.

ETG↗
DOE OSTI2021

Development of Mission Profiles for Humidity Models in the Reliability Testing of PV Inverters: Preprint

To understand the impacts of humidity on PV inverters, mission profiles were developed to accurately describe the different processes and rates based on the environmental factors of temperature, relative humidity, and irradiance. The operating environment of the device introduces stress factors dependent on component temperature, relative humidity, and component voltage. The development of profiles started from looking at historical climate conditions at Cocoa, Florida, a hot and humid location. The profile developed from field location was compared with existing humidity test profiles in industrial and military standards to determine acceleration factors. Prior to the evaluation of the mission profiles, critical components in the PV inverter were identified based on vendor discussions along with failure modes of interest. The profiles considered in this study was demonstrated using a 4-kVA string inverter. The measurements from the devices were substituted in device manufacturer specified equation to determine the severity of each test. The severity of each test was compared against the severity of the 24-hour result to determine the acceleration factor of each test. The acceleration factors were determined to be over a range of 1.2-6 for the existing humidity tests from standards, when compared against the mission profile developed from field data. This optimal humidity/thermal profile will be passed to the IEC standards development for inverter qualification testing.

humidity models↗
DOE OSTI2021

Solving the Grad–Shafranov equation using spectral elements for tokamak equilibrium with toroidal rotation

The Grad–Shafranov equation is solved using spectral elements for tokamak equilibrium with toroidal rotation. The Grad–Shafranov solver builds upon and extends the NIMEQ code (Howell and Sovinec, 2014) previously developed for static tokamak equilibria. Both geometric and algebraic convergence are achieved as the polynomial degree of the spectral-element basis increases. A new analytical solution to the Grad–Shafranov equation is obtained for Solov’ev equilibrium in presence of rigid toroidal rotation, in addition to a previously obtained analytical solution for a different set of equilibrium and rotation profiles. The numerical solutions from the extended NIMEQ are benchmarked with the analytical solutions, with good agreements. Besides, the extended NIMEQ code is benchmarked with the FLOW code (Guazzotto et al., 2004). The modification of pressure profile induced by toroidal flow is investigated. The relative change of pressure profile is found significant around the edge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Aeroelastic oscillations of a pitching flexible wing with structural geometric nonlinearities: Theory and numerical simulation

In this paper, we focus on the derivation of an analytical model of the aeroelastic dynamics of an elastically mounted flexible wing. This equations of motion obtained serve to help understand the behaviour of the aeroelastic wind tunnel setup in question, which consists of a rectangular wing with a uniform NACA 0012 airfoil profile, whose base is free to rotate rigidly about a longitudinal axis. Of particular interest are the structural geometric nonlinearities primarily introduced by the coupling between the rigid body pitch degree-of-freedom and the continuous system. A coupled system of partial differential equations (PDEs) coupled with an ordinary differential equation (ODE) describing axial-bending-bending-torsion-pitch motion is derived using Hamilton's principle. A finite dimensional approximation of the system of coupled differential equations is obtained using the Galerkin method, leading to a system of coupled nonlinear ODEs. Subsequently, these nonlinear ODEs are solved numerically using Houbolt's method. The results that are obtained are verified by comparison with the results obtained by direct integration of the equations of motion using a finite difference scheme. Adopting a linear unsteady aerodynamic model, it is observed that the system undergoes coalescence flutter due to coupling between the rigid body pitch rotation dominated mode and the first flapwise bending dominated mode. Finally, the behaviour of the limit cycle oscillations is primarily influenced by the structural geometric nonlinear terms in the coupled system of PDEs and ODE.

42 ENGINEERING↗
DOE OSTI2023

Comparison of forward and inverse cam generation methods for the design of cam-linkage mechanisms

This paper presents a comparison between the forward and inverse cam generation methods applied to the design of a multi-lobed cam-rocker slider mechanism for function generation. In the forward method, the cam profile is specified directly and then the linkage output is determined using kinematics. In the inverse method, the trajectory of the output link is specified first and then the cam profile is determined using inverse linkage kinematics. First, the cam-linkage mechanism is introduced, and relevant kinematic equations are presented. Then, the cam generation methods are thoroughly explained. Here, the two cam generation methods are applied to a case study of a hydraulic motor using a multi-lobed cam and multiple linkage mechanisms. While the forward method has direct control of the cam shape, the inverse method has direct control of the linkage output and offers an advantage in calculation speed. For the mechanism selected, the cam designed with the inverse method achieved a reduction of at least 50.97% in the torque ripple when compared to the cam designed with the forward method.

42 ENGINEERING↗
DOE OSTI2024

Exploring toroidal anvil profiles for larger sample volumes above 4 Mbar

Abstract With the advent of toroidal and double-stage diamond anvil cells (DACs), pressures between 4 and 10 Mbar can be achieved under static compression, however, the ability to explore diverse sample assemblies is limited on these micron-scale anvils. Adapting the toroidal DAC to support larger sample volumes offers expanded capabilities in physics, chemistry, and planetary science: including, characterizing materials in soft pressure media to multi-megabar pressures, synthesizing novel phases, and probing planetary assemblages at the interior pressures and temperatures of super-Earths and sub-Neptunes. Here we have continued the exploration of larger toroidal DAC profiles by iteratively testing various torus and shoulder depths with central culet diameters in the 30–50 µm range. We present a 30 µm culet profile that reached a maximum pressure of 414(1) GPa based on a Pt scale. The 300 K equations of state fit to our P–V data collected on gold and rhenium are compatible with extrapolated hydrostatic equations of state within 1% up to 4 Mbar. This work validates the performance of these large-culet toroidal anvils to > 4 Mbar and provides a promising foundation to develop toroidal DACs for diverse sample loading and laser heating.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗