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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 OSTI2025

An innovative radial gradient material design using hot isostatic pressing for applications in extreme environments

Functionally graded materials (FGMs) are highly advanced continuous or discontinuous structures whose structural and material properties vary along a singular geometric dimension either in the axial or radial direction. Here, the radial gradient FGM design makes for an optimal structural design to incorporate a bi-metallic structure with a copper-based high entropy alloy (Cu-HEA) with good mechanical properties and high irradiation resistance, and Chromium (Cr) with great corrosion resistance. This study focuses on the experimental design of a metal powder loading mechanism to fabricate a bi-metallic radial gradient structure using Cu-HEA and 99.9 % pure Cr metal powders. The powder loading strategy uses custom-designed concentric cylindrical dividers to separate the individual compositions. Two benchtop trial runs were performed for design optimization. The optimized design was then implemented to eventually load the HEA and Cr powders for consolidation via powder metallurgy hot isostatic pressing (PM-HIP). The electron microscopy analysis reveals the successful fabrication of the radial gradient structure with the chemical mapping analysis, demonstrating the gradual composition shift from the HEA at the center to the pure-Cr at the periphery via a three-step gradient.

High Entropy Alloys (HEAs)↗
DOE OSTI2023

Gradient nanostructured steel with superior tensile plasticity

Nanostructured metallic materials with abundant high-angle grain boundaries exhibit high strength and good radiation resistance. While the nanoscale grains induce high strength, they also degrade tensile ductility. We show that a gradient nanostructured ferritic steel exhibits simultaneous improvement in yield strength by 36% and uniform elongation by 50% compared to the homogenously structured counterpart. In situ tension studies coupled with electron backscattered diffraction analyses reveal intricate coordinated deformation mechanisms in the gradient structures. The outermost nanolaminate grains sustain a substantial plastic strain via a profound deformation mechanism involving prominent grain reorientation. This synergistic plastic co-deformation process alters the rupture mode in the post-necking regime, thus delaying the onset of fracture. The present discovery highlights the intrinsic plasticity of nanolaminate grains and their significance in simultaneous improvement of strength and tensile ductility of structural metallic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Electronic structure and thermoelectric properties of CoAsSb with post-DFT approaches

Here, we study the electronic structure and thermoelectric properties of recently synthesized CoAsSb. The calculated bandgap becomes more accurate for increasingly-complex electronic structure methods: generalized gradient approximation, hybrid functionals, selfconsistent linearized quasiparticle GW method (LQSGW), and LQSGW with simplified vertex corrections. By equating the bandgaps of each method from a rigid shift of the bands, we evaluate the contributions made to thermoelectric properties beyond the bandgap. In doing so, we evaluate the efficacy of a commonpractice: a rigid shift applied to less-costly electronic structure methods in order to gain some accuracy of the more-costly methods. We find that while the shift made the Seebeck coefficients much closer to one another than from the original electronic structures, there remain differences in the Goldsmid-Sharp (thermoelectric) bandgap between the methods and from the intended electronic bandgap. Additionally, some lasting differences in temperature dependence remain between the methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Wind Turbine Rotor Design Using High-Fidelity Aerostructural Optimization

Large wind turbines yield more energy but demand careful aeroelastic blade design. Coupled multiphysics design strategies can reduce wind energy costs by exploiting fluid-structure interactions. This work presents the first high-fidelity aerostructural optimization study of a large wind turbine rotor. We use blade-resolved fluid dynamics and structural solvers in a monolithic gradient-based optimization framework to explore steady-state torque and blade mass tradeoffs. The coupled-adjoint approach computes gradients efficiently, enabling the optimization of over 100 structural and geometric parameters simultaneously. Our optimization study modifies a DTU 10 MW benchmark with a simplified structure and isotropic material properties. The tightly coupled optimizations increase torque by 14% while reducing rotor mass by 9% or reduce blade mass by 27% while maintaining torque. Blade-resolved models provide greater design freedom, enabling 5% higher mass reductions than conventional parameterizations at equal torque. This framework paves the way for more detailed high-fidelity optimization studies to complement conventional design approaches.

17 WIND ENERGY↗
DOE OSTI2022

[Presentation Slides] Code-to-Code Benchmark Study for Thermal Stress Modeling and Preliminary Analysis of the High-temperature Single Heat-Pipe Experiment

In the heat-pipe-cooled microreactor, heat pipes remove heat from the reactor core as a passive heat-transfer device, so the fluid circulation is not required for cooling, which can substantially simplify the overall reactor design. However, given the extremely high temperatures in the core region and potentially large temperature gradients across the structure materials, thermal stresses need to be well-analyzed to ensure structural integrity during normal operations and accident scenarios. This presentation slides discuss finite element method-based thermal-stress analysis for the high-temperature single heat-pipe test article in the Single Primary Heat Extraction and Removal Emulator (SPHERE) facility at Idaho National Laboratory (INL), using two commercial software packages, Abaqus and Star-CCM+. A code-to-code benchmark study was performed to crosscheck the model setup and capability of each code and to gain preliminary insights into the potential thermal stress concerns from the current experimental setup. It is observed the significant thermal stresses happen at the inner surface of the heat pipe hole surrounded by electric heaters where the largest temperature gradients appear. The temperature fields have good agreements between Abaqus and Star-CCM+, while the induced thermal stresses show modest deviations probably due to differences of meshing engines used in these two codes. It is found that the local maximum thermal stresses may reach close to the ultimate tensile strength and yield strength of structural material depending on the heater power. Ultimately, the coupled thermal-structural analysis will help guide the current experimental plan and ensure the facility safety for future experimental study.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

CODE-TO-CODE BENCHMARK STUDY FOR THERMAL STRESS MODELING AND PRELIMINARY ANALYSIS OF THE HIGH-TEMPERATURE SINGLE HEAT PIPE EXPERIMENT

Microreactors are very small nuclear reactors with typical thermal-energy output of up to 20 MWth. The microreactor concept is gaining more and more attention for safe, robust, and reliable supply of electricity for remote locations and to meet industrial process heat needs. Heat-pipe-cooled microreactor is one of the microreactors being investigated at Idaho National Laboratory. In the heat-pipe-cooled microreactor, heat pipes remove heat from the reactor core as a passive heat-transfer device, so the fluid circulation is not required for cooling, which can substantially simplify the overall reactor design. However, given the extremely high temperatures in the core region and potentially large temperature gradients across the structure materials, thermal stresses need to be well-analyzed to ensure structural integrity during normal operations and accident scenarios for the heat-pipe-cooled microreactor designs. This paper discusses finite element method-based thermal-stress analysis for the high-temperature single heat-pipe test article in the Single Primary Heat Extraction and Removal Emulator (SPHERE) facility at Idaho National Laboratory, using two commercial software packages, Abaqus and STAR-CCM+. A code-to-code benchmark study was performed to crosscheck the model setup and capability of each code and to gain insights into the potential thermal stress concerns from the current experimental setup. It is observed the significant thermal stresses happen at the locations where the largest temperature gradients appeared between heat pipe and electric heater. The temperature fields have good agreements between Abaqus and STAR-CCM+, while the induced thermal stresses show modest deviations probably due to differences of meshing engines used in these two codes.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Heating of Cs2Te photocathode via field emission and radiofrequency pulsed heating: Implication toward breakdown

The occurrence of radiofrequency (RF) breakdown limits operational electromagnetic gradients in accelerator structures. Experimental evidence often suggests that breakdown events are associated with temperature and dark current spikes on the surface of RF devices. In the past decade, there has been increased interest in unveiling the mechanism behind breakdown initiation in metal copper and copper alloys; however, efforts regarding a breakdown phenomenon in photocathode-relevant semiconductors have been more limited. In this work, we explore field-emission-assisted heating via Nottingham and Joule processes, as a possible candidate for breakdown initiation. For this, field emission from an intrinsic Cs2Te ultrathin film coated on a copper substrate was modeled within the Stratton–Baskin–Lvov–Fursey formalism, describing the processes and effects in the bulk and on the surface of a photocathode exposed to high RF electromagnetic fields. It is shown that a field-emission characteristic deviates significantly from the classical Fowler–Nordheim (FN) theory, whereby predicting that dark current is orders of magnitude lower than the one expected by FN law. Conventional pulsed heating was also found to impose negligible heating to the photocathode. Both conclusions suggest that a Cs2Te photocathode coated on a metal substrate would be insensitive to catastrophic thermal-material runaway breakdown, unlike what is observed for metal surfaces. Finally, a few unconventional breakdown candidate scenarios are identified and discussed, including thermoelastic deformation and avalanche breakdown.

Shinohara, Ryo (ORCID:0000000276995732)↗
DOE OSTI2023

Machine learning unifies flexibility and efficiency of spinodal structure generation for stochastic biomaterial design

Abstract Porous biomaterials design for bone repair is still largely limited to regular structures (e.g. rod-based lattices), due to their easy parameterization and high controllability. The capability of designing stochastic structure can redefine the boundary of our explorable structure–property space for synthesizing next-generation biomaterials. We hereby propose a convolutional neural network (CNN) approach for efficient generation and design of spinodal structure—an intriguing structure with stochastic yet interconnected, smooth, and constant pore channel conducive to bio-transport. Our CNN-based approach simultaneously possesses the tremendous flexibility of physics-based model in generating various spinodal structures (e.g. periodic, anisotropic, gradient, and arbitrarily large ones) and comparable computational efficiency to mathematical approximation model. We thus successfully design spinodal bone structures with target anisotropic elasticity via high-throughput screening, and directly generate large spinodal orthopedic implants with desired gradient porosity. This work significantly advances stochastic biomaterials development by offering an optimal solution to spinodal structure generation and design.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Compensating attenuation effects in full-waveform inversion with dissipation-dispersion decoupling

Seismic attenuation poses challenges to velocity model building from acoustic/elastic full-waveform inversion (FWI). In particular, when constructing the FWI gradient for velocity inversion, recent studies have indicated that the high-attenuation structure could distort the gradient by damping the amplitudes and shifting the kinematic phases, resulting in an imbalanced update and thus unreliable velocity model. These Q effects are particularly significant in the reflection acquisition geometry due to the “double-damping” issue. Here, we develop a Q-compensated FWI algorithm for constructing a Q-free FWI gradient. By using a recently developed viscoacoustic wave propagator, this compensation can be done conveniently by keeping the dispersion term and flipping the dissipation term in the wave equation when we simulate the forward and time-reversed adjoint wavefields. The resultant gradient obtained by interacting these two wavefields has correct kinematics and Q-free amplitudes. This Q-compensated FWI can balance the update between Q- and no- Q-areas, which we determine using synthetic examples. In addition, we illustrate how to take advantage of the dissipation-dispersion decoupling to determine the anomalous Q value in the Q model building workflow via Q-compensated reverse time migration.

Geochemistry & Geophysics↗
DOE OSTI2021

Gallidation assisted impurity doping

In one embodiment, a product includes a structure comprising a material of a Group-III-nitride having a dopant, where a concentration of the dopant in the structure has a concentration gradient characteristic of diffusion of the dopant inward from at least a portion of a surface of the structure in a direction substantially normal to the portion of the surface. The structure has less than 1% decomposition of the Group-III-nitride at the surface of the structure.

Voss, Lars↗
DOE OSTI2025

A Computational Framework to design 3D stiffness gradient acoustic metamaterials for impedance matching

Acoustic waves play a crucial role in various applications, including medical imaging, non-destructive testing, and sonar systems. One of the significant challenges in these applications is impedance matching, which is essential for minimizing reflections and maximizing the transfer of acoustic energy between different media. Acoustic metamaterials offer a promising solution to this challenge. In addition to impedance control, gradient stiffness can enhance structural efficiency and enable spatial control of wave propagation, making it a valuable feature in acoustic metamaterial design. In this pa- per, we present our developed computational method to design 3D stiffness gradient acoustic metamaterials for impedance matching. The key steps in our approach include generating initial designs using a periodic covariance function to provide unit cells that are both periodic on the boundaries and randomly formed inside the unit cell. Furthermore, we integrated manufacturing constraints into the design process, ensuring that the structures are interconnected for fabrication. We propose two computational optimization algorithms: GenUnit, based on a non-dominated sorting genetic algorithm (NSGA-II), and MLMatch, which leverages differentiable machine learning. The two approaches are not separate contributions but complementary com- ponents of a unified framework. GenUnit requires no training data and directly interfaces with physics-based simulations, making it highly accurate but slower for large-scale exploration. In contrast, MLMatch is data-hungry during training but, once trained, enables near-instantaneous inference and broad design-space coverage. Together, they form a hybrid strategy: ML- Match rapidly explores the global design space, and GenUnit provides local refinement with high-fidelity accuracy. This balance between training cost, inference time, and precision is the motivation for including both methods in the same study. We applied this dual-algorithm framework to generate two metallic-based metamaterial designs that match the acoustic impedance of water while exhibiting a controlled gradient in stiffness (from stiff to soft). The stiffness gradient is particularly advantageous in applications where one side of the structure must interface with soft or sensitive surfaces, such as human tissue or delicate components. Here, this work paves the way for improved materials in various acoustic applications, particularly in ultrasound devices, by providing better impedance.

Metamaterial↗
DOE OSTI2020

Maximizing the efficiency of plasma-based lepton accelerators

The next generation of particle accelerators will likely rely on compact accelerating structures to achieve very high gradients; one such candidate is accelerators using plasmas for the accelerating structures. Because of the small length scales of these structures, they can also be prone to the beam break-up instability, which would spoil the quality of the beam and leave it unsuitable for many applications. The goal of this project is to develop a framework for understanding the instabilities in plasma accelerators using language from conventional linear accelerator instabilities, such as wake fields and wake functions. During the course of this Phase I, we benchmarked a pseudo-spectral particle-in-cell code to determine its suitability for computing wake functions, and developed a procedure for extracting wake functions from a sequence of simulations using this code.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

The AGORA High-resolution Galaxy Simulations Comparison Project. IV. Halo and Galaxy Mass Assembly in a Cosmological Zoom-in Simulation at z ≤ 2

In this fourth paper from the AGORA Collaboration, we study the evolution down to redshift z = 2 and below of a set of cosmological zoom-in simulations of a Milky Way mass galaxy by eight of the leading hydrodynamic simulation codes. We also compare this CosmoRun suite of simulations with dark matter-only simulations by the same eight codes. We analyze general properties of the halo and galaxy at z = 4 and 3, and before the last major merger, focusing on the formation of well-defined rotationally supported disks, the mass–metallicity relation, the specific star formation rate, the gas metallicity gradients, and the nonaxisymmetric structures in the stellar disks. Codes generally converge well to the stellar-to-halo mass ratios predicted by semianalytic models at z ~ 2. We see that almost all the hydro codes develop rotationally supported structures at low redshifts. Most agree within 0.5 dex with the observed mass–metallicity relation at high and intermediate redshifts, and reproduce the gas metallicity gradients obtained from analytical models and low-redshift observations. We confirm that the intercode differences in the halo assembly history reported in the first paper of the collaboration also exist in CosmoRun, making the code-to-code comparison more difficult. We show that such differences are mainly due to variations in code-dependent parameters that control the time stepping strategy of the gravity solver. We find that variations in the early stellar feedback can also result in differences in the timing of the low-redshift mergers. All the simulation data down to z = 2 and the auxiliary data will be made publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

High absorption photovoltaic material and methods of making the same

A high absorption photovoltaic material and method of making the material for use in a solar cell are disclosed. The photovoltaic material includes a surface modified with a layer of repeating photonic crystal structures. The photonic crystal structures are approximately inverse conically shaped and have a curved sidewall that has an approximately Gaussian shape. The photonic crystal structures generally have a high vertical depth and sidewall angle. The structures also have a gradient refractive index profile and exhibit the parallel-to-interface refraction light trapping effect. An anti-reflective coating is disposed over the photonic crystal structure layer. The photovoltaic material exhibits near unity light absorption over a broad range of visible and near infrared wavelengths and incidence angles, even at reduced thicknesses. The photovoltaic structures are formed via a combined photolithography and reactive-ion etching method at low power with a gas mixture having a high ratio of an etchant component to a passivation component.

Kuang, Ping↗
DOE OSTI2021

Geometry and dynamics of passive scalar structures in compressible turbulent mixing

We present a structure-based numerical analysis of passive scalar mixing in decaying homogeneous isotropic turbulence (DHIT) and shock-turbulence interaction canonical configurations. The analysis focuses on the temporal evolution of ensembles of passive scalar structures, initialized as spheres of different sizes relative to the Taylor microscale. An algorithm is introduced to track the evolution of each individual structure and the interactions with other structures in the ensemble, relating changes in the surface geometry and the underlying physical processes (turbulent transport, scalar dissipation, and shock compression). The tracking algorithm is applied to datasets from shock-capturing direct numerical simulations of DHIT, with Taylor microscale Reynolds number Re λ =40 and turbulence Mach number M t =0.2 ⁠, and STI cases in which the turbulence is processed by a shock wave at Mach numbers M = 1.5 and 3.0. Temporal surface convolution increases for initially larger structures, resulting in a higher probability of locally hyperbolic geometries where breakup into smaller structures occurs. Shock-induced deformation of the structures amplifies breakup processes, enhancing mixing, particularly for larger structures. Mixing enhancement by the shock is manifested as an amplification of the surface-averaged scalar gradient, which increases for initially larger structures. The alignment between the scalar gradient and the most extensional strain-rate eigendirection on the scalar isosurfaces also increases across the shock. Larger magnitudes of the scalar gradient and its alignment with the most compressive strain-rate eigendirection correlate with flatter surface regions. Shock-induced structure compression increases the area coverage of flat regions, where the amplification of scalar gradient is localized.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Optimization of a traveling wave superconducting radiofrequency cavity for upgrading the International Linear Collider

The standing wave TESLA niobium-based superconducting radio frequency structure is limited to an accelerating gradient of about 50 MV/m by the critical rf magnetic field. To break through this barrier, we explore the option of niobium-based traveling wave (TW) structures. Optimization of TW structures was done considering experimentally known limiting electric and magnetic fields. It is shown that a TW structure can have an accelerating gradient above 70 MeV/m that is about 1.5 times higher than contemporary standing wave structures with the same critical magnetic field. The other benefit of TW structures shown is R/Q about 2 times higher than the TESLA structure that reduces the dynamic heat load by a factor of 2. A method is proposed how to make TW structures multipactor-free. Some design proposals are offered to facilitate fabrication. Further increase of the real-estate gradient (equivalent to 80 MV/m active gradient) is also possible by increasing the length of the accelerating structure because of higher group velocity and cell-to-cell coupling. Realization of this work opens paths to International Linear Collider energy upgrades beyond 1 to 3 TeV in competition with CLIC. The paper will discuss corresponding opportunities and challenges.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Molecular concentration field design using closed-form steady-state solutions

Control over spatial concentration fields represents a fundamental challenge in designing synthetic biological systems and programmable soft materials. While nature creates morphogen gradients that orchestrate complex developmental processes, synthetic approaches have largely relied on empirical optimization and computationally intensive simulations. Here, we present an analytical framework for steady-state concentration fields generated by finite-sized localized sources in diffusion–degradation systems and derive closed-form solutions for one-, two-, and three-dimensional geometries. By expressing these solutions in dimensionless form, we show that gradient steepness and spatial structure are organized by the Thiele modulus, which captures the competition between diffusion and degradation length scales. The analysis reveals distinct design regimes: in degradation-dominated systems, gradient shape is governed by exponential decay and becomes dimension-independent, whereas in diffusion-dominated systems, gradient magnitude and extent follow dimension-dependent power-law scaling. Building on these results, we introduce a quantitative design strategy that uses threshold-based criteria to program concentration ranges by tuning physically accessible parameters, most directly the production rate, while holding transport and degradation properties fixed. Comparisons with numerical solutions and reported experimental systems demonstrate consistency with the predicted scaling behavior. Together, this work provides a generalizable and physically transparent framework for designing steady-state concentration fields in synthetic biological and soft matter systems, enabling predictive control of gradient-mediated organization without reliance on extensive numerical optimization.

Kim, Dong Woo [Johns Hopkins University, Baltimore↗
DOE OSTI2020

Zonally dominated dynamics and Dimits threshold in curvature-driven ITG turbulence

The saturated state of turbulence driven by the ion-temperature-gradient instability is investigated using a two-dimensional long-wavelength fluid model that describes the perturbed electrostatic potential and perturbed ion temperature in a magnetic field with constant curvature (a $Z$ -pinch) and an equilibrium temperature gradient. Numerical simulations reveal a well-defined transition between a finite-amplitude saturated state dominated by strong zonal-flow and zonal temperature perturbations, and a blow-up state that fails to saturate on a box-independent scale. We argue that this transition is equivalent to the Dimits transition from a low-transport to a high-transport state seen in gyrokinetic numerical simulations (Dimits et al. , Phys. Plasmas , vol. 7, 2000, 969). A quasi-static staircase-like structure of the temperature gradient intertwined with zonal flows, which have patch-wise constant shear, emerges near the Dimits threshold. The turbulent heat flux in the low-collisionality near-marginal state is dominated by turbulent bursts, triggered by coherent long-lived structures closely resembling those found in gyrokinetic simulations with imposed equilibrium flow shear (van Wyk et al. , J. Plasma Phys. , vol. 82, 2016, 905820609). The breakup of the low-transport Dimits regime is linked to a competition between the two different sources of poloidal momentum in the system – the Reynolds stress and the advection of the diamagnetic flow by the $\boldsymbol {E}\times \boldsymbol {B}$ flow. By analysing the linear ion-temperature-gradient modes, we obtain a semi-analytic model for the Dimits threshold at large collisionality.

Physics↗