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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 37 records · Page 2
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A Moving Discontinuous Galerkin Method with Interface Condition Enforcement for Reacting Hypersonic Flows

The necessity of enforcing conservation in computational elements or cells (element conservation) for discontinuous solutions is well understood and respected for solving conservation laws in computational fluid dynamics (CFD). In contrast, interface conservation, where the conservation across cell interfaces is enforced, is long ignored, and yet is also ruled and required by the underlying physics just like element conservation. Violation of the interface conservation across discontinuities is the root cause why an exact discontinuous solution can never be achieved in shock capturing methods. The interface conservation is examined and explored in this talk. Moving discontinuous Galerkin (MDG) finite element method with interface conservation enforcement (MDG-ICE) [1],[2] are then presented for solving compressible flow problems with discontinuities based on the observation that the interface conservation can only be satisfied, only when mesh interfaces are aligned with discontinuities. In the MDG-ICE formulation, both conservative quantities and grid geometry are considered as independent variables. A space-time DG formulation is used to solve the multi-material compressible Euler equations in the standard discontinuous solution space and the discrete grid geometry is solved using a variational formulation in a continuous space. A self-adaptive Levenberg-Marquardt method is utilized to solve the resulting over-determined system of nonlinear equations arising from the MDG-ICE formulation. A number of numerical experiments for a variety of flow problems are conducted to assess the accuracy and performance of the MDG-ICE method. Numerical results obtained indicate that the MDG-ICE method is able to deliver the designed order of both h- and p-convergence even for discontinuous solutions, and detect all types of interfaces, via interface condition enforcement and satisfy, via grid movement, the compressible Euler equations and the associated interface condition.

Discontinuous Galekin↗
DOE OSTI2025

Numerical simulation of compressible fluid-dynamics in the chamber of inertial fusion energy systems

Here, this paper aims to establish new and innovative modeling capabilities for analyzing chambers in Inertial Fusion Energy (IFE) systems. IFE is emerging as a promising method to achieve fusion power production, but several challenges must be overcome to develop an IFE pilot plant or deploy commercial IFE systems. These challenges are both theoretical and technical, encompassing a deeper understanding of the underlying physical phenomena and the development of new technologies and materials. One of the needs is to develop mathematical models to describe IFE systems and numerical tools to simulate them. This paper contributes to this endeavor by presenting a new OpenFOAM solver for IFE systems, focusing on gas dynamics in their chambers. The analysis and development of chamber designs will play a significant role in the transition from single-shot experiments to high-repetition rates, as there is a need to protect the chamber walls from the intense radiation fields produced by fusion reactions. A promising design option, normally referred to as thick wall chamber design, consists in using lithium or molten salt jet arrays within the chamber. A critical phenomenon is the venting of high-pressure gases from the center to the external part of the chamber, passing through the blanket array. This process involves the propagation and attenuation of strong pressure waves, requiring suitable modeling approaches for compressible fluid-dynamics. The solver proposed in this work implements a multi-material hydrodynamics model tailored to accurately describe the non-linear propagation of pressure waves while avoiding numerical oscillation issues typical of high-velocity compressible simulation. This solver is verified against numerical test cases, validated against experimental data, and applied to the analysis of the High-Yield Lithium-Injection Fusion-Energy (HYLIFE-I) concept. The relevance of this paper is threefold. Firstly, it contributes to developing and testing modeling approaches for compressible fluid-dynamics phenomena, with specific focus on the new and unexplored topic of IFE thick-liquid-wall blanket modeling. Secondly, it marks one of the first applications of the OpenFOAM library in the research field of IFE systems. Finally, the investigated problem is of practical interest for IFE developers, as it provides useful indications about relevant phenomena in pressure wave propagation in the chamber of these systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Mono‐Materials Created by Engineering a Continuum of P3HB Stereomicrostructures in a One‐Step Catalytic Process

Multi-material products that combine multiple complementary polymers can create products with desired performance but present challenges to end-of-life (EoL) management. The emerging mono-material product design based on a single polymer type addresses the fundamental EoL issue, but challenges of delivering vastly tunable material properties by the single polymer still remain. Here, we introduce a simple strategy to produce biodegradable poly(3-hydroxybutyrate) (P3HB) materials with a wide range of material properties by engineering a stereomicrostructure continuum, achieved through polymerizing diastereomeric mixtures of racemic and meso-dimethyl diolides at various feed ratios with a single catalyst. This one-step, one-pot process produces biodegradable P3HB mono-materials ranging from rigid to flexible thermoplastics, to tough thermoplastic elastomers, to a pressure-sensitive adhesive (PSA), which have been then combined to fabricate prototype all-P3HB PSA tapes, demonstrating the feasibility of designing mono-material products through engineering polymer stereomicrostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Shock Stabilization of the HLLC Riemann Solver for the Carbuncle Instability

The HLLC approximate Riemann solver improves upon the HLL Riemann solver by resolving contact discontinuities. This is a particularly desirable property for multi-material codes in which problems usually contain material interfaces. However, the HLLC solver is known to suffer from the carbuncle phenomenon, a numerical instability most apparent at grid-aligned shocks in multi-dimensional simulations. Many problems of interest, including high energy-density physics applications, require the accurate resolution of both material interfaces and hydrodynamic shocks. A variety of methods have been developed to cure this instability, with varying degrees of complexity. The objective of this work is to describe a simple approach to modify the HLLC Riemann solver and prevent the carbuncle instability. Here, the method is then demonstrated for assorted two-dimensional test problems known to exhibit the shock instability. The performance of the new solver is compared with that of the standard HLL and HLLC Riemann solvers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A System-Level Model for Estimating Residual Strain and Life of Nuclear Reactor Coolant System Components Under Connected-System-Thermal–Mechanical Boundary Conditions

Background: Environmental-assisted fatigue (EAF) is a major issue for the long-term survival of nuclear power plant fleets in the U.S. and worldwide. Multi-material welded regions (e.g., nozzles) and other high-stress regions of reactor coolant system (RCS) components are prone to EAF-related damage. Objective: The discussed work describes a system-level finite element (FE) model of RCS components of a pressurized water reactor (PWR). This is with the goal of predicting the stress hotspots, strain residuals, strain amplitudes and the resulting fatigue lives. Methods: Herein, the FE model was developed considering system-level loading conditions (under connected system thermal-mechanical boundary conditions). Thermal-mechanical stress analysis was performed considering thermal stratification and a design-basis reactor loading cycle. Based on the FE model results, the strain residuals, strain amplitudes and resulting fatigue lives of RCS components were predicted. Results: The results show that some of the RCS components can have significantly different strain amplitudes, residual strain, and fatigue lives, despite having similar geometry and material. Higher residual strain can lead to accelerated cyclic hardening of material and the associated effect of EAF. The simulated component-level strain profile (under realistic multi-axial-multi-physics loading cycle) can guide the selection of appropriate test inputs for conducting laboratory-scale EAF tests, which is a focus of future works. Conclusions: Despite similar geometry and material the RCS component can have significantly different strain profiles and resulting fatigue lives. The discussed approach can help to identify and prioritize the RCS components for conducting expensive nondestructive evaluation (NDE) inspections.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Modification of Jet Velocities in an Explosively Loaded Copper Target with a Conical Cavity

Here, in this work, the design and execution of an experiment with the goal of demonstrating control over the evolution of a copper jet is described. Simulations show that when using simple multi-material buffers placed between a copper target with a conical cavity and a cylinder of high-explosive, a variety of jetting behaviors occur based on material placement, including both jet velocity augmentation and mitigation. A parameter sweep was performed to determine optimal buffer designs in two configurations. Experiments using the optimal buffer designs verified the effectiveness of the buffers at altering jet velocities. Similar trends were shown between the experimental results and the modeling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A study of adhesive bonding in metal–metal, metal–CFRP, and CFRP–CFRP material combinations under shear deformation: Fracture morphologies and damage mechanisms

Safe design of adhesive joining in multi-materials in engineered structures requires the accumulation of numerous experimental data on the failure behavior of various adhesively-bonded material combinations under different loading conditions. The deep understanding of mechanical performance, fracturing morphologies, and main damage mechanisms is also quintessential for accelerating the development of proper physics-based and multi-scale models for assisting the design. Towards this goal, this work presents a comprehensive characterization of the failure behavior of adhesively-bonded metal–metal, metal–CFRP, and CFRP–CFRP material combinations under global shear deformation via single lap shear testing. Thanks to a synergistic combination of measurement methods by using Digital Imaging Correlation (DIC) and 3D optical profilometry, adhesive features on the adherend after failure were quantified and the main progressive damage mechanisms were identified. The characterization performed in this work provides quantitative data that contributes to a better understanding of shear failure in adhesive bonding across different bi-material combinations. Finally, the obtained results have practical implications, including the potential to enhance adhesive bonding design, identify failure causes in adhesive joints, and develop or validate computational models capable of capturing the observed behavior in various adhesively-bonded materials under global shear deformation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Conservative remapping of material-dependent fields between possibly misaligned material regions

In this work, we propose an interpolation or remapping algorithm of material-dependent fields on polyhedral meshes where any source or target cell contains only one material. It is conservative and it preserves sharp material boundaries on the target mesh, even if the source and target regions delineating the same material are slightly misaligned. If those material regions are aligned, then the algorithm is also linearity-preserving and bounds-preserving. For a given material, it consists of a conservative field reconstruction on a target mesh part from a source mesh part associated with that material, followed by a repair step in case of misaligned boundaries. No assumption is made regarding the topology of the input meshes

36 MATERIALS SCIENCE↗
DOE OSTI2022

Surface chemistry of neutron irradiated tungsten in a high-temperature multi-material environment

Deuterium retention was measured on neutron irradiated tungsten samples where one side of the samples had a visually clean metallic luster and the opposite side appeared to have a reacted surface film. Deuterium plasma exposure and subsequent thermal desorption from the reacted surface side produced spectra with larger total deuterium desorption at lower temperatures than from the clean surface side. For neutron irradiation, these W disk samples were installed in an irradiation capsule in such a way that one side of W sample was in contact with the surface of another W sample, and the opposite side was in contact with a SiC temperature monitor. The composition of the reacted surface was investigated using X-ray photoelectron spectroscopy and showed that SiC had interdiffused into the W samples. Neutron enhanced diffusion likely contributed to this as SiC and W are stable at temperatures exceeding the irradiation temperature. Results highlight the need to consider the surface chemistry of samples in drawing conclusions on hydrogen isotope retention of W materials and also illustrate the complexity of multi-material nuclear environments expected in fusion devices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Mono-material product design with bio-based, circular, and biodegradable polymers

The traditional multi-material product design of plastic products significantly complicates both existing and emerging recycling processes. Here, we discuss the concept of mono-material product design, which is based on circular and biodegradable polymers made of a single monomer, delivering tailorable properties via molecular or macromolecular engineering without changing its chemical makeup or composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Advanced supramolecular design for direct ink writing of soft materials

The exciting advancements in 3D-printing of soft materials are changing the landscape of materials development and fabrication. Among various 3D-printers that are designed for soft materials fabrication, the direct ink writing (DIW) system is particularly attractive for chemists and materials scientists due to the mild fabrication conditions, compatibility with a wide range of organic and inorganic materials, and the ease of multi-materials 3D-printing. Inks for DIW need to possess suitable viscoelastic properties to allow for smooth extrusion and be self-supportive after printing, but molecularly facilitating 3D printability to functional materials remains nontrivial. While supramolecular binding motifs have been increasingly used for 3D-printing, these inks are largely optimized empirically for DIW. Hence, this review aims to establish a clear connection between the molecular understanding of the supramolecularly bound motifs and their viscoelastic properties at bulk. Herein, extrudable (but not self-supportive) and 3D-printable (self-supportive) polymeric materials that utilize noncovalent interactions, including hydrogen bonding, host–guest inclusion, metal–ligand coordination, micro-crystallization, and van der Waals interaction, have been discussed in detail. In particular, the rheological distinctions between extrudable and 3D-printable inks have been discussed from a supramolecular design perspective. Examples shown in this review also highlight the exciting macroscale functions amplified from the molecular design. Challenges associated with the hierarchical control and characterization of supramolecularly designed DIW inks are also outlined. The perspective of utilizing supramolecular binding motifs in soft materials DIW printing has been discussed. Finally, this review serves to connect researchers across disciplines to develop innovative solutions that connect top-down 3D-printing and bottom-up supramolecular design to accelerate the development of 3D-print soft materials for a sustainable future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Modeling atomically mixed graded density impactors

Graded density impactors (GDIs) are multi-material composite impactors used in gas gun experiments to tailor the drive conditions imparted to a sample test material. Previous graded density impactors generally rely on thin, but discrete, layers of different materials. The thinner and the greater number of layers will result in smoother compression. Taken to the limit of very thin layers would be pure material 1 at one surface, such as the front surface of an impactor, smoothly transitioning at the atomic scale to pure material 2 on the back surface. Such an impactor can initially shock, then smoothly compresses a material during a dynamic experiment. This type of experiment can serve to explore a larger region of thermodynamic space than a single or even multi-shock experiments. An overview of how graded density impactors are made is reviewed and sample results are given. Additionally, a strategy for modeling these kinds of impactors is presented. The length scales of constituent mixing are given from the experimental build through electrochemical-deposition. Equation of state models for pure constituents and their subsequent mixtures are presented. It is demonstrated that the time scales for pressure and temperature equilibration, for atomically mixed GDIs, are short enough to be a justifiable closure for the resulting multiphase flow. Furthermore, we present simulation results of dynamic shock followed by a ramp compression, utilizing a silver/gold graded density impactor, onto a tantalum sample.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Dual-energy fast neutron imaging using tunable short-pulse laser-driven sources

Here a novel dual-energy fast neutron imaging technique is presented using short-pulse laser-driven neutron sources to leverage their inherent adaptive spectral control to enable 3D volume segmentation and reconstruction. Laser-accelerated ion beams incident onto secondary targets create directional, broadband, MeV-class neutrons. Synthetic radiographs are produced of multi-material objects using ion and neutron spectra derived from analytic and numerical models. It is demonstrated that neutron images generated from small changes to the neutron spectra, controlled by altering the initial laser conditions, are sufficient to isolate materials with differing attenuation coefficients. This is first demonstrated using a simplistic combinatorial isolation method and then by employing more advanced reconstruction algorithms to reduce artifacts and generate a segmentation volume of the constituent materials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Low temperature recovery of OFF-state stress induced degradation of AlGaN/GaN high electron mobility transistors

Thermal annealing is a widely used strategy to enhance semiconductor device performance. However, the process is complex for multi-material multi-layered semiconductor devices, where thermoelastic stresses from lattice constant and thermal expansion coefficient mismatch may create more defects than those annealed. We propose an alternate low temperature annealing technique, which utilizes the electron wind force (EWF) induced by small duty cycle high density pulsed current. To demonstrate its effectiveness, we intentionally degrade AlGaN/GaN high electron mobility transistors (HEMTs) with accelerated OFF-state stressing to increase ON-resistance ∼182.08% and reduce drain saturation current ∼85.82% of pristine condition at a gate voltage of 0 V. We then performed the EWF annealing to recover the corresponding values back to ∼122.21% and ∼93.10%, respectively. The peak transconductance, degraded to ∼76.58% of pristine at the drain voltage of 3 V, was also recovered back to ∼92.38%. This recovery of previously degraded transport properties is attributed to approximately 80% recovery of carrier mobility, which occurs during EWF annealing. We performed synchrotron differential aperture x-ray microscopy measurements to correlate these annealing effects with the lattice structural changes. We found a reduction of lattice plane spacing of (001) planes and stress within the GaN layer under the gate region after EWF annealing, suggesting a corresponding decrease in defect density. Application of this low-temperature annealing technique for in-operando recovery of degraded electronic devices is discussed.

Physics↗
DOE OSTI2022

Tardigrade (Quarterly Report Q1 FY2022)

Tardigrade is an effort to create tunable thermal expansion materials for use in a ruggedized lens housing. This requires new computational algorithms to model and predict thermal performance of meta-materials composed of multiple structured base materials and void-space, along with matching and developing 3D print technology to demonstrate the housing. The project is 27 months into the 36-month plan. We are continuing effort on 3 main technical thrusts: material design algorithm development (transitioning into full 3D design), multi-material additive manufacturing process exploration, and sensor/optics design and engineering. In the last quarter, we have focused on developing the code for 3D Topology Optimization, building data sets for 2D autoencoder training, and finishing lens housing engineering for the microbolometer based test sensor. We are exploring 2 potential multi-material AM technologies, a polymer-based technique in development at LLNL and a metal SLS system produced by Aconity, called the AeroSint deposition head.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Self-Consistent Relativistic Electron Scattering using the Sherlock Scattering Model for X-ray Diagnostics

We present on a new, self-consistent, arbitrary-temperature Romberg integration scheme for modeling electron scattering in materials in a LANL Lagrangian Shock Hydro (LSH) code. Electron beam-target interactions are fundamental to a wide range of scientific and technological applications. When high-energy electron beams hit their target, they may scatter, deposit energy, or ionize the source. These processes govern the behavior and outcomes in nanotechnology manufacturing, electron microscopy, and modern X-ray diagnostics. Simulating these interactions is essential for interpreting experimental results, predicting material responses, and designing efficient tools and experiments. At Los Alamos, this is done using a LSH code, which is a multi-dimension, multi-material, massively parallel, multi-physics code used to simulate applications from asteroid impacts to electron beam interactions. By effectively and efficiently modeling the way that electrons scatter from the beam we can bolster these simulations and more accurately predict experimental outcomes. The model currently implemented in the LSH of interest is based on work by Papp and does not self-consistently preserve momentum in the slightly relativistic regime; here we adopt a model proposed by Braams and Karney and implement a Romberg integration scheme to compute the diffusion tensor. In this paper we will provide background on the Braams-Karney diffusion tensor as well as the Romberg integration scheme we employed to numerically solve for it. We will show that our integration scheme is accurate in solving for the set of scalar potentials used to re-express the diffusion tensor in differential form, and in solving for the diffusion coefficients in the larger LSH code. By using this diffusion tensor rather than the existing Papp one, and numerically integrating it with a Romberg method, we produce much more accurate, self-consistent results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Variation in surface properties as error sources in dynamic temperature measurements

Most temperature measurement methods rely upon the assumption of a single uniform source as part of the analysis in inferring an observed temperature T from the surface of a material. This is true for the radiometric and spectroscopic methods we rely upon in shock physics. However, there are obvious cases where this is a poor assumption that can cause large errors in analysis, such as the measurement of emission from a surface composed of more than one material, such as a rusted surface of Fe and Fe 2 O 3 , or a multi-material surface that could be produced through alloying methods (e.g., mokume gane) or 3D printing. Here we perform an initial examination of the effects of varied surface properties upon the analysis using idealized test data to constrain when we may have better confidence in the resulting calculations. We also examine the structures of the fits to test whether, in principle, comparing the fit with ideal gray bodies would reveal such a structure and enable the researcher to identify when a two-temperature fitting model should be used instead of a single- T model or a wavelength-dependent emissivity model.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A Review on Progress, Challenges, and Prospects of Material Jetting of Copper and Tungsten

Copper (Cu) and tungsten (W) possess exceptional electrical and thermal conductivity properties, making them suitable candidates for applications such as interconnects and thermal conductivity enhancements. Solution-based additive manufacturing (SBAM) offers unique advantages, including patterning capabilities, cost-effectiveness, and scalability among the various methods for manufacturing Cu and W-based films and structures. In particular, SBAM material jetting techniques, such as inkjet printing (IJP), direct ink writing (DIW), and aerosol jet printing (AJP), present a promising approach for design freedom, low material wastes, and versatility as either stand-alone printers or integrated with powder bed-based metal additive manufacturing (MAM). Thus, this review summarizes recent advancements in solution-processed Cu and W, focusing on IJP, DIW, and AJP techniques. The discussion encompasses general aspects, current status, challenges, and recent research highlights. Furthermore, this paper addresses integrating material jetting techniques with powder bed-based MAM to fabricate functional alloys and multi-material structures. Finally, the factors influencing large-scale fabrication and potential prospects in this area are explored.

36 MATERIALS SCIENCE↗