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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 847 records · Page 47

FPDeep: Scalable Acceleration of CNN Training on Deeply-Pipelined FPGA Clusters

In this paper, we propose a framework called FPDeep, which uses a hybrid of model and layer paral- lelism to configure distributed reconfigurable clusters to train DNNs. This approach has numerous benefits. First, the design does not suffer from batch size growth. Second, novel workload and weight partitioning leads to balanced loads of both among nodes. And third, the entire system is fine-grained pipeline. This leads to high parallelism and utilization and also minimizes the time features need to be cached while waiting for back-propagation.

Wang, Tianqi↗

Large-scale integration of artificial atoms in hybrid photonic circuits

A central challenge in developing quantum computers and long-range quantum networks is the distribution of entanglement across many individually controllable qubits. Colour centres in diamond have emerged as leading solid-state ‘artificial atom’ qubits because they enable on-demand remote entanglement, coherent control of over ten ancillae qubits with minute-long coherence times and memory-enhanced quantum communication. A critical next step is to integrate large numbers of artificial atoms with photonic architectures to enable large-scale quantum information processing systems. So far, these efforts have been stymied by qubit inhomogeneities, low device yield and complex device requirements. Here we introduce a process for the high-yield heterogeneous integration of ‘quantum microchiplets’—diamond waveguide arrays containing highly coherent colour centres—on a photonic integrated circuit (PIC). We use this process to realize a 128-channel, defect-free array of germanium-vacancy and silicon-vacancy colour centres in an aluminium nitride PIC. Photoluminescence spectroscopy reveals long-term, stable and narrow average optical linewidths of 54 megahertz (146 megahertz) for germanium-vacancy (silicon-vacancy) emitters, close to the lifetime-limited linewidth of 32 megahertz (93 megahertz). We show that inhomogeneities of individual colour centre optical transitions can be compensated in situ by integrated tuning over 50 gigahertz without linewidth degradation. The ability to assemble large numbers of nearly indistinguishable and tunable artificial atoms into phase-stable PICs marks a key step towards multiplexed quantum repeaters and general-purpose quantum processors

36 MATERIALS SCIENCE↗

Efficient optimization method for finding minimum energy paths of magnetic transitions

Here, efficient algorithms for the calculation of minimum energy paths of magnetic transitions are implemented within the geodesic nudged elastic band (GNEB) approach. While an objective function is not available for GNEB and a traditional line search can, therefore, not be performed, the use of limited memory Broyden–Fletcher–Goldfarb–Shanno (LBFGS) and conjugate gradient algorithms in conjunction with orthogonal spin optimization (OSO) approach is shown to greatly outperform the previously used velocity projection and dissipative Landau–Lifschitz dynamics optimization methods. The implementation makes use of energy weighted springs for the distribution of the discretization points along the path and this is found to improve performance significantly. The various methods are applied to several test problems using a Heisenberg-type Hamiltonian, extended in some cases to include Dzyaloshinskii–Moriya and exchange interactions beyond nearest neighbours. Minimum energy paths are found for magnetization reversals in a nano-island, collapse of skyrmions in two-dimensional layers and annihilation of a chiral bobber near the surface of a three-dimensional magnet. The LBFGS-OSO method is found to outperform the dynamics based approaches by up to a factor of 8 in some cases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Multi-Dimensional Spectral Difference Method for Unstructured Grids

A new, high-order, conservative, and efficient method for conservation laws on unstructured grids is developed. It combines the best features of structured and unstructured grid methods to attain computational efficiency and geometric flexibility; it utilizes the concept of discontinuous and high-order local representations to achieve conservation and high accuracy; and it is based on the finite-difference formulation for simplicity. Universal reconstructions are obtained by distributing unknowns in a geometrically similar manner for all unstructured cells. Placements of the unknown and flux points with various order of accuracy are given for the line, triangular and tetrahedral elements. The data structure of the new method permits an optimum use of cache memory, resulting in further computational efficiency on modern computers. A new pointer system is developed that reduces memory requirements and simplifies programming for any order of accuracy. Numerical solutions are presented and compared with the exact solutions for wave propagation problems in both two and three dimensions to demonstrate the capability of the method. Excellent agreement has been found. The method is simpler and more efficient than previous discontinuous Galerkin and spectral volume methods for unstructured grids.

Liu, Yen↗

Single-Frame Terrain Mapping Software for Robotic Vehicles

This software is a component in an unmanned ground vehicle (UGV) perception system that builds compact, single-frame terrain maps for distribution to other systems, such as a world model or an operator control unit, over a local area network (LAN). Each cell in the map encodes an elevation value, terrain classification, object classification, terrain traversability, terrain roughness, and a confidence value into four bytes of memory. The input to this software component is a range image (from a lidar or stereo vision system), and optionally a terrain classification image and an object classification image, both registered to the range image. The single-frame terrain map generates estimates of the support surface elevation, ground cover elevation, and minimum canopy elevation; generates terrain traversability cost; detects low overhangs and high-density obstacles; and can perform geometry-based terrain classification (ground, ground cover, unknown). A new origin is automatically selected for each single-frame terrain map in global coordinates such that it coincides with the corner of a world map cell. That way, single-frame terrain maps correctly line up with the world map, facilitating the merging of map data into the world map. Instead of using 32 bits to store the floating-point elevation for a map cell, the vehicle elevation is assigned to the map origin elevation and reports the change in elevation (from the origin elevation) in terms of the number of discrete steps. The single-frame terrain map elevation resolution is 2 cm. At that resolution, terrain elevation from 20.5 to 20.5 m (with respect to the vehicle's elevation) is encoded into 11 bits. For each four-byte map cell, bits are assigned to encode elevation, terrain roughness, terrain classification, object classification, terrain traversability cost, and a confidence value. The vehicle s current position and orientation, the map origin, and the map cell resolution are all included in a header for each map. The map is compressed into a vector prior to delivery to another system.

Rankin, Arturo L.↗

Memory management and compiler support for rapid recovery from failures in computer systems

This paper describes recent developments in the use of memory management and compiler technology to support rapid recovery from failures in computer systems. The techniques described include cache coherence protocols for user transparent checkpointing in multiprocessor systems, compiler-based checkpoint placement, compiler-based code modification for multiple instruction retry, and forward recovery in distributed systems utilizing optimistic execution.

Fuchs, W. K.↗

First-principles study and experimental characterization of metal incorporation in germanium telluride

Germanium telluride is a well-known phase change material (PCM) used in non-volatile memory cells and radio frequency switches. Controlling the properties of GeTe for improved PCM device performance has sometimes been achieved by doping and/or alloying with metals, often at concentrations greater than 10 at. % and using non-equilibrium methods. Here, since switching PCMs between the low-resistance crystalline and high-resistance amorphous states requires a heating cycle, the stability of metal-incorporated GeTe (Ge 0.5–x M x Te 0.5 ) films is also critical to practical implementation of these materials in electronic and optoelectronic devices. In this work, we use both density-functional theory and experimental characterization methods to probe the solubility and critical properties of Ge 0.5–x M x Te 0.5 films. Using first-principles calculations, we determine the enthalpy of formation for GeTe with 2.08, 4.17, and 6.25 at. % of Cu, Fe, Mn, Mo, and Ti and show trends between the stability of the Ge 0.5–x M x Te 0.5 systems and the atomic position, composition, and distribution of the metal atoms in the GeTe matrix.

36 MATERIALS SCIENCE↗

Structural Evolution of Mixed-Addenda Keggin Polyoxometalate Anions with Atom-by-Atom Substitution

Polyoxometalates (POMs) are molecular metal oxides with distinctive electronic properties that make them promising materials for applications in energy, sensors, and memory devices. One of the most promising methods of tuning the stability, photochromic, redox, and electron-spin properties of POMs is through the substitution of the metal “addenda” atoms that, along with oxygen, constitute their cage-like structures. Because traditional synthesis methods typically produce a distribution of POMs, the isolation and characterization of multimetallic POMs with predetermined stoichiometry remains challenging. The presence of multiple energetically accessible isomers further complicates the experimental characterization and theoretical modeling of multimetallic POMs. Herein, we leverage the distinguishing mass-selection capabilities of ion soft landing to prepare stoichiometrically selected Keggin PMo x W 12-x O 40 3- (x = 0 – 6, 8, 10, and 12) POMs on self-assembled monolayer surfaces free of the solvent molecules and counterions that often confound characterization of complex species at interfaces. The structures of the supported POMs are characterized with atom-by-atom precision using in situ infrared (IR) reflection absorption spectroscopy complemented by detailed density functional theory calculations. Our joint experimental and theoretical results reveal an almost linear shift in the positions of the IR bands towards lower wavenumbers with an increase in the number of lighter molybdenum atoms compared to heavier W atoms in PMoxW 12-x O 40 3- . The theoretical calculations also indicate that numerous isomeric structures may be populated at the experimental conditions and, consequently, contribute to the overall IR spectra. In conclusion, our findings indicate that in addition to the number of substituted addenda atoms and the presence of multiple isomeric structures, interactions with the surface play an important role in determining the IR spectra and structure of supported bimetallic POMs.

Prabhakaran, Venkateshkumar [Pacific Northwest Nat↗

Dispatch Manager for NEML2 Constitutive Model Calculations Embedded in MOOSE

This report describes the extended capabilities of the NEML2 constitutive modeling library, including a flexible and efficient work dispatching system designed to leverage both CPU and GPU resources. This enhancement addresses one of the primary computational challenges in large-scale simulations: the ability to distribute and execute batches of material model evaluations across heterogeneous computing devices. The new dispatch system introduces a modular set of dispatcher and scheduler classes that coordinate the flow of data and execution between devices. The dispatcher is responsible for efficiently packaging work, managing device-specific memory operations, and synchronizing results. This modularity allows for extensibility, making it straightforward to integrate additional computing backends in the future. From an implementation standpoint, the dispatcher system interfaces seamlessly with NEML2's existing models. They handle device-aware tensor operations, optimize memory transfers, and support asynchronous execution when applicable. This design ensures that batches of material points can be evaluated concurrently, substantially improving throughput compared to previous single-device or serial implementations. These improvements not only enhance the raw performance of NEML2 but also improve its usability in multiscale and high-fidelity simulations, where the simultaneous evaluation of large material point batches is critical. Benchmarks included in the report demonstrate the system’s scalability, highlighting its effectiveness when leveraging modern GPU architectures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Fatigue of graphite/epoxy /0/90/45/-45/s laminates under dual stress levels

A model for the prediction of loading sequence effects on the statistical distribution of fatigue life and residual strength in composite materials is generalized and applied to (0/90/45/-45)s graphite/epoxy laminates. Load sequence effects are found to be caused by both the difference in residual strength when failure occurs (boundary effect) and the effect of previously applied loads (memory effect). The model allows the isolation of these two effects, and the estimation of memory effect magnitudes under dual fatigue loading levels. It is shown that the material memory effect is insignificant, and that correlations between predictions of the number of early failures agree with the verification tests, as do predictions of fatigue life and residual strength degradation under dual stress levels.

Yang, J. N.↗

Comparison of uniform perturbation solutions and numerical solutions for some potential flows past slender bodies

Approximate solutions for potential flow past an axisymmetric slender body and past a thin airfoil are calculated using a uniform perturbation method and then compared with either the exact analytical solution or the solution obtained using a purely numerical method. The perturbation method is based upon a representation of the disturbance flow as the superposition of singularities distributed entirely within the body, while the numerical (panel) method is based upon a distribution of singularities on the surface of the body. It is found that the perturbation method provides very good results for small values of the slenderness ratio and for small angles of attack. Moreover, for comparable accuracy, the perturbation method is simpler to implement, requires less computer memory, and generally uses less computation time than the panel method. In particular, the uniform perturbation method yields good resolution near the regions of the leading and trailing edges where other methods fail or require special attention.

Wong, T. C.↗

Comparison of uniform perturbation and numerical solutions for some potential flows past slender bodies

Approximate solutions for potential flow past an axisymmetric slender body and past a thin airfoil are calculated using a uniform perturbation method and then compared with either the exact analytical solution or the solution obtained using a purely numerical method. The perturbation method is based upon a representation of the disturbance flow as the superposition of singularities distributed entirely within the body, while the numerical (panel) method is based upon a distribution of singularities on the surface of the body. It is found that the perturbation method provides very good results for small values of the slenderness ratio and for small angles of attack. Moreover, for comparable accuracy, the perturbation method is simpler to implement, requires less computer memory, and generally uses less computation time than the panel method. In particular, the uniform perturbation method yields good resolution near the regions of the leading and trailing edges where other methods fail or require special attention.

Wong, T.-C.↗

PCLIPS

CLIPS is an expert system, created specifically to allow rapid implementation of an expert system. CLIPS is written in C, and thus needs a very small amount of memory to run. Parallel CLIPS (PCLIPS) is an extension to CLIPS which is intended to be used in situations where a group of expert systems are expected to run simultaneously and occasionally communicate with each other on an integrated network. PCLIPS is a coarse-grained data distribution system. Its main goal is to take information in one knowledge base and distribute it to other knowledge bases so that all the executing expert systems are able to use that knowledge to solve their disparate problems.

Krolak, Patrick D.↗

Enhancement and Extension of Porosity Model in the FDNS-500 Code to Provide Enhanced Simulations of Rocket Engine Components

In the past, the design of rocket engines has primarily relied on the cold flow/hot fire test, and the empirical correlations developed based on the database from previous designs. However, it is very costly to fabricate and test various hardware designs during the design cycle, whereas the empirical model becomes unreliable in designing the advanced rocket engine where its operating conditions exceed the range of the database. The main goal of the 2nd Generation Reusable Launching Vehicle (GEN-II RLV) is to reduce the cost per payload and to extend the life of the hardware, which poses a great challenge to the rocket engine design. Hence, understanding the flow characteristics in each engine components is thus critical to the engine design. In the last few decades, the methodology of computational fluid dynamics (CFD) has been advanced to be a mature tool of analyzing various engine components. Therefore, it is important for the CFD design tool to be able to properly simulate the hot flow environment near the liquid injector, and thus to accurately predict the heat load to the injector faceplate. However, to date it is still not feasible to conduct CFD simulations of the detailed flowfield with very complicated geometries such as fluid flow and heat transfer in an injector assembly and through a porous plate, which requires gigantic computer memories and power to resolve the detailed geometry. The rigimesh (a sintered metal material), utilized to reduce the heat load to the faceplate, is one of the design concepts for the injector faceplate of the GEN-II RLV. In addition, the injector assembly is designed to distribute propellants into the combustion chamber of the liquid rocket engine. A porosity mode thus becomes a necessity for the CFD code in order to efficiently simulate the flow and heat transfer in these porous media, and maintain good accuracy in describing the flow fields. Currently, the FDNS (Finite Difference Navier-Stakes) code is one of the CFD codes which are most widely used by research engineers at NASA Marshall Space Flight Center (MSFC) to simulate various flow problems related to rocket engines. The objective of this research work during the 10-week summer faculty fellowship program was to 1) debug the framework of the porosity model in the current FDNS code, and 2) validate the porosity model by simulating flows through various porous media such as tube banks and porous plate.

Cheng, Gary↗

Research on Spectroscopy, Opacity, and Atmospheres

To make my calculations more readily accessible I have set up a web site cfaku5.harvard.edu that can also be accessed by FTP. it has 5 9GB disks that hold all of my atomic and diatomic molecular data, my tables of distribution function opacities, my grids of model atmospheres, colors, fluxes, etc, my program that are ready for distribution, most of my recent papers. Atlases and computed spectra will be added as they are completed. New atomic and molecular calculations will be added as they are completed. I got my atomic programs that had been running on a Cray at the San Diego Supercomputer Center to run on my Vaxes and Alpha. I started with Ni and Co because there were new laboratory analyses that included isotopic and hyperfine splitting. Those calculations are described in the appended abstract for the 6th Atomic Spectroscopy and oscillator Strengths meeting in Victoria last summer. A surprising finding is that quadrupole transitions have been grossly in error because mixing with higher levels has not been included. I now have enough memory in my Alpha to treat 3000 x 3000 matrices. I now include all levels up through n=9 for Fe I and 11, the spectra for which the most information is available. I am finishing those calculations right now. After Fe I and Fe 11, all other spectra are "easy", and I will be in mass production. ATL;LS12, my opacity sampling program for computing models with arbitrary abundances, has been put on the web server. I wrote a new distribution function opacity program for workstations that replaces the one I used on the Cray at the San Diego Supercomputer Center. Each set of abundances would take 100 Cray hours costing $100,000. 1 ran 25 cases. Each of my opacity CDs contains three abundances. I have a new program -iinning on the Alpha that takes about a week. I am going to have to get a faster processor or I will have to dedicate a whole workstation just to opacities.

Kurucz, Robert L.↗

Effect of heat treatment paths on the aging and rejuvenation of metallic glasses

Here, this study explores the influence of heat treatment paths on the structural relaxation of metallic glasses (MGs) in the regime of fast dynamics. We create MG samples using various quenching rates, from 10 9 to 10 11 K/s, and expose these samples to near-T g heat treatments with assorted combinations of heating/cooling rates, from 5×10 10 to 5×10 12 K/s, and annealing durations, from 10 ps to 10 ns. Results show that the effect of the heating rate is intricately tied to the initial structure of the MG, while a decrease in the cooling rate invariably intensifies the aging process. Extending the annealing duration may induce either aging or rejuvenation, subject to the specific thermal history. To interpret these findings, we hypothesize that the memory effect, governed by the activation and annihilation of reversible and irreversible flow units, underpins the rejuvenation-aging competition in MGs. Moreover, we suggest viewing the cooling stage as an annealing phase controlled by gradient temperature and fine-tuning its rate to achieve the targeted active flow unit distributions. This study illuminates the role of fast dynamics during the glass relaxation process and offers practical strategies for tailoring heat treatments to optimize MG structures and mechanical performance.

36 MATERIALS SCIENCE↗

Generation and Control of Self-Organized Nonlinear Kinetic Structures in High Energy Density Plasmas in the Presence of Intense Magnetic Fields and Ultrashort Laser Pulses

Goals were to study the interplay between electron plasma waves (EPW), KEEN waves and externally generated magnetic fields. In particular, the Weibel instability B field generation process and its interrelationship with the existence of nonlinear EPWs in high energy density plasmas. We focused on a number of models of how Kinetic, Nonlinear Electron Plasma Waves, KNL-EPW and KEEN waves create anisotropic electron velocity distribution functions, e- VDF, and how these anisotropic e- VDFs in turn drive the Weibel instability and generate B fields. Our goal is to control the SRS and SKEENS processes that generate the KNL-EPW, control the anisotropy, and thus also control the dynamics of the resulting B fields, their influence on the transport coefficients and heat transport that results, their modification of SRS itself and the reinforced anisotropy driven loop gain.

(Kinetic electrostatic electron nonlinear) KEEN wa↗

Fourier-MIONet: Fourier-enhanced multiple-input neural operators for multiphase modeling of geological carbon sequestration

Geologic carbon sequestration (GCS) is a safety-critical technology that aims to reduce the amount of carbon dioxide in the atmosphere, which also places high demands on reliability. Multiphase flow in porous media is essential to understand CO 2 migration and pressure fields in the subsurface associated with GCS. However, numerical simulation for such problems in 4D is computationally challenging and expensive, due to the multiphysics and multiscale nature of the highly nonlinear governing partial differential equations (PDEs). It prevents us from considering multiple subsurface scenarios and conducting real-time optimization. Here, we develop a Fourier-enhanced multiple-input neural operator (Fourier-MIONet) to learn the solution operator of the problem of multiphase flow in porous media. Fourier-MIONet utilizes the recently developed framework of the multiple-input deep neural operators (MIONet) and incorporates the Fourier neural operator (FNO) in the network architecture. Once Fourier-MIONet is trained, it can predict the evolution of saturation and pressure of the multiphase flow under various reservoir conditions, such as permeability and porosity heterogeneity, anisotropy, injection configurations, and multiphase flow properties. Compared to the enhanced FNO (U-FNO), the proposed Fourier-MIONet has 90% fewer unknown parameters, and it can be trained in significantly less time (about 3.5 times faster) with much lower CPU memory (<15%) and GPU memory (<35%) requirements, to achieve similar prediction accuracy. In addition to the lower computational cost, Fourier-MIONet can be trained with only 6 snapshots of time to predict the PDE solutions for 30 years. Furthermore, we observed that Fourier-MIONet can maintain good accuracy when predicting out-of-distribution (OOD) data. The excellent generalizability of Fourier-MIONet is enabled by its adherence to the physical principle that the solution to a PDE is continuous over time. Furthermore, the developed Fourier-MIONet makes it possible to solve the long-time evolution of geological carbon sequestration in a large-scale three-dimensional space accurately and efficiently.

97 MATHEMATICS AND COMPUTING↗