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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

PhaseChange Material Melting in an Energy Storage Module for a Micro Environmental ControlSystem

An experimentally validated finite element model (FEM) was developed to analyze the design parameters of a latent heat storage device (LHSD) for a micro environmental control system ( μ X). The μ X provides local cooling to an office worker in a room whose thermostat setpoint has been elevated from 23.9 °C (75 °F) to 26.1 °C (79 °F) in order to reduce heating, ventilation, and air conditioning (HVAC) energy consumption. For this application, the LHSD is designed to provide ≥50 W of cooling for a full, 8.5 h workday to restore thermal comfort in the warm, 26.1 °C room. The LHSD comprises several parallel slabs of encased phase change material (PCM) with interposed airflow channels. The airflow rate is selected to obtain ≥50 W of cooling at the end of the 8.5 h operation. The LHSD exhibits a decreasing cooling rate over the 8.5 h period when a constant airflow is passed through it, indicating that more cooling is supplied during the day than the minimum 50 W required for thermal comfort. The parametric analysis explores the effects of PCM thermal conductivity, slab thickness, air channel width, and number of slabs on LHSD performance. Parametric cases are compared against each other on the basis of their required PCM mass and energy consumption.

Engineering↗
DOE OSTI2016

Strategic latency and warning. Private sector perspectives on current intelligence challenges in science and technology

Lawrence Livermore National Laboratory and National Intelligence University convened a group of business experts to examine parallels between S&T competition in the marketplace and science and technology intelligence (S&TI). The experts identified the centrality of people — individuals and connected groups — to the successful development and application of latent S&T capabilities. People may indeed be more important to recognizing S&T potential than deep knowledge of any particular technology. This report explores the significance of this key insight for S&TI.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2018

End-System Aware Peak Link Utilization Transport for Big Data Transfer over Dedicated Connections

High-performance networks provisioning 10/40-Gbps dedicated channels have been rapidly developed andincreasingly deployed to support big data transfers on the order of terabytes or petabytes in large-scale network-intensiveapplications. However, end users have not seen corresponding increase in application throughput mainly because traditional end-to-end transport methods are not optimized for such connections. New congestion or flow control mechanisms are desirable to meet the challenges brought to transport protocol design by dedicated connections. The advent and proliferation of multi-core processors make it now possible to improve application throughput by providing multiple processing and network resources to a single data transfer. Based on the existing PLUT method, we proposed a new dynamic buffer management scheme and an automatic parallelism tuning mechanism to achieve the maximal bottleneck rate. The performance superiority of PLUT is justified by the experimental results collected over a local 10Gbps dedicated connection.

Rao, Nageswara↗
DOE OSTI2024

VAN-DAMME: GPU-accelerated and symmetry-assisted quantum optimal control of multi-qubit systems

We present an open-source software package, VAN-DAMME (Versatile Approaches to Numerically Design, Accelerate, and Manipulate Magnetic Excitations), for massively-parallelized quantum optimal control (QOC) calculations of multi-qubit systems. To enable large QOC calculations, the VAN-DAMME software package utilizes symmetry-based techniques with custom GPU-enhanced algorithms. This combined approach allows for the simultaneous computation of hundreds of matrix exponential propagators that efficiently leverage the intra-GPU parallelism found in high-performance GPUs. In addition, to maximize the computational efficiency of the VAN-DAMME code, we carried out several extensive tests on data layout, computational complexity, memory requirements, and performance. These extensive analyses allowed us to develop computationally efficient approaches for evaluating complex-valued matrix exponential propagators based on Padé approximants. To assess the computational performance of our GPU-accelerated VAN-DAMME code, we carried out QOC calculations of systems containing 10 - 15 qubits, which showed that our GPU implementation is 18.4× faster than the corresponding CPU implementation. Our GPU-accelerated enhancements allow efficient calculations of multi-qubit systems, which can be used for the efficient implementation of QOC applications across multiple domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

GLUE Code: A framework handling communication and interfaces between scales

Many scientific applications are inherently multiscale in nature. Such complex physical phenomena often require simultaneous execution and coordination of simulations spanning multiple time and length scales. This is possible by combining expensive small-scale simulations (such as molecular dynamics simulations) with larger scale simulations (such continuum limit/hydro solvers) to allow for considerably larger systems using task and data parallelism. However, the granularity of the tasks can be very large and often leads to load imbalance. Traditionally, we use approximations to streamline the computation of the more costly interactions and this introduces trade-offs between simulation cost and accuracy. In recent years, the available computational power and the advances in machine learning have made computing these scale-bridging interactions and multiscale simulations more feasible. One driving application has been plasma modeling in inertial confinement fusion (ICF), which is fundamentally multiscale in nature. This requires deep understanding of how to extrapolate microscopic information into macroscopically relevant scales. For example, in ICF one needs an accurate understanding of the connection between experimental observables and the underlying microphysics. The properties of the larger scales are often affected by the microscale behavior incorporated usually into the equations of state and ionic and electronic transport coefficients (Liboff, 1959; Rinderknecht et al., 2014; Rosenberg et al., 2015; Ross et al., 2017). Instead of incorporating this information using reliable molecular dynamics (MD) simulations, one often needs to use theoretical models, due to the inability of MD to reach engineering scales (Glosli et al., 2007; Marinak et al., 1998). One approach to resolve this issue is by coupling two MD simulations of different scales via force interpolation, e.g., the AdResS method (Krekeler et al., 2018; Nagarajan et al., 2013). Another approach, which we will pursue in the scope of this work, is by enabling scale bridging between MD simulations and meso/macro-scale models through the development and support of application programming interfaces that these different applications can interact through.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Light trapping architecture for photovoltaic and photodector applications

There is disclosed photovoltaic device structures which trap admitted light and recycle it through the contained photosensitive materials to maximize photoabsorption. For example, there is disclosed a photosensitive optoelectronic device comprising: a first reflective layer comprising a thermoplastic resin; a second reflective layer substantially parallel to the first reflective layer; a first transparent electrode layer on at least one of the first and second reflective layer; and a photosensitive region adjacent to the first electrode, wherein the first transparent electrode layer is substantially parallel to the first reflective layer and adjacent to the photosensitive region, and wherein the device has an exterior face transverse to the planes of the reflective layers where the exterior face has an aperture for admission of incident radiation to the interior of the device.

14 SOLAR ENERGY↗
DOE OSTI2020

DeepFreeze: Towards Scalable Asynchronous Checkpointing of Deep Learning Models

In the age of big data, deep learning has emerged as a powerful tool to extract insight and exploit its value, both in industry and scientific applications. One common pattern emerging in such applications is frequent checkpointing of the state of the learning model during training, needed in a variety of scenarios: analysis of intermediate states to explain features and correlations with training data, exploration strategies involving alternative models that share a common ancestor, knowledge transfer, resilience, etc. However, with increasing size of the learning models and popularity of distributed data-parallel training approaches, simple checkpointing techniques used so far face several limitations: low serialization performance, blocking I/O, stragglers due to the fact that only a single process is involved in checkpointing. This paper proposes a checkpointing technique specifically designed to address the aforementioned limitations, introducing efficient asynchronous techniques to hide the overhead of serialization and I/O, and distribute the load over all participating processes. Experiments with two deep learning applications (CANDLE and ResNet) on a pre-Exascale HPC platform (Theta) shows significant improvement over state-of-art, both in terms of checkpointing duration and runtime overhead.

checkpointing↗
DOE OSTI2017

Multi-Functional Zirconium-Silicide Coatings on Zirconium-alloy for Improved Accident Tolerance

Recently, development of protective coatings on zirconium-alloy (Zr-alloy) fuel cladding in light water reactors has been extensively investigated to enhance safety margins in accident scenarios. One accident scenario is degradation of the reactor core under a coolant-limited condition, where a large amount of Zr-alloy claddings would react with high temperature steam, leading to oxidation, hydrogen production, and loss of intrinsic mechanical properties of the fuel cladding. Although, total replacement of Zr-alloy with SiC-SiCf composites or FeCrAl is being considered for the long-term, application of oxidation resistant coatings on zirconium-alloy is being investigated as a near-term solution to mitigate oxidation of Zr-alloy and increase the accident coping time. Coatings, such as chromium, Ti{sub 2}AlC, SiC, and Cr{sub 3}C{sub 2}- NiCr, deposited by various deposition techniques have been investigated. In addition, recent studies on modified heating surface for heat transfer enhancement provides basis on the optimal design of coated Zr-alloy claddings so that the new cladding can be achieve accident tolerance and heat transfer efficiency for both accident and normal operation conditions. Therefore, boiling heat transfer from the coated surface to water environment must be evaluated in parallel. In heat transfer performance, boiling heat transfer is characterized by nucleate boiling, critical heat flux (CHF), transition boiling, minimum film boiling temperature (T{sub min}), and film boiling. Zirconium-silicide (ZrSi{sub 2}) is a potentially attractive protective coating material for cladding applications. Although this material has not been studied extensively, it appears to be a promising candidate because of the high melting points, and the low neutron penalty, and the generally good oxidation resistance to transition metal silicides. It has been reported that oxidation of ZrSi{sub 2} powder in a flowing air environment at elevated temperatures produced ZrO{sub 2}, SiO{sub 2}, and ZrSiO{sub 4}, pointing to the possibility of achieving highly protective surface layers of SiO{sub 2} and ZrSiO{sub 4} that would protect the material from further oxidation. In this study, magnetron sputter deposition of ZrSi{sub 2} on zirconium-alloy flats and cylindrical rods was performed. The coated samples were oxidized in high temperature air (700 deg. C, 1000 deg. C and 1200 deg. C) to evaluate their oxidation resistance. The coated cylindrical rods were quenched in saturated water to observe transition boiling, T{sub min}, film boiling regime, while the coated flats were tested in pool boiling facility to investigate nucleation boiling and CHF.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Wide-Bandgap Semiconductor Amplifiers for Fusion Plasma Heating and Control

This paper discusses power electronics developed under the ARPA-E GAMOW program to support nuclear fusion power production. The goal of this project was to develop and assess the potential for wide-bandgap (WBG) semiconductor devices in power electronics to enable high-efficiency and high-voltage solid-state systems for fusion plasma generation, heating, and control. The power electronics use an architecture in which multiple high-power boards can be combined to produce megawatt-level power, where using multiple boards provides high reliability. Two main areas of power electronics boards are developed in this project for fusion plasma heating and control applications: (1) pulse generation and control and (2) radiofrequency generation. The first area is for boards capable of driving high-voltage millisecond pulses at high duty cycles. The envisioned application of these pulses is in plasma control of magnetohydrodynamic instabilities, plasma position, and edge-localized modes. Pulse-width modulation allows for the implementation of a wide variety of linear and nonlinear control systems. The boards developed for this project could actuate control coils based on digital input signals and can be parallelized to provide megawatts of output power. The design of the pulse generator is a low-side load switch. A load switch was designed and constructed that utilized 2-kV-rated field-effect transistor (FET)-based cascodes developed by Qorvo under this project to perform initial testing of these cascodes. The second area is being implemented using class E amplifiers with WBG devices and a reactance steering network to handle inductive or capacitive plasma loads. Applications include ion cyclotron resonance heating (ICRH) and high-harmonic fast-wave (HHFW) heating. A class E reactance steering network is demonstrated in modeling and experiment with a resistive-inductive load that models an inductively-coupled plasma. Power combining of boards with class E reactance steering networks is also simulated and demonstrated experimentally, to enable scaling up to high power. Modeling of high-power-density cooling and remaining useful life is conducted to enable reliable, effectively cooled high-power electronics for fusion applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Formation and Shape Changing of Conductive Helical Ribbons via Deposition of Highly Stressed Films on Mechanically Responsive Substrates

Abstract This work demonstrates that the electrodeposition of highly stressed films on compliant ribbons is a robust process to obtain helical structures with excellent mechanical stability and potentially high thermal and electrical conductance. Electrodeposition on end‐tethered ribbons alters their axial and bending stiffness while imparting mechanical stress to drive the formation of a helix with a microscale diameter and pitch in a controlled and scalable manner. The process generates helices with diameters and pitches between 80 and 200 µm and lengths as large as several millimeters. The approach is amenable to parallel processing a large number of 3D structures on any substrate, including large‐area semiconductor wafers. This phenomenon is explained in terms of the change of stress gradients as material is added. Applications of the fabricated helices include antennas, metamaterials, and slow‐wave structures in frequency ranges not previously attainable.

Chemistry↗
DOE OSTI2015

Local search to improve coordinate-based task mapping

We present a local search strategy to improve the coordinate-based mapping of a parallel job’s tasks to the MPI ranks of its parallel allocation in order to reduce network congestion and the job’s communication time. The goal is to reduce the number of network hops between communicating pairs of ranks. Our target is applications with a nearest-neighbor stencil communication pattern running on mesh systems with non-contiguous processor allocation, such as Cray XE and XK Systems. Utilizing the miniGhost mini-app, which models the shock physics application CTH, we demonstrate that our strategy reduces application running time while also reducing the runtime variability. Furthermore, we further show that mapping quality can vary based on the selected allocation algorithm, even between allocation algorithms of similar apparent quality.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Non-saturating quantum magnetization in Weyl semimetal TaAs

Detecting the spectroscopic signatures of relativistic quasiparticles in emergent topological materials is crucial for searching their potential applications. Magnetometry is a powerful tool for fathoming electrons in solids, by which a clear method for discerning relativistic quasiparticles has not yet been established. Adopting the probes of magnetic torque and parallel magnetization for the archetype Weyl semimetal TaAs in strong magnetic field, we observed a quasi-linear field dependent effective transverse magnetization and a non-saturating parallel magnetization when the system enters the quantum limit. Distinct from the saturating magnetic responses for non-relativistic quasiparticles, the non-saturating signals of TaAs in strong field is consistent with our newly developed magnetization calculation for a Weyl fermion system in an arbitrary angle. Our results establish a high-field thermodynamic method for detecting the magnetic response of relativistic quasiparticles in topological materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Deep Gaussian process-based cost-aware batch Bayesian optimization for complex materials design campaigns

The accelerating pace and expanding scope of materials discovery demand optimization frameworks that efficiently navigate vast design spaces with complex response surfaces while judiciously allocating limited evaluation resources. We present a cost-aware, batch Bayesian optimization scheme powered by deep Gaussian process (DGP) surrogates and a heterotopic querying strategy. Our DGP surrogate, formed by stacking GP layers, models complex hierarchical relationships among high-dimensional compositional features and captures correlations across multiple target properties, propagating uncertainty through successive layers. We integrate evaluation cost into an upper-confidence-bound acquisition extension, which, together with heterotopic querying, proposes small batches of candidates in parallel, balancing exploration of under-characterized regions with exploitation of high-mean, low-variance predictions across correlated properties. Applied to refractory high-entropy alloys for high-temperature applications, our framework converges to optimal formulations in fewer iterations with cost-aware queries than conventional GP-based BO, highlighting the value of deep, uncertainty-aware, cost-sensitive strategies in materials campaigns.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Graph-based linear scaling electronic structure theory

We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Conduction band edge effective mass of La-doped BaSnO{sub 3}

BaSnO{sub 3} has attracted attention as a promising material for applications requiring wide band gap, high electron mobility semiconductors, and moreover possesses the same perovskite crystal structure as many functional oxides. A key parameter for these applications and for the interpretation of its properties is the conduction band effective mass. We measure the plasma frequency of La-doped BaSnO{sub 3} thin films by glancing incidence, parallel-polarized resonant reflectivity. Using the known optical dielectric constant and measured electron density, the resonant frequency determines the band edge electron mass to be 0.19 ± 0.01. The results allow for testing band structure calculations and transport models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Multifunctional nanopore electrode array method for characterizing and manipulating single entities in attoliter-volume enclosures

Structurally regular nanopore arrays fabricated to contain independently controllable annular electrodes represent a new kind of architecture capable of electrochemically addressing small collections of matter—down to the single entity (molecule, particle, and biological cell) level. Furthermore, these nanopore electrode arrays (NEAs) can also be interrogated optically to achieve single entity spectroelectrochemistry. Larger entities such as nanoparticles and single bacterial cells are investigated by dark-field scattering and potential-controlled single-cell luminescence experiments, respectively, while NEA-confined molecules are probed by single molecule luminescence. By carrying out these experiments in arrays of identically constructed nanopores, massively parallel collections of single entities can be investigated simultaneously. The multilayer metal–insulator design of the NEAs enables highly efficient redox cycling experiments with large increases in analytical sensitivity for chemical sensing applications. NEAs may also be augmented with an additional orthogonally designed nanopore layer, such as a structured block copolymer, to achieve hierarchically organized multilayer structures with multiple stimulus-responsive transport control mechanisms. Finally, NEAs constructed with a transparent bottom layer permit optical access to the interior of the nanopore, which can result in the cutoff of far-field mode propagation, effectively trapping radiation in an ultrasmall volume inside the nanopore. Furthermore, the bottom metal layer may be used as both a working electrode and an optical cladding layer, thus, producing bifunctional electrochemical zero-mode waveguide architectures capable of carrying out spectroelectrochemical investigations down to the single molecule level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

About a method for compressing X-ray computed microtomography data

The management of scientific data is of high importance especially for experimental techniques that produce big data volumes. Such a technique is x-ray computed tomography (CT) and its community has introduced advanced data formats which allow for better management of experimental data. Rather than the organization of the data and the associated meta-data, the main topic on this work is data compression and its applicability to experimental data collected from a synchrotron-based CT beamline at the Elettra-Sincrotrone Trieste facility (Italy) and studies images acquired from various types of samples. This study covers parallel beam geometry, but it could be easily extended to a cone-beam one. The reconstruction workflow used is the one currently in operation at the beamline. Contrary to standard image compression studies, this manuscript proposes a systematic framework and workflow for the critical examination of different compression techniques and does so by applying it to experimental data. Beyond the methodology framework, this study presents and examines the use of JPEG-XR in combination with HDF5 and TIFF formats providing insights and strategies on data compression and image quality issues that can be used and implemented at other synchrotron facilities and laboratory systems. In conclusion, projection data compression using JPEG-XR appears as a promising, efficient method to reduce data file size and thus to facilitate data handling and image reconstruction

data compression↗
DOE OSTI2016

Select Advances in Computational Accelerator Physics

Computational accelerator physics has changed and broadened over the last decade or so. Part of the change is due to the advent of multiple ways of parallel computing. Another part comes from algorithmic developments. The multiple ways of parallel computing include distributed memory parallelism and on-chip parallelism, with the latter coming from architectures (CPU and GPU) having multiple processing elements (cores or streaming multiprocessors) and wide vector (SIMD) instruction units. The basics of these new architectures and their application to computational accelerator physics are briefly reviewed. Algorithmic advances in the select areas of spin tracking, cavity calculations, plasma acceleration, and electron cooling are also reviewed. In some cases the algorithms provide increased fidelity improving the overall accuracy, while in other cases, such as controlled dispersion, the algorithms provide increased fidelity by better modeling the essential physical interaction. Finally, the use of computational frameworks, which provide the basic computational infrastructure, while allowing the capability developer to concentrate on the math and physics, is reviewed in the context of the Vorpal application, which has found use across accelerator physics and many other fields.

Engineering↗