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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Improving MPI Collective I/O for High Volume Non-Contiguous Requests With Intra-Node Aggregation

Two-phase I/O is a well-known strategy for implementing collective MPI-IO functions. It redistributes I/O requests among the calling processes into a form that minimizes the file access costs. As modern parallel computers continue to grow into the exascale era, the communication cost of such request redistribution can quickly overwhelm collective I/O performance. In this study, this effect has been observed from parallel jobs that run on multiple compute nodes with a high count of MPI processes on each node. Furthermore, to reduce the communication cost, we present a new design for collective I/O by adding an extra communication layer that performs request aggregation among processes within the same compute nodes. This approach can significantly reduce inter-node communication contention when redistributing the I/O requests. We evaluate the performance and compare it with the original two-phase I/O on Cray XC40 parallel computers (Theta and Cori) with Intel KNL and Haswell processors. Using I/O patterns from two large-scale production applications and an I/O benchmark, we show our proposed method effectively reduces the communication cost and hence maintains the scalability for a large number of processes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

High-performance computing in water resources hydrodynamics

In this work, we present a vision of future water resources hydrodynamics codes that can fully utilize the strengths of modern high-performance computing. The advances to computing power, formerly driven by the improvement of central processing unit processors, now focus on parallel computing and, in particular, the use of graphics processing units (GPUs). However, this shift to a parallel framework requires refactoring the code to make efficient use of the data as well as changing even the nature of the algorithm that solves the system of equations. These concepts along with other features such as the precision for the computations, dry regions management, and input/output data are analyzed in this paper. A 2D multi-GPU flood code applied to a large-scale test case is used to corroborate our statements and ascertain the new challenges for the next-generation parallel water resources codes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Uncovering Access, Reuse, and Sharing Characteristics of I/O-Intensive Files on Large-Scale Production HPC Systems

Large-scale high-performance computing (HPC) applications running on supercomputers produce large amounts of data routinely and store it in files on multi-PB shared parallel storage systems. Unfortunately, storage community has a limited understanding of the access and reuse patterns of these files. This paper investigates the access and reuse patterns of I/O-intensive files on a production-scale supercomputer.

Patel, Tirthak↗
NASA NTRS1993

A parallel adaptive mesh refinement algorithm

Over recent years, Adaptive Mesh Refinement (AMR) algorithms which dynamically match the local resolution of the computational grid to the numerical solution being sought have emerged as powerful tools for solving problems that contain disparate length and time scales. In particular, several workers have demonstrated the effectiveness of employing an adaptive, block-structured hierarchical grid system for simulations of complex shock wave phenomena. Unfortunately, from the parallel algorithm developer's viewpoint, this class of scheme is quite involved; these schemes cannot be distilled down to a small kernel upon which various parallelizing strategies may be tested. However, because of their block-structured nature such schemes are inherently parallel, so all is not lost. In this paper we describe the method by which Quirk's AMR algorithm has been parallelized. This method is built upon just a few simple message passing routines and so it may be implemented across a broad class of MIMD machines. Moreover, the method of parallelization is such that the original serial code is left virtually intact, and so we are left with just a single product to support. The importance of this fact should not be underestimated given the size and complexity of the original algorithm.

Quirk, James J.↗
DOE OSTI2025

Machine Learning-Driven Conservative-to-Primitive Conversion in Hybrid Piecewise Polytropic and Tabulated Equations of State

We present a novel machine learning (ML)-based method to accelerate conservative-to-primitive inversion, focusing on hybrid piecewise polytropic and tabulated equations of state. Traditional root-finding techniques are computationally expensive, particularly for large-scale relativistic hydrodynamics simulations. To address this, we employ feedforward neural networks (NNC2PS and NNC2PL), trained in PyTorch (2.0+) and optimized for GPU inference using NVIDIA TensorRT (8.4.1), achieving significant speedups with minimal accuracy loss. The NNC2PS model achieves 𝐿 1 and 𝐿 ∞ errors of 4.54 × 10 −7 and 3.44 × 10−6, respectively, while the NNC2PL model exhibits even lower error values. TensorRT optimization with mixed-precision deployment substantially accelerates performance compared to traditional root-finding methods. Specifically, the mixed-precision TensorRT engine for NNC2PS achieves inference speeds approximately 400 times faster than a traditional single-threaded CPU implementation for a dataset size of 1,000,000 points. Ideal parallelization across an entire compute node in the Delta supercomputer (dual AMD 64-core 2.45 GHz Milan processors and 8 NVIDIA A100 GPUs with 40 GB HBM2 RAM and NVLink) predicts a 25-fold speedup for TensorRT over an optimally parallelized numerical method when processing 8 million data points. Moreover, the ML method exhibits sub-linear scaling with increasing dataset sizes. We release the scientific software developed, enabling further validation and extension of our findings. By exploiting the underlying symmetries within the equation of state, these findings highlight the potential of ML, combined with GPU optimization and model quantization, to accelerate conservative-to-primitive inversion in relativistic hydrodynamics simulations.

conservative-to-primitive conversion↗
NASA NTRS2002

The General Isothermal Oxidation Behavior of Cu-8Cr-4Nb

Oxidation kinetics of Cu-8Cr-4Nb was investigated by TGA (thermogravimetric) exposures between 500 and 900-C (at 25-50 C intervals) and the oxide scale morphologies examined by microscopy and micro-analysis. Because Cu-8Cr-4Nb is comprised of fine Cr2Nb precipitates in a Cu matrix, the results were interpreted by comparison with the behavior of copper (OFHC) and 'NARloy-Z' (a rival candidate material for thrust cell liner applications in advanced rocket engines) under the same conditions. While NARloy-Z and Cu exhibited identical oxidation behavior, Cu-8Cr-4Nb differed markedly in several respects: below approx. 700 C its oxidation rates were significantly lower than those of Cu; At higher temperatures its oxidation rates fell into two categories: an initial rate exceeding that of Cu, and a terminal rate comparable to that of Cu. Differences in oxide morphologies paralleled the kinetic differences at higher temperature: While NARloy-Z and Cu produced a uniform oxide scale of Cu2O inner layer and CuO outer layer, the inner (Cu2O) layer on Cu-8Cr-4Nb was stratified, with a highly porous/spongy inner stratum (responsible for the fast initial kinetics) and a dense/blocky outer stratum (corresponding to the slow terminal kinetics). Single and spinel oxides of Nb and Cr were found at the interface between the oxide scale and Cu-8Cr-4Nb substrate and it appears that these oxides were responsible for its suppressed oxidation rates at the intermediate temperatures. No difference was found between Cu-8Cr-4Nb oxidation in air and in oxygen at 1.0 atm.

Thomas-Ogbuji, L. U.↗
NASA NTRS2023

A Review on the Coalescence of Confined Drops with a Focus on Scaling Laws for the Growth of the Liquid Bridge

The surface–tension-driven coalescence of drops has been extensively studied because of the omnipresence of the phenomenon and its significance in various natural and engineering systems. When two drops come into contact, a liquid bridge is formed between them and then grows in its lateral dimensions. As a result, the two drops merge to become a bigger drop. The growth dynamics of the bridge are governed by a balance between the driving force and the viscous and inertial resistances of involved liquids, and it is usually represented by power–law scaling relations on the temporal evolution of the bridge dimension. Such scaling laws have been well-characterized for the coalescence of unconfined or freely suspended drops. However, drops are often confined by solid or liquid surfaces and thus are a different shape from spheres, which affects their coalescence dynamics. As such, the coalescence of confined drops poses more complicated interfacial fluid dynamics challenges compared to that of unconfined drops. Although there have been several studies on the coalescence of confined drops, they have not been systematically reviewed in terms of the properties and geometry of the confining surface. Thus, we aim to review the current literature on the coalescence of confined drops in three categories: drop coalescence on a solid surface, drop coalescence on a deformable surface, and drop coalescence between two parallel surfaces with a small gap (i.e., Hele-Shaw cell), with a focus on power–law scaling relations, and to suggest challenges and outlooks for future research on the phenomena.

Sangjin Ryu↗
NASA NTRS1991

Study and Development of an Air Conditioning System Operating on a Magnetic Heat Pump Cycle

This report describes the design of a laboratory scale demonstration prototype of an air conditioning system operating on a magnetic heat pump cycle. Design parameters were selected through studies performed by a Kennedy Space Center (KSC) System Simulation Computer Model. The heat pump consists of a rotor turning through four magnetic fields that are created by permanent magnets. Gadolinium was selected as the working material for this demonstration prototype. The rotor was designed to be constructed of flat parallel disks of gadolinium with very little space in between. The rotor rotates in an aluminum housing. The laboratory scale demonstration prototype is designed to provide a theoretical Carnot Cycle efficiency of 62 percent and a Coefficient of Performance of 16.55.

Wang, Pao-Lien↗
DOE OSTI2024

A High-Performance Discrete-Element Framework for Simulating Flow and Jamming of Moisture Bearing Biomass Feedstocks

We developed and verified a high-performance open-source discrete element method (DEM) solver with simultaneously-supported feedstock-specific interaction models, including bonded-sphere, liquid bridge, cohesion, and non-linear contact models. Our solver uses parallel data structures on hybrid central and graphics processing unit (CPU/GPU) architectures, with favorable strong scaling performance observed for large problem sizes comprised of (100 M particles), and 4X single-node GPU speedup. The particles for corn stover feedstock were conceptualized and calibrated based on experimental measurements and results. Sensitivity analyses demonstrate that the mass flow rate from a wedge hopper is governed primarily by moisture content, friction coefficient, and cohesion energy density. The model is used to reproduce experimentally observed hopper jamming results, highlighting that the experimental no-flow trends can only be achieved by using non-spherical particles, liquid bridge and cohesion models, highlighting the importance of using concurrent feedstock specialized models for the effective representation of biomass material handling problems.

bioenergy↗
DOE OSTI2026

Multimodal Nanoscale Mapping of Local Structure and CO 2 Adsorption in Metal–Organic Frameworks

Diamine functionalization of the metal−organic framework Mg 2 (dobpdc) (dobpdc 4− = 4,4′-dioxidobiphenyl-3,3′-dicarboxylate) significantly enhances its selectivity for CO 2 capture from flue gases and air. The structure and CO 2 capacity of such materials are typically assessed using bulk techniques that rely on averaging signal over large ensembles of unit cells, obscuring local heterogeneities, such as variations in CO 2 occupancy across individual nanocrystals. To resolve this limitation, we demonstrate a multimodal, nanoscale characterization of Mg 2 (dobpdc) appended with 1,3-diaminopropane. By employing recently developed characterization techniques at progressively smaller length scales, we uncover insights from correspondingly smaller populations of unit cells. First, we use parallel-beam 3D electron diffraction (3D ED) to identify a prominent expansion in lattice parameters upon desorption of CO 2 , as observed at the level of single nanocrystals. Second, we use convergent-probe 4D scanning transmission electron microscopy (4D-STEM) to quantify associated differences in lattice strain as a function of gas loading and diamine appending. These measurements sample small subvolumes within individual nanocrystals. Finally, we apply infrared scattering scanning near-field optical microscopy (IR s- SNOM) to confirm variable CO 2 chemisorption across adsorption sites at the surface of single nanocrystals. This multimodal, multiscale approach allows us to map heterogeneity within individual nanocrystals. Collectively, these findings emphasize the importance of local, nanoscale characterization of metal−organic frameworks in revealing previously unresolvable features that impact their performance.

Karstens, Sarah L. [University of California, Berk↗
DOE OSTI2019

A computational model for exploring particle acceleration during reconnection in macroscale systems

A new computational model suitable for exploring the self-consistent production of energetic electrons during magnetic reconnection in macroscale systems is presented. The equations are based on the recent discovery that parallel electric fields are ineffective drivers of energetic particles during reconnection so that the kinetic scales which control the development of such fields can be ordered out of the equations. The resulting equations consist of a magnetohydrodynamic (MHD) backbone with the energetic component represented by macro-particles described by the guiding center equations. Crucially, the energetic component feeds back on the MHD equations so that the total energy of the MHD fluid and the energetic particles is conserved. The equations correctly describe the firehose instability, whose dynamics plays a key role in throttling reconnection and in controlling the spectra of energetic particles. The results of early tests of the model, including the propagation of Alfvén waves in a system with pressure anisotropy and the growth of firehose modes, establish that the basic algorithm is stable and produces reliable physics results in preparation for further benchmarking with particle-in-cell models of reconnection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Nonlocal, diamagnetic electromagnetic effects in magnetically insulated transmission lines

We identify the time-dependent physics responsible for the critical reduction of current losses in magnetically insulated transmission lines (MITLs) due to uninsulated space charge-limited currents of electrons emitted by field stress. A drive current of sufficiently short pulse length introduces a strong enough time dependence that steady-state results alone become inadequate for the complete understanding of current losses. The time-dependent physics can be described as a nonlocal, diamagnetic electromagnetic response of space charge limited currents. As the pulse length is increased or equivalently, the MITL length reduced, these time-dependent effects diminish and current losses converge to those predicted by the well-known Child–Langmuir law in the external (vacuum) fields. We present a simple one-dimensional (1D) model that encapsulates the essence of this physics. We find excellent agreement with 2D particle-in-cell simulations for two MITL geometries, Cartesian parallel plate and azimuthally symmetric straight coaxial. Based on the 1D model, we explore various scaling dependencies of MITL losses with relevant parameters, e.g., peak current, pulse length, geometrical dimensions, etc. We propose an improved physics model of magnetic insulation in the form of a Hull curve, which could also help improve predictions of current losses by common circuit element codes, such as BERTHA. Finally, we describe how to calculate the temperature rise due to electron impact within the 1D model.

Computer simulation↗
DOE OSTI2017

Continuous, edge localized ion heating during non-solenoidal plasma startup and sustainment in a low aspect ratio tokamak

Plasmas in the Pegasus spherical tokamak are initiated and grown by the non-solenoidal local helicity injection (LHI) current drive technique. The LHI system consists of three adjacent electron current sources that inject multiple helical current filaments that can reconnect with each other. Anomalously high impurity ion temperatures are observed during LHI with T i,OV ≤ 650 eV, which is in contrast to T i,OV ≤ 70 eV from Ohmic heating alone. Spatial profiles of T i,OV indicate an edge localized heating source, with T i,OV ~ 650 eV near the outboard major radius of the injectors and dropping to ~150 eV near the plasma magnetic axis. Experiments without a background tokamak plasma indicate the ion heating results from magnetic reconnection between adjacent injected current filaments. In these experiments, the HeII T i perpendicular to the magnetic field is found to scale with the reconnecting field strength, local density, and guide field, while ${{T}_{\text{i},\parallel}}$ experiences little change, in agreement with two-fluid reconnection theory. In conclusion, this ion heating is not expected to significantly impact the LHI plasma performance in Pegasus, as it does not contribute significantly to the electron heating. However, estimates of the power transfer to the bulk ion are quite large, and thus LHI current drive provides an auxiliary ion heating mechanism to the tokamak plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Using the Stix finite element RF code to investigate operation optimization of the ICRF antenna on Alcator C-Mod

Abstract As the Ion Cyclotron Radio Frequency range (ICRF) heating becomes more favorable in fusion devices, the urgency of predicting and mitigating impurity generation that arises from it becomes more pressing. In the ICRF regime, rectified Radio Frequency (RF) sheaths are known to form at antenna and material edges that influence negative effects like sputtering and a decrease in heating efficiency. Methods to mitigate the formation of these RF sheaths through RF image currents cancellation have been experimentally studied. A power-phasing scan done on Alcator C-Mod in which the amount of power on the two inner straps ( P in ) versus the total 4 straps ( P tot ) was varied showed a minimization of enhanced potentials between P in / P tot ∼ 0.7–0.9 while impurities were minimized for P in / P tot ∼ 0.5–0.8. New capabilities in the realm of representing the RF sheath numerically now allow for these experiments to be simulated. Given the size of the sheath relative to the scale of the device, it can be approximated as a Boundary Condition (BC). A new parallelized cold-plasma wave equation solver called Stix implements a non-linear sheath impedance model BC formulated by Myra et al (2015 Phys. Plasmas 22 062507) through the method of finite elements using the MFEM library [ http://mfem.org ]. It is seen that Stix shows qualitative agreement with the measured C-Mod enhanced potentials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Spherical tokamak physics research in preparation for the operation of NSTX-U

The National Spherical Torus Experiment Upgrade (NSTX-U) is preparing to resume operation, representing a crucial step toward realizing compact, cost-effective fusion pilot plants. In advance of this, extensive modeling and data analysis have been conducted to advance the physics basis for low-aspect-ratio, high-performance plasma regimes, focusing on three core objectives: confinement and stability, power and particle handling, and steady-state operation. Significant progress has been made in understanding the electron temperature flattening in high-β plasmas, which is shown to be driven by a complex interplay of magnetohydrodynamic instabilities (e.g. non-resonant infernal modes), fast-ion-driven Alfvén eigenmodes, and electron and ion-scale micro-instabilities, particularly Kinetic Ballooning Modes (KBMs), whose destabilization is strongly dependent on parallel magnetic field fluctuations (δB ∥ ). Furthermore, a new gyrokinetic critical pedestal model was developed, accurately predicting pedestal structure by identifying KBMs as the primary stability limit, offering a critical constraint for future high-confinement scenarios. To address the challenge of high heat flux, novel liquid lithium plasma-facing components were modeled. The analysis confirmed that lithium vapor shielding is a self-regulating mechanism for heat mitigation, while also emphasizing that strong main ion parallel flow is essential to minimize core lithium contamination. Finally, progress toward steady-state operation was anchored by developing the required physics basis and control tools. This includes predictive modeling for reversed magnetic shear sustainment, demonstrating that magnetic island-induced bootstrap current reduction is negligible in STs, and advancing real-time control and disruption avoidance capabilities. The development of high-speed surrogate models (e.g. MMMNet) provides computationally efficient tools vital for non-inductive scenario optimization and integrated, low-disruptivity operations planned for NSTX-U.

NSTX-U↗
DOE OSTI2018

Optimal Black Start Allocation for Power System Restoration

Equipment failures, operator errors, natural disasters and cyber-attacks can and have caused extended blackouts of the electric grid. Even though such events are rare, preparedness for them is critical because extended power outages endanger human lives, compromise national security, or result in economic losses of billions of dollars. Since most of the generating units cannot restart without connecting to an energized grid, the system operator relies on a few units with the ability to start autonomously, called Black Start (BS) units, to restore the power system. Allocating and maintaining these units is costly and can severely impact the restoration security and time. We formulate an optimization problem to optimally allocate BS units in the grid, while simultaneously optimizing over the restoration sequence. We extend existing optimal allocation models by including grid considerations such as active power nodal balance, transmission switching, nodal reactive power support and voltage limits. In order to aid the branch and bound tree that solves the resulting large scale mixed integer program, we propose a randomized heuristic that is executed multiple times in parallel on a high-performance computing environment to find feasible solutions. Here, we proceed to solve the IEEE-39, the IEEE-118, and a simplified WECC system with 225 nodes and 136 generators to near optimality.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

symPACK v2.0

SymPACK is a parallel direct solver for sparse symmetric systems of linear equations. SymPACK is implemented for large- scale distributed-memory platforms. It employs several innovative ideas, including the use of an asynchronous task paradigm, one-sided communication, and dynamic scheduling.

Ng, EsmondG↗