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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Roadmap for transforming heterogeneous catalysis with artificial intelligence

Artificial intelligence (AI) is poised to transform heterogeneous catalysis, opening avenues for catalytic materials discovery. By uncovering intricate patterns in high-dimensional data, AI has been reshaping our pursuit of sustainable catalytic processes across the energy, environmental and chemical sectors. This promise, however, hinges on overcoming fundamental barriers, including limitations in data availability and quality, challenges in the generalizability and interpretability of data-augmented decisions, and the persistent gap between in silico predictions and experiments. Furthermore, we outline a forward-looking roadmap for deeply integrating AI into heterogeneous catalysis with an AI-ready data ecosystem, multimodal foundation models, and ultimately autonomous laboratories to accelerate the development of next-generation catalytic technologies via AI-empowered human–machine collaboration.

Computational methods↗
DOE OSTI2020

ServiceX A Distributed, Caching, Columnar Data Delivery Service

We will describe a component of the Intelligent Data Delivery Service being developed in collaboration with IRIS-HEP and the LHC experiments. ServiceX is an experiment-agnostic service to enable on-demand data delivery specifically tailored for nearly-interactive vectorized analysis. This work is motivated by the data engineering challenges posed by HL-LHC data volumes and the increasing popularity of python and Spark-based analysis workflows.ServiceX gives analyzers the ability to query events by dataset metadata. It uses containerized transformations to extract just the data required for the analysis. This operation is colocated with the data to avoid transferring unnecessary branches over the WAN. Simple filtering operations are supported to further reduce the amount of data transferred.Transformed events are cached in a columnar datastore to accelerate delivery of subsequent similar requests. ServiceX will learn commonly related columns and automatically include them in the transformation to increase the potential for cache hits by other users.Selected events are streamed to the analysis system using an efficient wire protocol that can be readily consumed by a variety of computational frameworks. This reduces time-to-insight for physics analysis by delegating to ServiceX the complexity of event selection, slimming, reformatting, and streaming.

Galewsky, B.↗
DOE OSTI2024

Study of ablation and shock generation across three orders of magnitude of laser intensity with 100 ps laser pulses

The laser ablation and subsequent shock generation in solid targets plays an important role in a variety of research topics from equation of state models for materials to inertial confinement fusion. One of the long-standing issues is the knowledge of ablation depth in the picosecond time regime. Here, we report on a direct technique for determining the ablation depth in aluminum using x-ray diffraction data from Linac Coherent Light Source at the Stanford Linear Accelerator Center. This technique gives a direct measurement of the shock wave propagation in the bulk target, enabling an ability to discern early timescale physics from late timescale effects not available in postmortem analysis. We find that the ablation depths only vary by 0.2 μm across three orders of magnitude of laser intensity, while the pressure increased by a factor of 10 following a square root dependence on laser pulse energy. We further observe that the ablation depth in this intensity range (10 11 –10 13 W/cm 2 in intensity, corresponding to 0.8–80 J/cm 2 in fluence) cannot be modeled by a universal scaling law, given the complexity of the mechanisms governing laser ablation in this intensity regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Development of a strip-shaped X-ray mapping system for 9-cell superconducting cavities

Electrons emitted via field emission during superconducting (SC) radio-frequency (RF) cavity tests at vertical test stands often collide with the iris region inside the cavity, generating X-rays at these locations. In 1.3 GHz 9-cell SC RF cavities designed for the International Linear Collider (ILC), stiffener rings located outside the iris region between cells can interfere with X-ray detection, complicating the precise identification of field emission sites. Hence, in this study, we developed a high-density strip X-ray mapping systems (sX-map) that can be inserted into the iris region of ILC-type 9-cell SC RF cavities. This sX-map facilitates efficient and accurate detection of X-rays generated near the irises, unaffected by the presence of stiffener rings. The sX-map consisted of 32 sensors per strip, with sensors spaced approximately 10 mm apart. It was deployed in every iris of the 9-cell cavity, using a total of 320 sensors. A multiplexer was employed to facilitate the readout of a large number of detectors using a minimal number of signal lines, connecting the strips inside within the vertical test cryostat. In a vertical test conducted at Jefferson Lab (JLab), we demonstrated the capability of sX-map to detect X-rays despite the presence of a stiffener ring. This paper presents the detailed design of the sX-map and the results from the vertical test at JLab.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Searches for beyond-Riemann gravity

Many effective field theories describing gravity cannot arise from an underlying theory based on Riemann geometry or its extensions to include torsion and nonmetricity but may instead emerge from another geometry or may have a nongeometric basis. The Lagrange density for a broad class of such theories is investigated. The action for fermions coupled to gravity is linearized about a Minkowski background and is found to include terms describing small deviations from Lorentz invariance and gravitational gauge invariance. The corresponding nonrelativistic hamiltonian is derived at second order in the fermion momentum. The implications for laboratory experiments and astrophysical observations with fermions are studied, with primary focus on anomalous spin-gravity couplings. First constraints on some coefficients are extracted from existing data obtained via measurements at different potentials, comparisons of gravitational accelerations, interferometric methods, and investigations of gravitational bound states. As a result, some prospects for future experimental studies are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

First Global Extraction of Generalized Parton Distributions from Experiment and Lattice Data with Next-to-Leading-Order Accuracy

We report the first global extraction of generalized parton distributions, GUMP 1.0, by combining deeply virtual Compton scattering and 𝜌-meson production data from Jefferson Lab and the Hadron-Electron Ring Accelerator with global fits of parton distribution functions, charge form factors, and lattice quantum chromodynamics simulations. Using a conformal moment space parametrization, we achieve a unified description across low- and high-𝑥 regions at next to leading order accuracy in perturbative corrections. The results provide state-of-the-art generalized parton distributions consistent with almost all known facts, enabling three-dimensional nucleon imaging in impact parameter space and, at the same time, establishing a benchmark for future theoretical and experimental studies of the nucleon structure.

Form factors↗
DOE OSTI2020

Multigrid Optimization for Large-Scale Ptychographic Phase Retrieval

Ptychography is a popular imaging technique that combines diffractive imaging with scanning microscopy. The technique consists of a coherent beam that is scanned across an object in a series of overlapping positions, leading to reliable and improved reconstructions. Ptychographic microscopes allow for large fields to be imaged at high resolution at the cost of additional computational expense. Herein, we propose a multigrid-based optimization framework to reduce the computational burdens of large-scale ptychographic phase retrieval. Our proposed method exploits the inherent hierarchical structures in ptychography through tailored restriction and prolongation operators for the object and data domains. Our numerical results show that our proposed scheme accelerates the convergence of its underlying solver and outperforms the ptychographical iterative engine, a workhorse in the optics community.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

DDCP framework

DDCP protocol software 1.0 This repository contains the C++ implementation of version 1.x of the Distributed Data Communications Protocol (DDCP). DDCP provides request/reply, feature discovery, data transfer, control, interrupt, and transaction support for communicating with accelerator instrumentation over UDP. The standard server port is 65000. The framework is a source dependency for services that communicate directly with DDCP hardware. It is not a deployable service by itself.

Joshi, Shreya [Fermi National Accelerator Laborato↗
DOE OSTI2021

Unprecedented cloud resolution in a GPU-enabled full-physics atmospheric climate simulation on OLCF’s summit supercomputer

Clouds represent a key uncertainty in future climate projection. While explicit cloud resolution remains beyond our computational grasp for global climate, we can incorporate important cloud effects through a computational middle ground called the Multi-scale Modeling Framework (MMF), also known as Super Parameterization. This algorithmic approach embeds high-resolution Cloud Resolving Models (CRMs) to represent moist convective processes within each grid column in a Global Climate Model (GCM). The MMF code requires no parallel data transfers and provides a self-contained target for acceleration. This study investigates the performance of the Energy Exascale Earth System Model-MMF (E3SM-MMF) code on the OLCF Summit supercomputer at an unprecedented scale of simulation. Hundreds of kernels in the roughly 10K lines of code in the E3SM-MMF CRM were ported to GPUs with OpenACC directives. A high-resolution benchmark using 4600 nodes on Summit demonstrates the computational capability of the GPU-enabled E3SM-MMF code in a full physics climate simulation.

58 GEOSCIENCES↗
DOE OSTI2022

Construction and characterization of a genome-scale ordered mutant collection of Bacteroides thetaiotaomicron

Ordered transposon-insertion collections, in which specific transposon-insertion mutants are stored as monocultures in a genome-scale collection, represent a promising tool for genetic dissection of human gut microbiota members. However, publicly available collections are scarce and the construction methodology remains in early stages of development. Here, we describe the assembly of a genome-scale ordered collection of transposon-insertion mutants in the model gut anaerobe Bacteroides thetaiotaomicron VPI-5482 that we created as a resource for the research community. We used flow cytometry to sort single cells from a pooled library, located mutants within this initial progenitor collection by applying a pooling strategy with barcode sequencing, and re-arrayed specific mutants to create a condensed collection with single-insertion strains covering >2500 genes. To demonstrate the potential of the condensed collection for phenotypic screening, we analyzed growth dynamics and cell morphology. We identified both growth defects and altered cell shape in mutants disrupting sphingolipid synthesis and thiamine scavenging. Finally, we analyzed the process of assembling the B. theta condensed collection to identify inefficiencies that limited coverage. We demonstrate as part of this analysis that the process of assembling an ordered collection can be accurately modeled using barcode sequencing data. We expect that utilization of this ordered collection will accelerate research into B. theta physiology and that lessons learned while assembling the collection will inform future efforts to assemble ordered mutant collections for an increasing number of gut microbiota members.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

TF07 Snowmass Report: Theory of Collider Phenomena

Theoretical research has long played an essential role in interpreting data from high-energy particle colliders and motivating new accelerators to advance the energy and precision frontiers. Collider phenomenology is an essential interface between theoretical models and experimental observations, since theoretical studies inspire experimental analyses while experimental results sharpen theoretical ideas. This report -- from the Snowmass 2021 Theory Frontier topical group for Collider Phenomenology (TF07) -- showcases the dynamism, engagement, and motivations of collider phenomenologists by exposing selected exciting new directions and establishing key connections between cutting-edge theoretical advances and current and future experimental opportunities. By investing in collider phenomenology, the high-energy physics community can help ensure that theoretical advances are translated into concrete tools that enable and enhance current and future experiments, and in turn, experimental results feed into a more complete theoretical understanding and motivate new questions and explorations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

BeyondFingerprinting: AI-guided discovery of robust materials & processes

BeyondFingerprinting was a 2021-2024 Sandia Grand Challenge LDRD exploring the potential to develop new resilient materials and manufacturing processes by taking an artificial-intelligence (AI)-guided approach that integrates human-subject-matter expertise with algorithms enriched with physics-based constraints to unearth process-structure-property correlations. Such algorithms, trained on high-throughput experiments and simulations, are shown to serve as surrogate models that efficiently detect key “fingerprints” in materials data, prognose material performance, and guide effective process improvements. To accelerate broader adoption across mission areas, this AI-guided approach was demonstrated with three complex process-centric exemplars: electroplating, physical vapor deposition, and laser powder bed fusion. Together, these exemplars impact nearly every hardware component relevant to DOE and NNSA national security missions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Demonstrating UPC++/Kokkos Interoperability in a Heat Conduction Simulation (Extended Abstract)

We describe the replacement of MPI with UPC++ in an existing Kokkos code that simulates heat conduction within a rectangular 3D object, as well as an analysis of the new code’s performance on CUDA accelerators. The key challenges were packing the halos in Kokkos data structures in a way that allowed for UPC++ remote memory access, and streamlining synchronization costs. Additional UPC++ abstractions used included global pointers, distributed objects, remote procedure calls, and futures. We also make use of the device allocator concept to facilitate data management in memory with unique properties, such as GPUs. Our results demonstrate that despite the algorithm’s good semantic match to message passing abstractions, straightforward modifications to use UPC++ communication deliver vastly improved performance and scalability in the common case. We find the one-sided UPC++ version written in a natural way exhibits good performance, whereas the message-passing version written in a straightforward way exhibits performance anomalies. We argue this represents a productivity benefit for one-sided communication models.

Waters, Daniel↗
DOE OSTI2023

Design Criteria for High-Gradient Radio-Frequency Linacs

This article will review methods used at the SLAC National Accelerator Laboratory and other world accelerator laboratories to design high-gradient normal conducting accelerating structures. A quest for compact radio-frequency linacs fueled decades of studies toward a higher accelerating gradient. A major phenomena limiting the increase of the gradient is vacuum radio-frequency breakdown; therefore, this paper will address the breakdown physics and discuss approaches that reduce the breakdown probability. This discussion will cover both the electrical design and fabrication technology of the accelerating structures to achieve practical operating accelerating gradients in excess of 100 MV/m. Most of the data described here were obtained during the development of 11 GHz linacs for electron–positron linear colliders, so extrapolation of the results to other frequencies should be performed cautiously.

Dolgashev, Valery A. (ORCID:0000000166715402)↗
DOE OSTI2022

TF07 Snowmass Report: Theory of Collider Phenomena

Theoretical research has long played an essential role in interpreting data from high-energy particle colliders and motivating new accelerators to advance the energy and precision frontiers. Collider phenomenology is an essential interface between theoretical models and experimental observations, since theoretical studies inspire experimental analyses while experimental results sharpen theoretical ideas. Here, this report -- from the Snowmass 2021 Theory Frontier topical group for Collider Phenomenology (TF07) -- showcases the dynamism, engagement, and motivations of collider phenomenologists by exposing selected exciting new directions and establishing key connections between cutting-edge theoretical advances and current and future experimental opportunities. By investing in collider phenomenology, the high-energy physics community can help ensure that theoretical advances are translated into concrete tools that enable and enhance current and future experiments, and in turn, experimental results feed into a more complete theoretical understanding and motivate new questions and explorations.

Maltoni, Fabio↗
NASA NTRS1972

Hydrogen film/conductive cooling

Small scale nozzle tests using heated nitrogen were run to obtain effectiveness and wall heat transfer data with hydrogen film cooling. Effectiveness data are compared with an entrainment model developed from planar, unaccelerated flow data. Results indicate significant effects due to flow turning and acceleration. With injection velocity effects accounted for explicitly, heat transfer correlation coefficients were found to be the same with and without film cooling when properties are evaluated at an appropriate reference temperature for the local gas composition defined by the coolant effectiveness. A design study for an O2/H2 application with 300 psia (207 N/sq cm) chamber pressure and 1500 lbs (6670 N) thrust indicates an adiabatic wall design requires 4 to 5 percent of the total flow as hydrogen film cooling. Internal regenerative cooling designs were found to offer no reduction in coolant requirements.

Ewen, R. L.↗