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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

The Memory Scaling of Reverse-Mode Differentiation in Particle Accelerator Simulations with Space Charge

The recent development of differentiable simulation codes for particle accelerators has enabled gradient-based workflows that promise finer control and more realistic modeling of accelerator facilities. However, when using reverse-mode automatic differentiation, the memory usage continuously increases during the simulation, and can potentially exceed the available hardware memory - especially when costly space charge computation is included. To study the memory requirements for differentiable simulations, we have implemented space charge in Cheetah, a PyTorch-based beam tracking code that supports reverse-mode differentiation. We find that the memory usage for reverse-mode differentiation grows linearly with the number of macroparticles and cells, and that it is proportional to the number of space charge kicks involved in the simulation. This general scaling can be used to evaluate whether a given differentiable simulation is feasible given hardware memory constraints.

Dhamrait, Arjun↗
DOE OSTI2020

Consistent Space Runtime (CSPACER) v1.0

This software provides a runtime for communication-bound applications, especially with irregular communication patterns. The target programming abstraction for the runtime is the space consistency model, which defines consistency guarantees at the granularity of memory spaces. This model has relaxed consistency semantics that enables a wide range of runtime optimizations. The runtime leverages threading to accelerate communication primitives, especially collective operations. It also allows efficient pipelining of communication operations and enable constructing a consistent state of multiple unordered communication activities targeting a memory space. The runtime uses a reduced API design that decomposes complex communication primitives in traditional general-purpose runtime into a sequence of simpler steps. To improve the productivity of using this runtime, we provide communication patterns commonly used for regular scientific computing applications and irregular data analytics. These communication patterns offer skeletons for the integration with application computation to allow efficient overlap.

Ibrahim, Khaled↗
DOE OSTI2023

Code for the manuscript titled "Blackout Diffusion: Generative Diffusion Models in Discrete-State Spaces"

We would like to disclose two scripts, written in Jupyter notebook, in which we implement the "Blackout Diffusion Process" described in the manuscript "Blackout Diffusion: Generative Diffusion Models in Discrete-State Spaces" (LA-UR-23-20509), to be submitted to the International Conference of Machine Learning (ICML). The abstract of the manuscript is append below. == Typical generative diffusion models rely on a Gaussian diffusion process for training the backward transformations, which can then be used generate samples from Gaussian noise. However, real world data often takes place in discrete-state spaces, which occur in many scientific applications. Here, we develop a theoretical formulation for arbitrary discrete-state Markov processes in the forward diffusion process. We relate the theory to the existing continuous-state Gaussian diffusion and identify the corresponding reverse-time stochastic process and score function in the continuous-time setting, and the reverse-time mapping in the discrete-time setting. As an example of this framework, we introduce "Blackout Diffusion", which learns to produce samples from an empty image instead of from noise. Numerical experiments on the CIFAR-10 dataset confirm the feasibility of generative diffusion modeling in a discrete space. Generalizing from specific (Gaussian) forward processes to a more general framework also sheds light on how to interpret generative diffusion models and their mathematical structure, which we comment on.

Lin, Yen Ting↗
DOE OSTI2023

Graph Learning in Physical-informed Mesh-reduced Space for Real-world Dynamic Systems

This Git repository contains codes for the 'Graph Learning in Physical-informed Mesh-reduced Space for Real-world Dynamic Systems' paper that will be published in 2023 SIGKDD. This work uses physical-informed prior (PiP) information to learn and predict fluid dynamics in a reduced mesh space. We propose a two-stage graph-based model for fluid velocity field reconstruction and prediction. In the first stage, we learn a subgraph autoencoder to summarize the information in a mesh-reduced space using physical-informed priors. In the second stage, we learn a dynamics predictor to predict subgraph evolution. We demonstrate the effectiveness of our model on two fluid flow datasets: lid-driven cavity flow data and cylinder flow data. This code is also applicable for any other dynamic systems with corresponding data.

Lei, Bo↗
DOE OSTI2025

RENEWABLE MARINE-SOURCE INTEGRATED HEAT PUMP FOR SPACE CONDITIONING, WATER HEATING, AND FRESH WATER HARVESTING IN REMOTE COASTAL AND ISLAND COMMUNITIES

US coastal and island communities have vulnerable energy infrastructure and high energy costs, which are exacerbated by climate change. A unique opportunity exists to use thermal energy from year-round mild temperature variations to satisfy the broad energy needs of these communities. The US Department of Energy’s Oak Ridge National Laboratory designed a small-scale marine-source integrated heat pump (MS-IHP) that, as a single appliance, combines space conditioning, dehumidification (including fresh water harvesting from humid air), and water heating for home and commercial building applications in remote coastal and island communities. The unique, innovative features of the MS-IHP offer improved efficiency and substantially reduced costs for space conditioning, dehumidification, and water heating by seamlessly integrating a heat pump, heat pump water heater, and dehumidifier by using a single compressor; optimal year-round space cooling and heating, dehumidification, water harvesting, and water heating; and improved thermal comfort and reliable operation without frosting and defrosting because of the ocean’s warm temperatures and high heat capacity. Preliminary testing was conducted by retrofitting a commercial heat pump, demonstrating an outperformed performance compared with traditional air-source heat pumps. The MS-IHP technology can help decarbonize energy systems in remote coastal and island communities.

Gao, Zhiming [ORNL] (ORCID:0000000271397995)↗
DOE OSTI2024

Towards large phase space beams at the CEBAF injector

We report on the status of a degrader device to generate large phase space beams for machine acceptance studies in the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Lab. The degrader device consists of thin, low-Z targets to degrade the electron beam phase space through multiple scattering, two apertures to define the maximum transverse emittance, and a solenoid to aid in matching to the rest of the injector beamline. The engineering design of the degrader device and projected degraded beam phase space parameters are presented.

Sy, A.↗
DOE OSTI2025

Injection simulations of space charge dominated proton beams in IOTA

A 2.5 MeV proton injector is being constructed for the IOTA ring at Fermilab to study the interaction of nonlinear integrable optics (NIO) with high space charge beams. Space charge in the transport line from the RFQ to the injection location has a significant current dependent effect on the phase space. Simulation studies to support efficient injection of intense bunches into IOTA are presented, included schemes to inject directly into NIO lattices.

Accelerator Physics↗
DOE OSTI2026

Space charge studies on strong hadron cooler energy recovery linac

An Energy Recovery Linac (ERL) based cooler, using Coherent electron Cooling (CeC) is being designed for cooling hadron beams of the Electron-Ion Collider (EIC). The ERL design utilizes highcurrent, high-brightness electron beams with low emittance and a uniform longitudinal distribution for efficient hadron cooling. This is designed to operate in two modes to accommodate cooling requirements for hadron bunches at 100 GeV and 275 GeV, each with an average current of 100 mA and 1 nC bunch charge. With these parameters, the space charge effects become significant in this ERL design due to the low beam energy and high beam current. In this paper, we discuss strategies for including space charge effects in the optics design and implementation of an interface for space charge dominated and non-dominated regions of this ERL lattice.

Accelerator Physics↗
DOE OSTI2025

High-dimensional maximum-entropy phase space tomography

Reconstructing 4D or 6D phase space distributions from 1D or 2D measurements is a challenging inverse problem encountered in particle accelerators. Entropy maximization is an established method to incorporate prior information in the reconstruction, but it is typically infeasible in high-dimensional spaces. In this paper, I review two recent approaches to high-dimensional entropy maximization. The first approach utilizes differentiable simulations and a class of generative models known as normalizing flows, whereas the second approach employs the method of Lagrange multipliers and Markov Chain Monte Carlo (MCMC) sampling. My aim is to provide a short explanation of each method using a common notation. I conclude by mentioning several unsolved problems in phase space tomography.

Hoover, Austin [ORNL] (ORCID:0000000153136962)↗
DOE OSTI2022

Twistor space origins of the Newman-Penrose map

Recently, we introduced the “Newman-Penrose map”, a novel correspondence between a certain class of solutions of Einstein’s equations and self-dual solutions of the vacuum Maxwell equations, which we showed was closely related to the classical double copy. Here, we give an alternative definition of this correspondence in terms of quantities that are defined naturally on twistor space, and a shear-free null geodesic congruence on Minkowski space whose twistorial character is articulated by the Kerr theorem. The advantage of this reformulation is that it is purely geometrical in nature, being manifestly invariant under both spacetime diffeomorphisms and projective transformations on twistor space. While the original formulation of the map may be more convenient for most explicit calculations, the twistorial formulation we present here may be of greater theoretical utility.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

An Approach to High-Performance Affordable Housing Using Point-Source Space Conditioning

This project explored the use of minisplit ductless heat pumps in combination with small through-wall transfer fans to provide space conditioning in small single-story homes, including manufactured homes and homes built by Habitat for Humanity. The objectives were to reduce space-conditioning energy consumption by 50% compared to the 2009 International Energy Conservation Code (ICC 2009) while maintaining home affordability and thermal comfort. The strategy to achieve this goal also included a highly efficient thermal envelope to reduce space-conditioning loads.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Orbital ring and Dyson sphere from recycled space debris

Existing materials are sufficiently strong for space elevators which anchor at an orbital ring or a Dyson sphere in the Low Earth Orbits(LEO).Based on recycled space debris, an orbital ring ora Dyson sphere also brings benefits to the climate and energy shortage problems, in addition to the primary purpose of colonization of space and other planets in the solar system.

42 ENGINEERING↗
DOE OSTI2021

Design and Performance of Kokkos Staging Space toward Scalable Resilient Application Couplings

With the growing number of applications designed for heterogeneous HPC devices, application programmers and users are finding it challenging to compose scalable workflows as ensembles of these applications, that are portable, performant and resilient. The Kokkos C++ library has been designed to simplify this cumbersome procedure by providing an intra-application uniform programming model and portable performance. However, assembling multiple Kokkos-enabled applications into a complex workflow is still a challenge. Although Kokkos enables a uniform programming model, the inter-application data exchange still remains a challenge from both performance and software development cost perspectives. In order to address this issue, we propose Kokkos data staging memory space, an extension of Kokkos' data abstraction (memory space) for heterogeneous computing systems. This new abstraction allows to express data on a virtual shared-space for multiple Kokkos applications, thus extending Kokkos to support inter-application data exchange to build an efficient application workflow. Additionally, we study the effectiveness of asynchronous data layout conversions for applications requiring different memory access patterns for the shared data. Our preliminary evaluation with a synthetic benchmark indicate the effectiveness of this conversion adapted to three different scenarios representing access frequency and use patterns of the shared data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Engineering Space Mission Support at Los Alamos National Laboratory [Slides]

This talk focuses on engineering space mission support at Los Alamos National Laboratory (LANL). In many cases, LANL is one of many participants on a particular space mission. There are many other space activities at institutions and government agencies worldwide, some of which are closely related to the ones describe in this talk.

42 ENGINEERING↗
DOE OSTI2022

Imaging Wavepackets in Real-Space & Disentangling Ultrafast Solvation Dynamics with High-Energy Ultrafast X-ray Scattering

The microscopic information of solute and solute-solvent motions can be measured using ultrafast diffuse x-ray scattering, and compared to molecular dynamics simulations, as demonstrated in studies of solvated molecular systems done in X-ray free-electron lasers. However, for the typical photon energies used in these experiments, the photon momentum transfer range was limited to lower Q values where the signals arising from different parts of the studied system overlap significantly. Recently, this limitation was greatly alleviated by extending the photon energy at the Linac Coherent Light-Source (LCLS), significantly increasing the accessible momentum transfer range. This improvement is transformative for ultrafast diffuse x-ray scattering measurements, enabling for the first time to disentangle the solute scattering difference signal, that persists to higher Q values, from the bulk solvent and solute-solvent cross-terms difference signals. In addition, it enhances the prediction ability of modeling and simulation methods such as the hybrid QM/MM approach. The extended Q range also opens the way to resolve in real-space details regarding coherent wavepackets motions beyond their center-of-mass positions. Here, we present the first results on high-energy (18keV) diffuse x-ray scattering in solution, demonstrating high fidelity time-resolved scattering and analysis of the photoexcited model photocatalysts PtPOP ([Pt2(POP)4]4-), and IrDimen ([Ir2(dimen)4]2+) in several solvents. These complexes provide ideal systems for demonstrating the ability of high-Q ultrafast scattering and QM/MM simulations to decompose ultrafast solvation dynamics into specific changes in the solute-solvent pair distribution function with a particular focus on how electronically excited states change the interaction between the solvent and photo-catalytically active metal sites. We introduce an approach to further utilize the high-energy capability and demonstrate a single-shot ultra-wide-angle X-ray Scattering modality using two perpendicular detectors, spanning a scattering angle range of more than 100 degrees, allowing to extend the accessible momentum transfer range up to Q~14 Å-1. We develop a model-free method to invert the x-ray scattering signals and enable the recovery of multiple pair-density motions that happen simultaneously, allowing us to directly measure in real-space nuclear wavepacket motions. . [1] Natan, Adi. "Real-Space Inversion and Super-Resolution of Ultrafast X-ray Scattering using Natural Scattering Kernels." arXiv preprint arXiv:2107.05576 (2021)

Natan, Adi↗
DOE OSTI2022

Combining DPG in space with DPG time-marching scheme for the transient advection-reaction equation

In this article, we present a general methodology to combine the Discontinuous PetrovGalerkin (DPG) method in space and time in the context of methods of lines for transient advection-reaction problems. We first introduce a semidiscretization in space with a DPG method redefining the ideas of optimal testing and practicality of the method in this context. Then, we apply the recently developed DPG-based time-marching scheme, which is of exponential-type, to the resulting system of Ordinary Differential Equations (ODEs). We also discuss how to efficiently compute the action of the exponential of the matrix coming from the space semidiscretization without assembling the full matrix. Finally, we verify the proposed method for 1D+time advection-reaction problems showing optimal convergence rates for smooth solutions and more stable results for linear conservation laws comparing to the classical exponential integrators.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Completion of initial reduced-order model for flammable refrigerant dispersal in residential spaces

Environmental regulations aimed at reducing global warming impacts of HVAC&R refrigerants have resulted in the phase-out of chlorofluorocarbons (CFCs) in 2010 and hydrochlorofluorocarbons (HCFCs) by 2030 in developed countries with additional restrictions on the use of hydrofluorocarbons (HFCs) set to take effect in 2036. Many of the remaining alternative refrigerants that have lower global warming potential (GWP) and that are suitable for use in HVAC&R systems (e.g., propane, difluoromethane) are flammable to some degree. Flammable refrigerants introduce new challenges and hazards to property and personal safety related to potential deflagration during system maintenance or due to leakage of the refrigerant accumulating in the conditioned space. Standards have been developed to set maximum charge limits for flammable refrigerants in HVAC&R systems; however, existing safety standards and codes still restrict their use. The bodies that maintain and update these codes need publicly available, science-based information to enable credible guidelines for setting safe charge limits for different flammable refrigerants in different HVAC&R applications. In 2016, the Alliance for Responsible Atmospheric Policy, the Air-Conditioning Heating and Refrigeration Institute (AHRI), ASHRAE, the U.S. Department of Energy (DOE), and the State of California began efforts to develop such information. As part of this effort, Oak Ridge National Laboratory (ORNL) began the current, ongoing project to examine imposed charge limits for flammable refrigerants and identify reasonable adjustments to these limits when found appropriate. Past tasks under this project have included development of experimentally vetted, computational fluid dynamics (CFD) simulation approaches to study the results of leakage of flammable refrigerants from various HVAC&R systems into different types of commercial and residential spaces. In this report, we discuss recent efforts to develop a predictive model of the flammable volume fraction and accumulated refrigerant mass in a single-room residential space resulting from the leak of a flammable refrigerant from a small room air conditioning (RAC) unit. The eventual goal is development of a model suitable for public release which could simulate a range of scenarios. In discussions with the AHRTI Flammable Refrigerant Subcommittee (FRS) at the beginning of this effort, a total of 9 input parameters were chosen for consideration including room area, room/door opening area, ventilation fan flow rate, unit/leak height, leak area, leak rate, total refrigerant charge, refrigerant molecular weight, and state of the unit fan.

42 ENGINEERING↗
DOE OSTI2024

Experiments on Electron Cooling and Intense Space-Charge at IOTA

The Integrable Optics Test Accelerator at Fermilab will explore beam dynamics in a ring with intense space-charge using 2.5~MeV proton beams with an incoherent tune shift approaching -0.5. We will use this machine to explore the interplay between electron cooling, intense space-charge, and coherent instabilities. In this contribution, we describe the machine setup including the design of the electron cooler and the lattice, list specific experiments and discuss the results of numerical simulations which include the effects of electron cooling and transverse space-charge forces.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗