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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Gate-Based Quantum Simulation of Gaussian Bosonic Circuits on Exponentially Many Modes

We introduce a framework for simulating, on an ( n + 1 )-qubit quantum computer, the action of a Gaussian bosonic (GB) circuit on a state over 2 n modes. Specifically, we encode the initial bosonic state’s expectation values over quadrature operators (and their covariance matrix) as an input qubit state. This is then evolved by a quantum circuit that effectively implements the symplectic propagators induced by the GB gates. We find families of GB circuits and initial states leading to efficient quantum simulations. For this purpose, we introduce a dictionary that maps between GB and qubit gates such that particle- (non-particle-) preserving GB gates lead to real- (imaginary-) time evolutions at the qubit level. For the special case of particle-preserving circuits, we present a bounded-error-quantum-polynomial time (BQP)-complete GB decision problem, indicating that GB evolutions of Gaussian states on exponentially many modes are as powerful as universal quantum computers. We also perform numerical simulations of an interferometer on ∼ 8 × 10 9 modes, illustrating the power of our framework. Published by the American Physical Society 2025

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

A New Modeling Framework for Multi-Scale Simulation of Hydraulic Fracturing and Production from Unconventional Reservoirs

This paper describes a new modeling framework for microscopic to reservoir-scale simulations of hydraulic fracturing and production. The approach builds upon a fusion of two existing high-performance simulators for reservoir-scale behavior: the GEOS code for hydromechanical evolution during stimulation and the TOUGH+ code for multi-phase flow during production. The reservoir-scale simulations are informed by experimental and modeling studies at the laboratory scale to incorporate important micro-scale mechanical processes and chemical reactions occurring within the fractures, the shale matrix, and at the fracture-fluid interfaces. These processes include, among others, changes in stimulated fracture permeability as a result of proppant behavior rearrangement or embedment, or mineral scale precipitation within pores and microfractures, at µm to cm scales. In our new modeling framework, such micro-scale testing and modeling provides upscaled hydromechanical parameters for the reservoir scale models. We are currently testing the new modeling framework using field data and core samples from the Hydraulic Fracturing Field Test (HFTS), a recent field-based joint research experiment with intense monitoring of hydraulic fracturing and shale production in the Wolfcamp Formation in the Permian Basin (USA). Below, we present our approach coupling the reservoir simulators GEOS and TOUGH+ informed by upscaled parameters from micro-scale experiments and modeling. We provide a brief overview of the HFTS and the available field data, and then discuss the ongoing application of our new workflow to the HFTS data set.

58 GEOSCIENCES↗
NASA NTRS1998

Numerical Simulation of Fluctuations Leading to Noise in a Flap-Edge Flowfield

In this paper we develop an approximate computational framework for simulation of the fluctuating flowfield associated with the complex vortex system seen at the side edge of a flap in a multi-element high-lift airfoil system. The eventual goal of these simulations is to provide an estimate of the spectral content of these fluctuations, in order that the spectrum of the noise generated by such flowfields may be estimated. Results from simulations utilizing this computational framework are shown.

Streett, C. L.↗
DOE OSTI2023

A conservative, interface-resolved, compressible framework for the modeling and simulation of liquid/gas phase change

This paper presents a method for simulating evaporation in a compressible, interface-resolved framework appropriate for modeling problems of engineering interest. In order to achieve robustness and broad applicability, the method has been designed to discretely enforce consistent mass and thermal energy transport at the phase interface, to globally conserve mass, momentum, and energy, and to be capable of modeling compressible and incompressible systems. Verification is performed via the Sod-shock test, one-dimensional heat conduction, evaporation from a planar interface, and evaporation of three-dimensional droplets. Convergence with increasing mesh resolution is demonstrated in all tested configurations, and conservation is maintained near machine precision for a translating droplet. Conservation and accurate phase change rates are preserved at the low numerical resolutions commonly encountered in engineering calculations. Following verification, the method is validated by comparison to an empirical correlation for evaporating droplets in high temperature crossflow, and the presentation concludes with the simulation of an iso-octane spray at conditions representative of gasoline direct injection. In conclusion, successful verification, validation, and demonstrated practical utility suggest the method to be an accurate, efficient, and robust approach for the study of phase change in engineering systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Profiling at Oliktok Point to Enhance Year of Polar Prediction Experiments (POPEYE) Science Plan

The arctic region is rapidly evolving, and enhanced predictive capabilities, for both weather and climate, are urgently required. Therefore, the international community has formulated plans for the execution of an extended period of focused observations and modeling of the arctic environment, dubbed the “Year of Polar Prediction” or YOPP. The YOPP will feature “special observing periods” (SOPs), with the first occurring in the spring of 2018, and a second during the late summer and early fall. This project deploys additional U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) facility resources to Oliktok Point, Alaska during the second three-month special observing period (1 July 2018-30 September 2018). These resources include additional radiosondes (1 more per day), ARM-operated unmanned aircraft (DH2) and ARM-operated tethered balloon systems (TBS). These instruments will conduct routine profiling activities over the course of the SOP to obtain measurements of atmospheric thermodynamic structure, cloud and precipitation properties, and aerosol properties, enhancing the measurements obtained from the third ARM Mobile Facility at Oliktok Point (AMF3). We anticipate that these measurements will be used for a variety of purposes, including: 1) to conduct detailed studies of arctic cloud and aerosol processes; 2) to inform YOPP modeling efforts through real-time availability for assimilation into operational and research analysis products; 3) to evaluate and improve retrieval algorithms involving ARM remote sensors; 4) to evaluate and improve a variety of modeling tools being used to forecast arctic weather and climate; and 5) to initialize and evaluate simulations associated with a potential arctic large-eddy simulation (LES) framework similar to the ongoing LES ARM Symbiotic Simulation and Observation (LASSO) project.

Arctic processes, Oliktok Point, Year of Polar Pre↗
DOE OSTI2020

SICOPOLIS-AD v1: an open-source adjoint modeling framework for ice sheet simulation enabled by the algorithmic differentiation tool OpenAD

We present a new capability of the ice sheet model SICOPOLIS that enables flexible adjoint code generation via source transformation using the open-source algorithmic differentiation (AD) tool OpenAD.The adjoint code enables efficient calculation of the sensitivities of a scalar-valued objective function or quantity of interest (QoI) to a range of important, often spatially varying and uncertain model input variables, including initial and boundary conditions, as well as model parameters.Compared to earlier work on the adjoint code generation of SICOPOLIS, our work makes several important advances:(i) it is embedded within the up-to-date trunk of the SICOPOLIS repository – accounting for 1.5 decades of code development and improvements – and is readily available to the wider community;(ii) the AD tool used, OpenAD, is an open-source tool;(iii) the adjoint code developed is applicable to both Greenland and Antarctica, including grounded ice as well as floating ice shelves, with an extended choice of thermodynamical representations.A number of code refactorization steps were required. They are discussed in detail in an Appendix as they hold lessons for the application of AD to legacy codes at large.As an example application, we examine the sensitivity of the total Antarctic Ice Sheet volume to changes in initial ice thickness, austral summer precipitation, and basal and surface temperatures across the ice sheet.Simulations of Antarctica with floating ice shelves show that over 100 years of simulation the sensitivity of total ice sheet volume to the initial ice thickness and precipitation is almost uniformly positive, while the sensitivities to surface and basal temperature are almost uniformly negative. Sensitivity to austral summer precipitation is largest on floating ice shelves from Queen Maud to Queen Mary Land. The largest sensitivity to initial ice thickness is at outlet glaciers around Antarctica. Comparison between total ice sheet volume sensitivities to surface and basal temperature shows that surface temperature sensitivities are higher broadly across the floating ice shelves, while basal temperature sensitivities are highest at the grounding lines of floating ice shelves and outlet glaciers. A uniformly perturbed region of East Antarctica reveals that, among the four control variables tested here, total ice sheet volume is the most sensitive to variations in austral summer precipitation as formulated in SICOPOLIS.Comparison between adjoint- and finite-difference-derived sensitivities shows good agreement, lending confidence that the AD tool is producing correct adjoint code.The new modeling infrastructure is freely available at http://www.sicopolis.net (last access: 2 April 2020) under the development trunk.

58 GEOSCIENCES↗
DOE OSTI2022

Less can be more: Insights on the role of electrode microstructure in redox flow batteries from two-dimensional direct numerical simulations

Understanding how to structure a porous electrode to facilitate fluid, mass, and charge transport is key to enhancing the performance of electrochemical devices, such as fuel cells, electrolyzers, and redox flow batteries (RFBs). Here, using a parallel computational framework, direct numerical simulations are carried out on idealized porous electrode microstructures for RFBs. Strategies to improve an electrode design starting from a regular lattice are explored. By introducing vacancies in the ordered arrangement, it is possible to achieve higher voltage efficiency at a given current density, thanks to improved mixing of reactive species, despite reducing the total reactive surface. Careful engineering of the location of vacancies, resulting in a density gradient, outperforms disordered configurations. Our simulation framework is a new tool to explore transport phenomena in RFBs, and our findings suggest new ways to design performant electrodes.

25 ENERGY STORAGE↗
NASA NTRS2018

Experimental Calibration of a Numerical Model of Prepreg Tack for Predicting AFP Process Related Defects

Wrinkles, puckers, and fiber bridging are among the major defects encountered in the Automated Fiber Placement (AFP) process, and are all different manifestations of fiber misalignment. The main driver for these defects are the residual stresses introduced in the tow during the deposition stage by the AFP head. In contrast, the tack between the deposited tape and the substrate is the resisting force against the formation of such defects. Tack may be defined as the ability of a material to form a bond immediately on contact with another surface. Tack is a very complex phenomenon that is influenced by a variety of process parameters including temperature, head pressure and speed, as well as degree of cure, moisture content, and surface roughness A physics-based modeling framework for simulation of tack was developed in this study that allows for prediction of tack response. The developed tack model is incorporated in the AFP placement modelling framework developed to simulate AFP defects.

Forghani, Alireza↗