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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

How Data Becomes Physics: Inside the RACF

The RHIC & ATLAS Computing Facility (RACF) at the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory sits at the center of a global computing network. It connects more than 2,500 researchers around the world with the data generated by millions of particle collisions taking place each second at Brookhaven Lab's Relativistic Heavy Ion Collider (RHIC, a DOE Office of Science User Facility for nuclear physics research), and the ATLAS experiment at the Large Hadron Collider in Europe. Watch this video to learn how the people and computing resources of the RACF serve these scientists to turn petabytes of raw data into physics discoveries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Intersystem crossing and exciton–defect coupling of spin defects in hexagonal boron nitride

Despite the recognition of two-dimensional (2D) systems as emerging and scalable host materials of single-photon emitters or spin qubits, the uncontrolled, and undetermined chemical nature of these quantum defects has been a roadblock to further development. Leveraging the design of extrinsic defects can circumvent these persistent issues and provide an ultimate solution. Here, we established a complete theoretical framework to accurately and systematically design quantum defects in wide-bandgap 2D systems. With this approach, essential static and dynamical properties are equally considered for spin qubit discovery. In particular, many-body interactions such as defect–exciton couplings are vital for describing excited state properties of defects in ultrathin 2D systems. Meanwhile, nonradiative processes such as phonon-assisted decay and intersystem crossing rates require careful evaluation, which competes together with radiative processes. From a thorough screening of defects based on first-principles calculations, we identify promising single-photon emitters such as Si VV and spin qubits such as Ti VV and Mo VV in hexagonal boron nitride. This work provided a complete first-principles theoretical framework for defect design in 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Spin-neurons: A possible path to energy-efficient neuromorphic computers

Recent years have witnessed growing interest in the field of brain-inspired computing based on neural-network architectures. In order to translate the related algorithmic models into powerful, yet energy-efficient cognitive-computing hardware, computing-devices beyond CMOS may need to be explored. The suitability of such devices to this field of computing would strongly depend upon how closely their physical characteristics match with the essential computing primitives employed in such models. In this work, we discuss the rationale of applying emerging spin-torque devices for bio-inspired computing. Recent spin-torque experiments have shown the path to low-current, low-voltage, and high-speed magnetization switching in nano-scale magnetic devices. Such magneto-metallic, current-mode spin-torque switches can mimic the analog summing and “thresholding” operation of an artificial neuron with high energy-efficiency. Comparison with CMOS-based analog circuit-model of a neuron shows that “spin-neurons” (spin based circuit model of neurons) can achieve more than two orders of magnitude lower energy and beyond three orders of magnitude reduction in energy-delay product. The application of spin-neurons can therefore be an attractive option for neuromorphic computers of future.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Successive phase transitions and kink solutions in Φ⁸, Φ¹⁰, and Φ¹² field theories

We obtain exact solutions for kinks in Φ⁸, Φ¹⁰, and Φ¹² field theories with degenerate minima, which can describe a second-order phase transition followed by a first-order one, a succession of two first-order phase transitions and a second-order phase transition followed by two first-order phase transitions, respectively. Such phase transitions are known to occur in ferroelastic and ferroelectric crystals and in meson physics. In particular, we find that the higher-order field theories have kink solutions with algebraically-decaying tails and also asymmetric cases with mixed exponential-algebraic tail decay, unlike the lower-order Φ⁴ and Φ⁶ theories. Additionally, we construct distinct kinks with equal energies in all three field theories considered, and we show the co-existence of up to three distinct kinks (for a Φ¹² potential with six degenerate minima). We also summarize phonon dispersion relations for these systems, showing that the higher-order field theories have specific cases in which only nonlinear phonons are allowed. For the Φ¹⁰ field theory, which is a quasi-exactly solvable (QES) model akin to Φ⁶, we are also able to obtain three analytical solutions for the classical free energy as well as the probability distribution function in the thermodynamic limit.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Integral Criticality Estimators in MCATK(U)

The Monte Carlo Application Toolkit (MCATK) is a component-based software toolset for delivering customized particle transport solutions using the Monte Carlo method. Currently under development in the XCP-MCC group at Los Alamos National Laboratory, the toolkit has the ability to estimate the k eff and α eigenvalues for static geometries. This paper presents a description of the estimators and variance reduction techniques available in the toolkit and includes a preview of those slated for future releases. Along with the description of the underlying algorithms is a description of the available user inputs for controlling the iterations. The paper concludes with a comparison of the MCATK results with those provided by analytic solutions. The results match within expected statistical uncertainties and demonstrate MCATK's usefulness in estimating these important quantities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

THE FREE GAS THERMAL TREATMENT IN MCATK: Sampling the Thermal Motion of the Target Nucleus (U)

The free gas thermal treatment for neutron scattering, as formulated for Monte Carlo by Coveyou et al., is implemented and tested in the MCATK software library. This treatment is necessary for two reasons: 1) to handle the kinematics of a neutron colliding with a target nucleus in thermal motion and 2) to accurately use ACE scattering data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Physical Sciences Vistas: Perspectives on Excellence in Mission-Focused Science, Technology, and Engineering at Los Alamos Laboratory (Issue 1, 2020)

This is the first 2020 issue of Physical Sciences Vistas, with a focus on “excellence in mission-focused science, technology, and engineering.” Excellence in mission-focused ST&E comprises one of the four elements of the Laboratory Agenda, focusing on sustaining and enhancing LANL’s science base. This issue highlights the diverse efforts of personnel in our Physical Sciences Directorate (ALDPS) to enhance science, technology, and engineering at the Laboratory. As we reflect on work at the Laboratory, mostly from our homes due to COVID-19, it is gratifying to see the important, diverse contributions to ST&E across ALDPS.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Quantum simulation of massive Thirring and Gross--Neveu models for arbitrary number of flavors

The study of fermionic quantum field theories is an important problem for realizing the standard model of particle physics on a quantum computer. As a step towards this goal, we consider the massive Thirring and Gross--Neveu models with arbitrary number of fermion flavors, $N_f$, discretized on a spatial one-dimensional lattice of size $L$ in the Hamiltonian formulation. We compute the gate complexity using the higher-order product formula and using block-encoding/qubitization and quantum singular value transformations in the limit of large $N_f$ and $L$. We also prepare the ground states of both models with excellent fidelity for system sizes up to 20 qubits with $N_f = 1,2,3,4$ using the adaptive-variational quantum imaginary time algorithm. In addition, we also classify the dynamical Lie algebras of these relativistic fermionic models and show that they belong to the same isomorphism class. Our work is a concrete step towards the quantum simulation of real-time dynamics of large $N_f$ fermionic quantum field theories models relevant for chiral symmetry breaking, understanding dimensional transmutation, and exploring the conformal window of field theories on near-term and early fault-tolerant quantum computers.

FOS: Physical sciences↗
DOE OSTI2022

Effectively using multifidelity optimization for wind turbine design

Abstract. Wind turbines are complex multidisciplinary systems that are challenging to design because of the tightly coupled interactions between different subsystems. Computational modeling attempts to resolve these couplings so we can efficiently explore new wind turbine systems early in the design process. Low-fidelity models are computationally efficient but make assumptions and simplifications that limit the accuracy of design studies, whereas high-fidelity models capture more of the actual physics but with increased computational cost. This paper details the use of multifidelity methods for optimizing wind turbine designs by using information from both low- and high-fidelity models to find an optimal solution at reduced cost. Specifically, a trust-region approach is used with a novel corrective function built from a nonlinear surrogate model. We find that for a diverse set of design problems – with examples given in rotor blade geometry design, wind turbine controller design, and wind power plant layout optimization – the multifidelity method finds the optimal design using 38 %–58 % of the computational cost of the high-fidelity-only optimization. The success of the multifidelity method in disparate applications suggests that it could be more broadly applied to other wind energy or otherwise generic applications.

17 WIND ENERGY↗
NASA NTRS2001

Pricing the Computing Resources: Reading Between the Lines and Beyond

Distributed computing systems have the potential to increase the usefulness of existing facilities for computation without adding anything physical, but that is realized only when necessary administrative features are in place. In a distributed environment, the best match is sought between a computing job to be run and a computer to run the job (global scheduling), which is a function that has not been required by conventional systems. Viewing the computers as 'suppliers' and the users as 'consumers' of computing services, markets for computing services/resources have been examined as one of the most promising mechanisms for global scheduling. We first establish why economics can contribute to scheduling. We further define the criterion for a scheme to qualify as an application of economics. Many studies to date have claimed to have applied economics to scheduling. If their scheduling mechanisms do not utilize economics, contrary to their claims, their favorable results do not contribute to the assertion that markets provide the best framework for global scheduling. We examine the well-known scheduling schemes, which concern pricing and markets, using our criterion of what application of economics is. Our conclusion is that none of the schemes examined makes full use of economics.

Nakai, Junko↗
DOE OSTI2024

Artificial correlation heating in PIC simulations

The Particle-in-Cell (PIC) method, a cornerstone in plasma modeling, is widely employed for its ability to simulate kinetic phenomena in device-scale domains. Part of what makes this possible is that computational macroparticles represent many physical particles. It converges under certain constraints, including a grid spacing that resolves the Debye length and a time step small enough to respect the Courant–Friedrichs–Lewy condition and plasma frequency stability limit. Here, we introduce a new constraint necessary to avoid Artificial Correlation Heating (ACH). This requires that the macroparticle coupling strength be smaller than one, Γ ω < 1, where Γ ω ≡ Γω 2/3 ⁠, Γ = Z 2 e 2 /(4πε 0 ak B T) is the physical coupling strength, and w is the macroparticle weight. This is particularly relevant to 3D simulations of dense plasmas, which are becoming common with modern computing power. If this condition is violated, the finite macroparticle weight artificially enhances the coupling strength and causes the plasma to heat until the macroparticle coupling strength is near unity, depending on the grid resolution. A comprehensive model of ACH is developed that incorporates electron density, temperature, macroparticle weight, and grid resolution. It is then tested using PIC simulations, delineating the boundaries of the method's applicability and offering a predictive framework for ACH. Moreover, the research explores a runaway heating process induced by ACH in the presence of ionization, which can lead to numerical instability. A conclusion of this study is that the onset of ACH can impose a more stringent constraint on the macroparticle weight and average number of macroparticles per cell than what is typically expected, particularly in 3D simulations of dense plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Space-filling designs for computer experiments: A review

Improving the quality of a product/process using a computer simulator is a much less expensive option than the real physical testing. However, simulation using computationally intensive computer models can be time consuming and therefore, directly doing the optimization on the computer simulator can be infeasible. Experimental design and statistical modeling techniques can be used for overcoming this problem. This article reviews experimental designs known as space-filling designs that are suitable for computer simulations. In the review, a special emphasis is given for a recently developed space-filling design called maximum projection design. Furthermore, its advantages are illustrated using a simulation conducted for optimizing a milling process.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Three-dimensional Navier-Stokes analysis and redesign of an imbedded bellmouth nozzle in a turbine cascade inlet section

Verification of proposed turbopump blading performance will involve evaluation of candidate blades in cascade test facilities. It is necessary to be able to predict the flow fields within these cascades for the results to be applicable to actual engine environments. This work presents the results of a study to predict the flow field for the NASA Lewis Transonic Turbine Blade Cascade Facility, which is similar to those used to evaluate rocket propulsion turbines. A pitchwise nonuniform total pressure distribution was observed at the blade row leading edge plane. A CFD analysis was used to show that the cause of the flow nonuniformity was a pair of vortices that originated in an embedded bellmouth inlet. Further CFD analysis was used to verify that a redesigned inlet section resulted in a flow with acceptable uniformity. A computational analysis was chosen because physical accessibility to the inlet section was limited, and because a computational approach also allows one to examine design changes cheaper and more quickly than an experimental approach would. The PARC code, a general purpose, three-dimensional, Navier-Stokes code with multiblock solution capability, was chosen for the present study. Results are presented detailing the computational requirements needed to accurately predict flows of this nature. Calculations of the original geometry showed total pressure loss regions consistent in strength and in location to experimental measurements. An examination of the results shows that the distortions are caused by a pair of vortices that originate as a result of the interaction of the flow with the imbedded bellmouth. Computations were performed for an inlet geometry which eliminated the imbedded bellmouth by bridging the region between it and the upstream wall. This analysis indicated that eliminating the imbedded bellmouth eliminates the troublesome pair of vortices, resulting in a flow with much greater pitchwise uniformity.

Giel, P. W.↗
NASA NTRS2016

Remote Adaptive Motor Resistance Training Exercise Apparatus and Method of Use Thereof

The invention comprises a method and/or an apparatus using a computer configured exercise system equipped with an electric motor to provide physical resistance to user motion in conjunction with means for sharing exercise system related data and/or user performance data with a secondary user, such as a medical professional, a physical therapist, a trainer, a computer generated competitor, and/or a human competitor. For example, the exercise system is used with a remote trainer to enhance exercise performance, with a remote medical professional for rehabilitation, and/or with a competitor in a competition, such as in a power/weightlifting competition or in a video game. The exercise system is optionally configured with an intelligent software assistant and knowledge navigator functioning as a personal assistant application.

Reich, Alton↗
NASA NTRS2017

Remote Adaptive Motor Resistance Training Exercise Apparatus and Method of Use Thereof

The invention comprises a method and/or an apparatus using a computer configured exercise system equipped with an electric motor to provide physical resistance to user motion in conjunction with means for sharing exercise system related data and/or user performance data with a secondary user, such as a medical professional, a physical therapist, a trainer, a computer generated competitor, and/or a human competitor. For example, the exercise system is used with a remote trainer to enhance exercise performance, with a remote medical professional for rehabilitation, and/or with a competitor in a competition, such as in a power/weightlifting competition or in a video game. The exercise system is optionally configured with an intelligent software assistant and knowledge navigator functioning as a personal assistant application.

Reich, Alton↗