Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “linear scaling”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Impurity lattice Monte Carlo for hypernuclei

Abstract We consider the problem of including $$\varLambda $$ Λ hyperons into the ab initio framework of nuclear lattice effective field theory. In order to avoid large sign oscillations in Monte Carlo simulations, we make use of the fact that the number of hyperons is typically small compared to the number of nucleons in the hypernuclei of interest. This allows us to use the impurity lattice Monte Carlo method, where the minority species of fermions in the full nuclear Hamiltonian is integrated out and treated as a worldline in Euclidean projection time. The majority fermions (nucleons) are treated as explicit degrees of freedom, with their mutual interactions described by auxiliary fields. This is the first application of the impurity lattice Monte Carlo method to systems where the majority particles are interacting. Here, we show how the impurity Monte Carlo method can be applied to compute the binding energies of the light hypernuclei. In this exploratory work we use spin-independent nucleon–nucleon and hyperon–nucleon interactions to test the computational power of the method. We find that the computational effort scales approximately linearly in the number of nucleons. The results are very promising for future studies of larger hypernuclear systems using chiral effective field theory and realistic hyperon–nucleon interactions, as well as applications to other quantum many-body systems.

Frame, Dillon↗
DOE OSTI2022

Stochastic Vector Techniques in Ground-State Electronic Structure

Herein we review a suite of stochastic vector computational approaches for studying the electronic structure of extended condensed matter systems. These techniques help reduce algorithmic complexity, facilitate efficient parallelization, simplify computational tasks, accelerate calculations, and diminish memory requirements. While their scope is vast, we limit our study to ground-state and finite temperature density functional theory (DFT) and second-order many-body perturbation theory. More advanced topics, such as quasiparticle (charge) and optical (neutral) excitations and higher-order processes, are covered elsewhere. We start by explaining how to use stochastic vectors in computations, characterizing the associated statistical errors. Next, we show how to estimate the electron density in DFT and discuss effective techniques to reduce statistical errors. Finally, we review the use of stochastic vectors for calculating correlation energies within the second-order Møller-Plesset perturbation theory and its finite temperature variational form. Example calculation results are presented and used to demonstrate the efficacy of the methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Compressed basis GMRES on high-performance graphics processing units

Krylov methods provide a fast and highly parallel numerical tool for the iterative solution of many large-scale sparse linear systems. To a large extent, the performance of practical realizations of these methods is constrained by the communication bandwidth in current computer architectures, motivating the investigation of sophisticated techniques to avoid, reduce, and/or hide the message-passing costs (in distributed platforms) and the memory accesses (in all architectures). This article leverages Ginkgo’s memory accessor in order to integrate a communication-reduction strategy into the (Krylov) GMRES solver that decouples the storage format (i.e., the data representation in memory) of the orthogonal basis from the arithmetic precision that is employed during the operations with that basis. Given that the execution time of the GMRES solver is largely determined by the memory accesses, the cost of the datatype transforms can be mostly hidden, resulting in the acceleration of the iterative step via a decrease in the volume of bits being retrieved from memory. Together with the special properties of the orthonormal basis (whose elements are all bounded by 1), this paves the road toward the aggressive customization of the storage format, which includes some floating-point as well as fixed-point formats with mild impact on the convergence of the iterative process. We develop a high-performance implementation of the “compressed basis GMRES” solver in the Ginkgo sparse linear algebra library using a large set of test problems from the SuiteSparse Matrix Collection. We demonstrate robustness and performance advantages on a modern NVIDIA V100 graphics processing unit (GPU) of up to 50% over the standard GMRES solver that stores all data in IEEE double-precision.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Simulating microgalvanic corrosion in alloys using the PRISMS phase-field framework

In this prospective paper, we first review the existing simulation tools to simulate microgalvanic corrosion during free immersion. Then, we describe a recently developed application that employs PRISMS-PF, an open-source, high-performance phase-field modeling framework. The model employed in the application accounts for the electrochemical reaction at the metal/electrolyte interface and ionic migration in the electrolyte to determine the evolution of the corrosion front. We present the implementation details for the application and discuss its features such as super-linear parallel scaling performance for a sufficiently large system. Finally, we demonstrate the capability of the application by simulating corrosion of the matrix phase of an alloy near a secondary phase particle in two and three dimensions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Accelerate M-TIP on GPUs and deploy to Summit and NERSC-9 (against simulated data) WBS 2.2.4.05 ExaFEL, Milestone ADSE13-199

We evaluated the orientation matching step in the M-TIP SPI workflow for potential offloading to accelerators. We ported the code to GPUs, benchmarked it, optimized and down-selected the best versions. The accelerated version of the orientation matching code that was developed at LANL (LANL GPU v3) is 34-55X faster than sequential, 2.4-4.9X faster than the fastest OpenMP open source version we found (FAISS OpenMP) and 1.5-4X faster than the fastest GPU open source version we found (FAISS GPU). Summit single-node GPU versions were somewhat faster than Cori GPU. Image size plays a role; mid-range image sizes take more time. The LANL CUDA multi-node, multi-GPU implementation shows mostly linear strong scaling. I/O also plays a large role; splitting data into parts improves read time and burst buffers dramatically improve read times. This work will be integrated into the M-TIP workflow as part of the next milestone ADSE13-193.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

The Effect of the Flux Separability Approximation on Multigroup Neutron Transport

The angular dependence of flux-weighted multigroup cross sections is commonly neglected when generating multigroup libraries. The error of this flux separability approximation is typically not isolated from other error sources due to a lack of availability of library generation and corresponding solvers that cannot relax this approximation. These errors can now be isolated and quantified with the availability of a multigroup Monte Carlo transport and multigroup library-generation capability in the OpenMC Monte Carlo transport code. This work will discuss relevant details of the OpenMC implementation, provide an example case useful for detailing the type of errors one can expect from making the flux separability approximation, and end with more realistic problems which show the impact of the approximation and highlight how it can strongly arise from an energy-dependent resonance absorption effect. Since the angle-dependence is intrinsically linked to the energy group structure, these examples also show that relaxing the flux separability approximation with angle-dependent cross sections could be used to reduce either the fine-tuning required to set a multigroup energy structure for a specific reactor type or the number of energy groups required to obtain a desired level of accuracy for a given problem. This trade-off could increase the costs of generating multigroup cross sections, and has the potential to require more memory for storing the multigroup library during the transport calculations, but it can significantly reduce the computational time required since the runtime of a discrete ordinates or method of characteristics neutron transport solver scales roughly linearly with the number of groups.

42 ENGINEERING↗
DOE OSTI2024

Electron Heating in 2D Particle-in-cell Simulations of Quasi-perpendicular Low-beta Shocks

Abstract We measure the thermal electron energization in 1D and 2D particle-in-cell simulations of quasi-perpendicular, low-beta ( β p = 0.25) collisionless ion–electron shocks with mass ratio m i / m e = 200, fast Mach number M ms = 1 –4, and upstream magnetic field angle θ Bn = 55°–85° from the shock normal n ˆ . It is known that shock electron heating is described by an ambipolar, B -parallel electric potential jump, Δ ϕ ∥ , that scales roughly linearly with the electron temperature jump. Our simulations have Δ ϕ ∥ / ( 0.5 m i u sh 2 ) ∼ 0.1 –0.2 in units of the pre-shock ions’ bulk kinetic energy, in agreement with prior measurements and simulations. Different ways to measure ϕ ∥ , including the use of de Hoffmann–Teller frame fields, agree to tens-of-percent accuracy. Neglecting off-diagonal electron pressure tensor terms can lead to a systematic underestimate of ϕ ∥ in our low- β p shocks. We further focus on two θ Bn = 65° shocks: a M s = 4 ( M A = 1.8 ) case with a long, 30 d i precursor of whistler waves along n ˆ , and a M s = 7 ( M A = 3.2 ) case with a shorter, 5 d i precursor of whistlers oblique to both n ˆ and B ; d i is the ion skin depth. Within the precursors, ϕ ∥ has a secular rise toward the shock along multiple whistler wavelengths and also has localized spikes within magnetic troughs. In a 1D simulation of the M s = 4 , θ Bn = 65° case, ϕ ∥ shows a weak dependence on the electron plasma-to-cyclotron frequency ratio ω pe /Ω ce , and ϕ ∥ decreases by a factor of 2 as m i / m e is raised to the true proton–electron value of 1836.

Tran, Aaron (ORCID:0000000334834890)↗
NASA NTRS1974

Hot ion plasma heating experiments in SUMMA

Initial results are presented for the hot-ion plasma heating experiments conducted in the new SUMMA (superconducting magnetic mirror apparatus) at NASA Lewis Research Center. A discharge is formed by applying a radially inward dc electric field between cylindrical anodes and hallow cathodes located at the peak of the mirrors. Data were obtained at midplane magnetic field strengths from 1.0 to 3.5 tesla. Charge-exchange neutral particle energy analyzer data were reduced to ion temperatures using a plasma model that included a Maxwellian energy distribution superimposed on an azimuthal drift, finite ion orbits, and radial variations in density and electric field. The best ion temperatures in a helium plasma were 5 keV and in hydrogen the H2(+) and H(+) ions were 1.2 keV and 1 keV respectively. Optical spectroscopy line broadening measurements yielded ion temperatures about 50 percent higher than the charge-exchange neutral particle analyzer results. Spectroscopically obtained electron temperature ranged from 3 to 30 eV. Ion temperature was found to scale roughly linearly with the ratio of power input-to-magnetic field strength, P/B.

Reinmann, J. J.↗
NASA NTRS1982

Vortices in turbulence

Theoretical and experimental results of studies to determine the flow parameters and structures of plane mixing layers are reported. Smoke visualization, combined with hot-wire anemometry, sheets of laser light, and photography were used to gather data from the wall flow. The behavior of vortex rods was examined, noting that the rods persisted only if new vortex energy was supplied from the sublayer. A power spectral density was defined for the velocity fluctuations, as was a hierarchy of velocity scales for geometrically similar vortices. The length scale grows linearly with downstream distance, where the flow structures are fed by longitudinal vortices. A model is developed for vortex pairing in sequential order from the bottom of the mixing layer outward in a repetitive process involving vortex stretching. The model is actually a migration strategy that satisfies the flow self-preservation constraints.

Perry, A. E.↗
NASA NTRS1984

Characterization of Surface Reflectance Variation Effects on Remote Sensing

The use of Monte Carlo radiative transfer codes to simulate the effects on remote sensing in visible and infrared wavelengths of variables which affect classification is examined. These variables include detector viewing angle, atmospheric aerosol size distribution, aerosol vertical and horizontal distribution (e.g., finite clouds), the form of the bidirectional ground reflectance function, and horizontal variability of reflectance type and reflectivity (albedo). These simulations are used to characterize the sensitivity of observables (intensity and polarization) to variations in the underlying physical parameters both to improve algorithms for the removal of atmospheric effects and to identify techniques which can improve classification accuracy. It was necessary to revise and validate the simulation codes (CTRANS, ARTRAN, and the Mie scattering code) to improve efficiency and accommodate a new operational environment, and to build the basic software tools for acquisition and off-line manipulation of simulation results. Initial calculations compare cases in which increasing amounts of aerosol are shifted into the stratosphere, maintaining a constant optical depth. In the case of moderate aerosol optical depth, the effect on the spread function is to scale it linearly as would be expected from a single scattering model. Varying the viewing angle appears to provide the same qualitative effect as modifying the vertical optical depth (for Lambertian ground reflectance).

Pearce, W. A.↗
NASA NTRS1984

Engine cyclic durability by analysis and material testing

The problem of calculating turbine engine component durability is addressed. Nonlinear, finite-element structural analyses, cyclic constitutive behavior models, and an advanced creep-fatigue life prediction method called strainrange partitioning were assessed for their applicability to the solution of durability problems in hot-section components of gas turbine engines. Three different component or subcomponent geometries are examined: a stress concentration in a turbine disk; a louver lip of a half-scale combustor linear; and a squealer tip of a first-stage high-pressure turbine blade. Cyclic structural analyses were performed for all three problems. The computed strain-temperature histories at the critical locations of the combustor linear and turbine blade components were imposed on smooth specimens in uniaxial, strain-controlled, thermomechanical fatigue tests of evaluate the structural and life analysis methods.

Kaufman, A.↗
NASA NTRS1985

Rapid delivery of small payloads to Mars

To sustain a continued human presence on the surface of Mars or to achieve critical mission objectives the rapid delivery of small payloads may be necessary. Consideration is given to the physics of delivering payloads of about 10 kg over a nominal distance of 1 AU (149.5 x 10 to the 6th km) in 10 days. It is proposed that the most effective method of delivery is the use of a laser lightsail vehicle. The lightsail would be accelerated by a high-power laser from the vicinity of earth to velocities of approximately 174 km/s. Coasting at this velocity for most of the trip the vehicle would be decelerated by a similar laser upon arrival at Mars. The continuous laser power required is calculated to be about 47-billion W and the total duty time of both lasers, determined by optimization of the total energy, is calculated to be 3.9 hours. The laser power scales approximately linearly with payload mass and as the inverse square of the trip time.

Meyer, T. R.↗
NASA NTRS1987

Integration of altitude and airspeed information into a primary flight display via moving-tape formats

A ground-based aircraft simulation study was conducted to determine the effect on pilot performance of replacing the electromechanical altimeter and airspeed indicators with electronically generated representations integrated into the primary flight display via moving-tape (linear moving scale) formats. Several key factors relating to moving-tape formats were examined during the study: tape centering, secondary (trend) information, and tape orientation. The factor of centering refers to whether the tape was centered about the actual airspeed or altitude or about some defined reference value. Tape orientation refers to whether the values represented are arranged in either descending or ascending order. Six pilots participated in this study, with each subject performing 18 runs along a single, known flight profile. Subjective results indicated that the moving-tape formats were generally better than that of the conventional instruments. They also indicated that an actual-centered fixed pointer was preferred to a reference-centered pointer. Performance data for a visual secondary task showed that formats not containing trend information produced better performance; however, no difference was noted in airspeed tracking or altitude tracking performance. Regarding tape orientation, subjective comments indicated that there was lower work load and better performance when the airspeed tape had the high numbers at the top.

Abbott, Terence S.↗
NASA NTRS1987

Integration of altitude and airspeed information into a primary flight display via moving-tape formats: Evaluation during random tracking task

A ground-based aircraft simulation study was conducted to determine the effects on pilot preference and performance of integrating airspeed and altitude information into an advanced electronic primary flight display via moving-tape (linear moving scale) formats. Several key issues relating to the implementation of moving-tape formats were examined in this study: tape centering, tape orientation, and trend information. The factor of centering refers to whether the tape was centered about the actual airspeed or altitude or about some other defined reference value. Tape orientation refers to whether the represented values are arranged in descending or ascending order. Two pilots participated in this study, with each performing 32 runs along seemingly random, previously unknown flight profiles. The data taken, analyzed, and presented consisted of path performance parameters, pilot-control inputs, and electrical brain response measurements.

Abbott, Terence S.↗
NASA NTRS1986

Dissipative tides - Application to Venus' lower atmosphere

A linearized planetary scale wave model is used to investigate the effects of thermal and mechanical damping on atmospheric tides. When the damping rate is comparable to the frequency of solar diurnal forcing the circulation consists of three parts: a classical vertically propagating 'atmospheric tide' in the upper atmosphere, a simple thermally direct subsolar-to-antisolar circulation or 'Halley cell' in most of the lower atmosphere, and finally, a reversed 'anti-Halley cell' near the surface. The near-surface circulation produces horizontal divergence near the subsolar point. While tides are a frequently encountered phenomenon (Venus, earth, and Mars), there is so far no observational evidence of a Halley circulation in any planetary atmosphere. A subsolar-antisolar circulation might be possible in Venus' slowly rotating lower atmosphere if the mechanical dissipation time scale is of the order of or less than a Venusian day. Such a circulation could be a factor in maintaining the superrotation of Venus' upper atmosphere.

Covey, Curt↗
NASA NTRS1991

Polarized-cathodoluminescence study of uniaxial and biaxial stress in GaAs/Si

The strain-induced splitting of the heavy-hole (hh) and light-hole (lh) valence bands for 4-microns thick GaAs/Si is examined on a microscopic scale using linear polarized-cathodoluminescence imaging and spectroscopy. The energies and intensities of the hh- and lh-exciton luminescence are quantitatively analyzed to determine spatial variations in the stress tensor. The results indicate that regions near and far from the microcracks are primarily subject to uniaxial and biaxial tensile stresses, respectively. The transition region where biaxial stress gradually converts to uniaxial stress is analyzed, and reveals a mixing of lh and hh characters in the strain-split bands.

Rich, D. H.↗
NASA NTRS1996

On the Rapid Computation of Various Polylogarithmic Constants

We give algorithms for the computation of the d-th digit of certain transcendental numbers in various bases. These algorithms can be easily implemented (multiple precision arithmetic is not needed), require virtually no memory, and feature run times that scale nearly linearly with the order of the digit desired. They make it feasible to compute, for example, the billionth binary digit of log(2) or pi on a modest workstation in a few hours run time. We demonstrate this technique by computing the ten billionth hexadecimal digit of pi, the billionth hexadecimal digits of pi-squared, log(2) and log-squared(2), and the ten billionth decimal digit of log(9/10). These calculations rest on the observation that very special types of identities exist for certain numbers like pi, pi-squared, log(2) and log-squared(2). These are essentially polylogarithmic ladders in an integer base. A number of these identities that we derive in this work appear to be new, for example a critical identity for pi.

Bailey, David H.↗