Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “variational Monte Carlo”

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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Thermal Phase Variations of WASP-12b: Defying Predictions

We report Warm Spitzer full-orbit phase observations of WASP-12b at 3.6 and 4.5 micrometers. This extremely inflated hot Jupiter is thought to be overflowing its Roche lobe, undergoing mass loss and accretion onto its host star, and has been claimed to have a C/O ratio in excess of unity. We are able to measure the transit depths, eclipse depths, thermal and ellipsoidal phase variations at both wavelengths. The large-amplitude phase variations, combined with the planet's previously measured dayside spectral energy distribution, are indicative of non-zero Bond albedo and very poor day-night heat redistribution. The transit depths in the mid-infrared-(R(sub p)/R(sub ∗))(sup 2) = 0.0123(3) and 0.0111(3) at 3.6 and 4.5 micrometers, respectively-indicate that the atmospheric opacity is greater at 3.6 than at 4.5 micrometers, in disagreement with model predictions, irrespective of C/O ratio. The secondary eclipse depths are consistent with previous studies: F(sub day)/F(sub ∗) = 0.0038(4) and 0.0039(3) at 3.6 and 4.5 micrometers, respectively. We do not detect ellipsoidal variations at 3.6 micrometers, but our parameter uncertainties-estimated via prayer-bead Monte Carlo-keep this non-detection consistent with model predictions. At 4.5 micrometers, on the other hand, we detect ellipsoidal variations that are much stronger than predicted. If interpreted as a geometric effect due to the planet's elongated shape, these variations imply a 3:2 ratio for the planet's longest:shortest axes and a relatively bright day-night terminator. If we instead presume that the 4.5 micrometer ellipsoidal variations are due to uncorrected systematic noise and we fix the amplitude of the variations to zero, the best-fit 4.5 micrometer transit depth becomes commensurate with the 3.6 micrometer depth, within the uncertainties. The relative transit depths are then consistent with a solar composition and short scale height at the terminator. Assuming zero ellipsoidal variations also yields a much deeper 4.5 micrometer eclipse depth, consistent with a solar composition and modest temperature inversion. We suggest future observations that could distinguish between these two scenarios.

planetary↗
NASA NTRS1995

Monte Carlo simulations of precise timekeeping in the Milstar communication satellite system

The Milstar communications satellite system will provide secure antijam communication capabilities for DOD operations into the next century. In order to accomplish this task, the Milstar system will employ precise timekeeping on its satellites and at its ground control stations. The constellation will consist of four satellites in geosynchronous orbit, each carrying a set of four rubidium (Rb) atomic clocks. Several times a day, during normal operation, the Mission Control Element (MCE) will collect timing information from the constellation, and after several days use this information to update the time and frequency of the satellite clocks. The MCE will maintain precise time with a cesium (Cs) atomic clock, synchronized to UTC(USNO) via a GPS receiver. We have developed a Monte Carlo simulation of Milstar's space segment timekeeping. The simulation includes the effects of: uplink/downlink time transfer noise; satellite crosslink time transfer noise; satellite diurnal temperature variations; satellite and ground station atomic clock noise; and also quantization limits regarding satellite time and frequency corrections. The Monte Carlo simulation capability has proven to be an invaluable tool in assessing the performance characteristics of various timekeeping algorithms proposed for Milstar, and also in highlighting the timekeeping capabilities of the system. Here, we provide a brief overview of the basic Milstar timekeeping architecture as it is presently envisioned. We then describe the Monte Carlo simulation of space segment timekeeping, and provide examples of the simulation's efficacy in resolving timekeeping issues.

Camparo, James C.↗
DOE OSTI2022

A simple approach for characterizing the spatially varying sensitivity of microchannel plate detectors

Herein we present a simple approach to characterize the spatial variation of the gain in microchannel plate (MCP) coupled to phosphor detectors using single electron or photon hits. The technique is easy to implement and general enough to be extended to other kinds of detectors. We demonstrate the efficacy of the approach on both laboratory and Monte Carlo generated datasets. Furthermore, we use the approach to measure the variation in gain over time as the MCP is exposed to an increasing number of electrons.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Krylov spaces for truncated spectrum methodologies

We propose herein an extension of truncated spectrum methodologies, a nonperturbative numerical approach able to elucidate the low energy properties of quantum field theories. TSMs, in their various flavors, involve a division of a computational Hilbert space, H , into two parts, one part, H 1 that is “kept” for the numerical computations, and one part, H 2 , that is discarded or “truncated.” Even though H 2 is discarded, truncated spectrum methodologies will often try to incorporate the effects of H 2 in some effective way. In these terms, we propose to keep the dimension of H 1 small. We pair this choice of H 1 with a Krylov subspace iterative approach able to take into account the effects of H 2 . This iterative approach can be taken to arbitrarily high order and so offers the ability to compute quantities to arbitrary precision. In many cases it also offers the advantage of not needing an explicit UV cutoff. To compute the matrix elements that arise in the Krylov iterations, we employ a Feynman diagrammatic representation that is then evaluated with Monte Carlo techniques. Each order of the Krylov iteration is variational and is guaranteed to improve upon the previous iteration. The first Krylov iteration is akin to the next-to-leading order approach of Elias-Miró [NLO renormalization in the Hamiltonian truncation, ]. To demonstrate this approach, we focus on the ( 1 + 1 d )-dimensional ϕ 4 model and compute the bulk energy and mass gaps in both the Z 2 -broken and unbroken sectors. We estimate the critical ϕ 4 coupling in the broken phase to be g c = 0.2645 ± 0.002 . Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2000

An Analysis of Water Line Profiles in Star Formation Regions Observed by SWAS

We present spectral line profiles for the 557 GHz 1(sub 1,0) yields 1(sub 0,1) ground-state rotational transition of ortho-H2(16)O for 18 galactic star formation regions observed by SWAS. 2 Water is unambiguously detected in every source. The line profiles exhibit a wide variety of shapes, including single-peaked spectra and self-reversed profiles. We interpret these profiles using a Monte Carlo code to model the radiative transport. The observed variations in the line profiles can be explained by variations in the relative strengths of the bulk flow and small-scale turbulent motions within the clouds. Bulk flow (infall, outflow) must be present in some cloud cores, and in certain cases this bulk flow dominates the turbulent motions.

Ashby, Matthew L. N.↗
NASA NTRS2003

Determination of Rolling-Element Fatigue Life From Computer Generated Bearing Tests

Two types of rolling-element bearings representing radial loaded and thrust loaded bearings were used for this study. Three hundred forty (340) virtual bearing sets totaling 31400 bearings were randomly assembled and tested by Monte Carlo (random) number generation. The Monte Carlo results were compared with endurance data from 51 bearing sets comprising 5321 bearings. A simple algebraic relation was established for the upper and lower L(sub 10) life limits as function of number of bearings failed for any bearing geometry. There is a fifty percent (50 percent) probability that the resultant bearing life will be less than that calculated. The maximum and minimum variation between the bearing resultant life and the calculated life correlate with the 90-percent confidence limits for a Weibull slope of 1.5. The calculated lives for bearings using a load-life exponent p of 4 for ball bearings and 5 for roller bearings correlated with the Monte Carlo generated bearing lives and the bearing data. STLE life factors for bearing steel and processing provide a reasonable accounting for differences between bearing life data and calculated life. Variations in Weibull slope from the Monte Carlo testing and bearing data correlated. There was excellent agreement between percent of individual components failed from Monte Carlo simulation and that predicted.

Vlcek, Brian L.↗
NASA NTRS1972

Monte Carlo Simulation of Nonlinear Radiation Induced Plasmas

A Monte Carlo simulation model for radiation induced plasmas with nonlinear properties due to recombination was, employing a piecewise linearized predict-correct iterative technique. Several important variance reduction techniques were developed and incorporated into the model, including an antithetic variates technique. This approach is especially efficient for plasma systems with inhomogeneous media, multidimensions, and irregular boundaries. The Monte Carlo code developed has been applied to the determination of the electron energy distribution function and related parameters for a noble gas plasma created by alpha-particle irradiation. The characteristics of the radiation induced plasma involved are given.

Wang, B. S.↗
DOE OSTI2025

Simulating Atmospheric Processes in Earth System Models and Quantifying Uncertainties With Deep Learning Multi‐Member and Stochastic Parameterizations

Abstract Deep learning is a powerful tool to represent subgrid processes in climate models, but many application cases have so far used idealized settings and deterministic approaches. Here, we develop stochastic parameterizations with calibrated uncertainty quantification to learn subgrid convective and turbulent processes and surface radiative fluxes of a superparameterization embedded in an Earth System Model (ESM). We explore three methods to construct stochastic parameterizations: (a) a single Deep Neural Network (DNN) with Monte Carlo Dropout; (b) a multi‐member parameterization; and (c) a Variational Encoder Decoder with latent space perturbation. We show that the multi‐member parameterization improves the representation of convective processes, especially in the planetary boundary layer, compared to individual DNNs. The respective uncertainty quantification illustrates that methods (b) and (c) are advantageous compared to a dropout‐based DNN parameterization regarding the spread of convective processes. Hybrid simulations with our best‐performing multi‐member parameterizations remained challenging and crash within the first days. Therefore, we develop a pragmatic partial coupling strategy relying on the superparameterization for condensate emulation. Partial coupling reduces the computational efficiency of hybrid Earth‐like simulations but enables model stability over 5 months with our multi‐member parameterizations. However, our hybrid simulations exhibit biases in thermodynamic fields and differences in precipitation patterns. Despite this, the multi‐member parameterizations enable improvements in reproducing tropical extreme precipitation compared to a traditional convection parameterization. Despite these challenges, our results indicate the potential of a new generation of multi‐member machine learning parameterizations leveraging uncertainty quantification to improve the representation of stochasticity of subgrid effects.

Behrens, Gunnar [Deutsches Zentrum für Luft‐ und R↗
DOE OSTI2020

Tunable chemical complexity to control atomic diffusion in alloys

Abstract In this paper we report a new fundamental understanding of chemically-biased diffusion in Ni–Fe random alloys that is tuned/controlled by the intrinsic quantifiable chemical complexity. Development of radiation-tolerant alloys has been a long-standing challenge. Here we show how intrinsic chemical complexity can be utilized to guide the atomic diffusion and suppress radiation damage. The influence of chemical complexity is shown by the example of interstitial atom (IA) diffusion that is the most important defect in radiation effects. We use μs-scale molecular dynamics to reveal sluggish diffusion and percolation of IAs in concentrated Ni–Fe alloys. We develop a mean field diffusion model to take into account the effect of migrating defect energy properties on diffusion percolation, which is verified by a new kinetic Monte Carlo approach addressing detailed processes. We demonstrate that the local variations in the ground state energy of IA configurations in alloys, reflecting the chemical difference between alloying components, drives the percolation effects for atomic diffusion. Percolation, chemically-biased and sluggish diffusion are phenomena that are directly related to the chemical complexity intrinsically to multicomponent alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Quantitative x ray phase contrast imaging of oblique shock wave–interface interactions

Oblique shock wave–interface interactions of gases and liquids have been extensively studied in shock tubes using optical methods to measure equation-of-state (EOS) parameters. However, this is difficult with solids due to their opaqueness to visible light. X ray phase contrast imaging (XPCI) has the penetrative strength to probe solids while still being sensitive to mass density and enhancing the visibility of material boundaries. We investigate the accuracy and repeatability of measuring the mean value of the average mass density (areal density divided by thickness) over region S (B S ) and flow deflection angle (θ) from XPCI images of a sample. To that end, a Hough transform-based method for measuring θ is developed. To measure B S , the XPCI image intensity probability density function (PDF) is modeled accounting for the spatial distribution of x ray energy, scintillator response, and pulse-to-pulse variation in the x ray intensity. In addition, a Monte Carlo-based algorithm for computing the B S PDF is developed. Both methods are validated on an impact-generated oblique shock wave interacting at a solid polymer-to-polymer interface. Furthermore this is accomplished through a comparison to hydrodynamic simulations using well-established EOS. Under the modeling framework for the XPCI image intensity, B S is computed with an accuracy of < 0.1% and precision of 3%–5%, while θ has an uncertainty of 0.2°, respectively. This shows that the XPCI-based model that is developed here could be an invaluable tool for high-fidelity testing of hydrodynamic models in shock polar configurations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

A Monte-Carlo Method for Evaluating the Economic Performance of Plastics Recycling Systems Using Historical Pricing

The management of plastic waste is a considerable emerging global concern. Conventional plastics recycling rates range from 5–10% in the US, which results in considerable material being sent to landfill. New sorting technologies using artificial intelligence have the potential to dramatically increase the ability of waste management companies to sort out valuable fractions of plastic waste and create high-purity streams for secondary markets. However, several fractions of the plastics recycling stream, i.e., low-density polyethylene, polypropylene, and polystyrene, do not have well-developed markets. These materials may be sent to pyrolysis facilities for thermal recycling, but the economics of the pyrolysis industry are currently uncertain. This work aims to identify the breakeven price of the plastic fractions that would be sent to pyrolysis in order to determine the economic viability of the sorting facility. The work will use Monte Carlo analysis to evaluate several scenarios and understand how compositional variation, price variability, and facility attributes affect the breakeven price. Here, the presorting conditions in Materials Recovery Facilities strongly affects the profitability of the sorting facility. High residual high density polyethylene (HDPE) and polyethylene terephthalate (PET) content in presorted bales are important revenue drivers for the facility, even in presorted 3-7 bales. Key variables that lead to profitability include a high sale price of polyethylene terephthalate, a high sale price of high-density polyethylene, and if polypropylene can be sold to recycling markets (as opposed to pyrolysis facilities).

Plastics↗
NASA NTRS1981

Compositional inhomogeneities in a single Icelandic tholeiite flow

New trace element analyses of 25 basalt samples from a vertical traverse in an 11 m thick flow of Icelandic tholeiite show compositional differences which exceed analytical uncertainties and are random with respect to height. These variations suggest a short-range segregation model in which the amounts of phenocrysts, groundmass materials, and residual liquid vary randomly in different samples of the flow; a least-squares method is applied to determine if these variations reflect different proportions of crystallizing phases and residual liquid. Monte Carlo computations indicate that short-range segregation results in inhomogeneity of a magnitude of interflow compositional differences; this causes incoherence in elements with different geochemical behaviors while preserving coherence in elements of similar behavior.

Lindstrom, M. M.↗
NASA NTRS2001

Free Vibration of Uncertain Unsymmetrically Laminated Beams

Monte Carlo Simulation and Stochastic FEA are used to predict randomness in the free vibration response of thin unsymmetrically laminated beams. For the present study, it is assumed that randomness in the response is only caused by uncertainties in the ply orientations. The ply orientations may become random or uncertain during the manufacturing process. A new 16-dof beam element, based on the first-order shear deformation beam theory, is used to study the stochastic nature of the natural frequencies. Using variational principles, the element stiffness matrix and mass matrix are obtained through analytical integration. Using a random sequence a large data set is generated, containing possible random ply-orientations. This data is assumed to be symmetric. The stochastic-based finite element model for free vibrations predicts the relation between the randomness in fundamental natural frequencies and the randomness in ply-orientation. The sensitivity derivatives are calculated numerically through an exact formulation. The squared fundamental natural frequencies are expressed in terms of deterministic and probabilistic quantities, allowing to determine how sensitive they are to variations in ply angles. The predicted mean-valued fundamental natural frequency squared and the variance of the present model are in good agreement with Monte Carlo Simulation. Results, also, show that variations between plus or minus 5 degrees in ply-angles can affect free vibration response of unsymmetrically and symmetrically laminated beams.

Kapania, Rakesh K.↗
NASA NTRS1976

Calculations of polarization and radiance in the atmosphere

Two different methods for the solution of radiative transfer problems, matrix operator and Monte Carlo, are discussed. As an example of the use of the method, results are given for the radiance and polarization of the radiation scattered from haze layers as well as from models of the real atmosphere. The variation of the radiance, polarization, and ellipticity with the aerosol amount in the real atmosphere model is presented. The Monte Carlo method is applied to the problem of calculation of the radiance and polarization of the photons in the atmosphere when there is an ocean as the lower surface. It is found that the turbidity of the ocean can be deduced from the upwelling radiance measured at some height in the atmosphere. The downwelling radiation just beneath the ocean surface is elliptically polarized at those angles where it is derived from the total internal reflection of the upwelling radiation at the ocean surface.

Plass, G. N.↗
DOE OSTI2023

Atomistic models of In and Ga diffusion in Cu(In,Ga)Se 2

To improve the performance of Cu(In,Ga)Se 2 thin-film photovoltaic devices, a robust understanding of the dominant diffusion pathways of the alloy species In and Ga is needed. Here, the most probable defect complexes and mechanisms for In and Ga diffusion are identified with the aid of density functional theory. The binding energies and migration barriers for these complexes are calculated in bulk CuInSe 2 and CuGaSe 2 . Analytic models and kinetic lattice Monte Carlo simulations are employed to predict the diffusivity of In and Ga under variations in composition and temperature. Here, we find that a model based on coulombic interactions between group III antisites and vacancies on the Cu-sublattice produces results that match well with experiment.

14 SOLAR ENERGY↗
DOE OSTI2021

Stochastic evaluation of fourth-order many-body perturbation energies

A scalable, stochastic algorithm evaluating the fourth-order many-body perturbation (MP4) correction to energy is proposed. Three hundred Goldstone diagrams representing the MP4 correction are computer generated and then converted into algebraic formulas expressed in terms of Green’s functions in real space and imaginary time. They are evaluated by the direct (i.e., non-Markov, non-Metropolis) Monte Carlo (MC) integration accelerated by the redundant-walker and control-variate algorithms. The resulting MC-MP4 method is efficiently parallelized and is shown to display O(n 5.3 ) size-dependence of cost, which is nearly two ranks lower than the O(n 7 ) dependence of the deterministic MP4 algorithm. Furthermore, it evaluates the MP4/aug-cc-pVDZ energy for benzene, naphthalene, phenanthrene, and corannulene with the statistical uncertainty of 10 mE h (1.1% of the total basis-set correlation energy), 38 mE h (2.6%), 110 mE h (5.5%), and 280 mE h (9.0%), respectively, after about 10 9 MC steps.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

A nodal transport method for coupled fast-thermal reactor analysis

We report that for efficient core analyses of coupled fast-thermal reactors, a new deterministic method has been developed based on the variational nodal transport method of VARIANT. A new multigroup cross section generation procedure was devised by combining Monte Carlo lattice calculations for thermal assemblies and the two-step procedure of the MC 2 -3 code for fast assemblies. To reduce assembly homogenization errors in nodal transport calculations, a new nodal equivalence method was developed based on the partial current discontinuity factor (PCDF) and incorporated in VARIANT. A practical procedure to calculate PCDFs with fixed source supercell calculations was also devised. The performance of the proposed method was investigated using a test problem derived from the versatile coupled test reactor (VCTR) design. The new procedure produced multigroup cross sections accurately for all assemblies. VARIANT transport calculations with PCDFs produced accurate multiplication factor and power distribution compared to reference Serpent-2 Monte Carlo solutions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗