Search NASA⌕ Search

SEARCH · Search NASA

Results for “Monte Carlo Techniques”

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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

New Theoretical Technique Developed for Predicting the Stability of Alloys

When alloys are being designed for aeronautical and other applications, a substantial experimental effort is necessary to make incremental changes in the desired alloy properties. A scheme to narrow the field to the most promising candidates would substantially reduce the high cost of this experimental screening. Such a method for determining alloy properties, called the BFS (Bozzolo, Ferrante, and Smith) method, has been developed at the NASA Lewis Research Center. This method was used to calculate the thermal stability and mechanical strength of 200 alloys of Ni3Al, with Cu and Au impurities forming ternary and quaternary compounds. With recent advances in the method, almost any metallic impurity and crystal structure can be addressed. In addition, thermal effects can be addressed with Monte Carlo techniques. At present, an experimental program is in progress to verify these results. The method identified a small number of the most promising candidates from the 200 alloys with the largest negative heat of formation and the highest bulk modulus. This calculation required only 5 min of CPU time on a VAX computer. It is clear that semi-empirical methods have achieved the level of development and reliability to warrant examining this new approach to the problem of alloy design. The present work was meant to demonstrate, perhaps in a rather simple way, this power. This type of application of atomistic simulation methods can narrow the gap and improve the feedback between theoretical predictions and laboratory experimentation.

Source record↗
DOE OSTI2021

The Multipolar Magnetic Field of the Millisecond Pulsar PSR J0030+0451

Modeling of the NICER X-ray waveform of the pulsar PSR J0030+0451, aimed at constraining the neutron star mass and radius, has inferred surface hot spots (the magnetic polar caps) that imply significantly nondipolar magnetic fields. To this end, we investigate magnetic field configurations that comprise offset dipole-plus-quadrupole components using a static vacuum field and force-free global magnetosphere models. Taking into account the compactness and observer angle values provided by Miller et al. and Riley et al., we compute geodesics from the observer plane to the polar caps to compute the resulting X-ray light curve. We explore, through Markov Chain Monte Carlo techniques, the detailed magnetic field configurations that can reproduce the observed X-ray light curve and have discovered degeneracies, i.e., diverse field configurations, which can provide sufficient descriptions of the NICER X-ray waveforms. Having obtained the force-free field structures, we then compute the corresponding synchronous γ-ray light curves following Kalapotharakos et al.; these we compare to those obtained by Fermi-LAT, to provide models consistent with both the X-ray and the γ-ray data, thereby restricting further the multipole field parameters. An essential aspect of this approach is the proper computation of the relative phase between the synchronous X- and γ-ray light curves. We conclude with a discussion of the broader implications of our study.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Characterization of partially observed epidemics through Bayesian inference: application to COVID-19

We demonstrate a Bayesian method for the "real-time'" characterization and forecasting of partially observed COVID-19 epidemic. Characterization is the estimation of infection spread parameters using daily counts of symptomatic patients.The method is designed to help guide medical resource allocation in the early epoch of the outbreak. The estimation problem is posed as one of Bayesian inference and solved using a Markov chain Monte Carlo technique. The data used in this study was sourced before the arrival of the second wave of infection in July 2020. The proposed modeling approach, when applied at the country level, generally provides accurate forecasts at the regional, state and country level. The epidemiological model detected the flattening of the curve in California, after public health measures were instituted.The method also detected different disease dynamics when applied to specific region of New Mexico

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Fission fragment decay simulations with the CGMF code

The CGMF code implements the Hauser-Feshbach statistical nuclear reaction model to follow the de-excitation of fission fragments by successive emissions of prompt neutrons and γ rays. The Monte Carlo technique is used to facilitate the analysis of complex distributions and correlations among the prompt fission observables. Starting from initial configurations for the fission fragments in mass, charge, kinetic energy, excitation energy, spin, and parity, Y(A,Z,KE,U,J,π), CGMF samples neutron and γ-ray probability distributions at each stage of the decay process, conserving energy, spin and parity. Nuclear structure and reaction input data from the RIPL3 library are used to describe fission fragment properties and decay probabilities. Characteristics of prompt fission neutrons, prompt fission γ rays, and independent fission yields can be studied consistently. Correlations in energy, angle and multiplicity among the emitted neutrons and γ rays can be easily analyzed as a function of the emitting fragments. Finally, in its current version, CGMF is limited to certain spontaneous fission reactions on Pu and Cf isotopes, as well as neutron-induced fission reactions up to 20 MeV on U, Np, and Pu isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Nucleon clustering at kinetic freezeout of heavy-ion collisions via path-integral Monte Carlo

Clustering of the four-nucleon system at kinetic freezeout conditions is studied using path-integral Monte Carlo techniques. This method seeks to improve upon previous calculations which relied on approximate semiclassical methods or few-body quantum mechanics. Estimates are given for the decay probabilities of the 4N system into various light nuclei decay channels and the strength of spatial correlations is characterized. Additionally, a simple model is presented to describe the impact of this clustering on nucleon multiplicity distributions. Additionally, the effects of a possible modification of the inter-nucleon interaction due to the close critical line (and hypothetical QCD critical point) on the clustering are also studied.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

On the Reliability of Parameter Inferences in a Multiscale Model for Transport in Stream Corridors

Nonreacting tracer tests capture information about physical processes in transient storage zones including the hyporheic zone (HZ). However, reliably extracting this information from breakthrough curves (BTCs) and distinguishing the effects of in-channel dispersion and transient storage are well-known challenges. Using BTCs from a nonreacting tracer test monitored at multiple locations, we explore ways for reliable parameter estimations. The identifiability of parameters is greatly influenced by the choice of forward and inverse modeling frameworks in addition to the quality of the data. Our forward model is a recently proposed multiscale model that uses subgrid transport models written in the Lagrangian form to represent transport along a diverse set of HZ pathways with a shape-free distribution of travel times. Joint distributions of HZ and channel parameters are estimated using the Markov Chain Monte Carlo technique. Numerical experiments show ambiguity between channel dispersion and HZ transport when the reach length is too short to allow significant solute-HZ interaction, the observation period is too brief to observe the tailing behavior, or the solute source is spread in time. In contrast, we obtained reliable parameter estimates by simultaneously fitting BTCs observed at different locations in the test reach using a single set of HZ parameters and section-specific channel areas and dispersion coefficients. Furthermore, this study demonstrates the estimation of travel time distributions, HZ exchange rates, and channel parameters in a new multiscale approach and offers guidance for extracting reliable parameter estimates from multiple BTCs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Investigating the impact of intermediate-mode perturbations on diagnosing plasma conditions in DT cryogenic implosions via synthetic x-ray Thomson scattering

The pursuit of inertial confinement fusion ignition target designs requires precise experimental validation of the conditions within imploding capsules, in particular the density and temperature of the compressed shell. Previous work has identified x-ray Thomson scattering (XRTS) as a viable diagnostic tool for inferring the in-flight compressed deuterium-tritium shell conditions during capsule implosions (Poole et al 2022 Phys. Plasmas 29 072703). However, this study focused on one-dimensional simulations, which do not account for the growth of hydrodynamic instabilities. In this work, two-dimensional DRACO simulations incorporating intermediate-mode perturbations up to Legendre mode l = 50 were used to generate synthetic XRTS spectra with the SPECT3D code. The analysis employed Markov-Chain Monte Carlo techniques to infer plasma conditions from these spectra. The results demonstrate that the XRTS diagnostic platform can effectively discern the in-flight compressed shell conditions for targets with varying adiabats, even in the presence of intermediate-mode perturbations. This work underscores the potential of XRTS for realistic inertial confinement fusion experiments, providing a robust method for probing the complex dynamics of fusion implosions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Entanglement masquerading in the CMB

The simplest single-field inflation models capture all the relevant contributions to the patterns in the Cosmic Microwave Background (CMB) observed today. A key assumption in these models is that the quantum inflationary fluctuations that source such patterns are generated by a particular quantum state — the Bunch-Davies (BD) state. While this is a well-motivated choice from a theoretical perspective, the question arises of whether current data can rule out other, also well motivated, choices of states. In particular, as we previously demonstrated in [1], entanglement is naturally and inevitably dynamically generated during inflation given the presence of a "rolling" spectator scalar field — and the resulting entangled state will yield a primordial power spectrum with potentially measurable deviations compared to the canonical BD result. For this work we developed a perturbative framework to allow a systematic exploration of constraints on (or detection of) entangled states with Planck CMB data using Monte Carlo techniques. We have found that most entangled states accessible with our framework are consistent with the data. One would have to expand the framework to allow a greater variety of entangled states in order to saturate the Planck constraints and more systematically explore any preferences the data may have among the different possibilities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Finding diverse ways to improve algebraic connectivity through multi-start optimization

The algebraic connectivity, also known as the Fiedler value, is a spectral measure of network connectivity that can be increased through edge addition. We present an algorithm for producing many diverse ways to add a fixed number of edges to a network to achieve a near optimal Fiedler value. Previous Fielder value optimization algorithms (i.e. the greedy algorithm) output only one solution. Obtaining a single solution is rarely good enough for real-world network redesign problems, as practical constraints (political, physical or financial) may prevent implementation. Our algorithm takes a multi-start optimization approach, adding a random initial edge and then applies a greedy heuristic to improve the Fiedler value. The random choice moves us to a new region of the search space, enabling discovery of diverse solutions. Additionally, we present a Determinantal Point Process framework for quantifying diversity. We then apply a Markov chain Monte Carlo technique to sift through the large number of output solutions and locate a smaller, more manageable collection of highly diverse solutions that can be presented to network redesign engineers. We demonstrate the effectiveness of our algorithm on real-world graphs with varied structures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Deep learning unresolved lensed light curves

ABSTRACT Gravitationally lensed sources may have unresolved or blended multiple images, and for time varying sources, the light curves from individual images can overlap. We use convolutional neural nets to both classify the light curves as due to unlensed, double, or quad lensed sources and fit for the time delays. Focusing on lensed supernova systems with time delays Δt ≳ 6 d, we achieve 100 per cent precision and recall in identifying the number of images and then estimating the time delays to σΔt ≈ 1 d, with a 1000× speedup relative to our previous Monte Carlo technique. This also succeeds for flux noise levels $\sim 10{{\ \rm per\ cent}}$. For Δt ∈ [2, 6] d, we obtain 94–98 per cent accuracy, depending on image configuration. We also explore using partial light curves where observations only start near maximum light, without the rise time data, and quantify the success.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Logical error rates for the surface code under a mixed coherent and stochastic circuit-level noise model inspired by trapped ions

With fault-tolerant quantum computing (FTQC) on the horizon, it is critical to understand sources of logical errors in plausible hardware implementations of quantum error-correcting codes. Detailed error modeling of computational instructions on particular FTQC architectures will enable the better prediction of error propagation in FT-encoded quantum circuits while revealing where greater attention is needed in hardware design. In this work, we consider logical error rates for the surface code implemented on a hypothetical grid-based trapped-ion quantum charge-coupled device architecture. Specifically, we construct logical channels for the idling surface code and examine its diamond error under a mixed coherent and stochastic circuit-level noise model inspired by trapped ions. We include the coherent dephasing noise that is known to accumulate during physical qubit idling and transport in these systems, determining idling and transport durations using the time-resolved output of an open-source trapped-ion surface code compiler. To estimate expectation values of logical Pauli observables following hardware circuits containing non-Clifford sources of noise, we utilize a Monte Carlo technique to sample from an underlying quasiprobability distribution of Clifford circuits that we independently simulate in a phase-sensitive fashion. We verify error suppression up to code distance 𝑑 = 11 at coherent dephasing rates near and below those of current-generation trapped-ion quantum computers and find that logical error rates align with those of analogous fully stochastic simulations in this regime. Exploring higher dephasing rates at 𝑑 = 3−5, we find evidence for growing coherent rotations about all three logical Pauli axes, increased diagonal logical error process matrix elements relative to those of stochastic simulations, and a reduced dephasing rate threshold. Overall, our work paves a way toward realistic hardware emulation of small fault-tolerant quantum processes, e.g., members of an FTQC instruction set.

Quantum benchmarking↗
DOE OSTI2022

Simultaneous stoquasticity

Stoquastic Hamiltonians play a role in the computational complexity of the local Hamiltonian problem as well as the study of classical simulability. In particular, stoquastic Hamiltonians can be straightforwardly simulated using Monte Carlo techniques. We address the question of whether two or more Hamiltonians may be made simultaneously stoquastic via a unitary transformation. This question has important implications for the complexity of simulating quantum annealing where quantum advantage is related to the stoquasticity of the Hamiltonians involved in the anneal. We find that for almost all problems no such unitary exists and show that the problem of determining the existence of such a unitary is equivalent to identifying if there is a solution to a system of polynomial (in)equalities in the matrix elements of the initial and transformed Hamiltonians. Furthermore, solving such a system of equations is NP-hard. We highlight a geometric understanding of this problem in terms of a collection of generalized Bloch vectors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Temperature-driven BCS-BEC crossover and Cooper-paired metallic phase in coupled boson-fermion systems

Motivated by strongly correlated and frustrated systems, in this work we propose an effective model that describes the dynamics of pairs of opposite spin fermions scattering from localized bosons. Integrating out one of the degrees, either the bosons or fermions, generates temperature-dependent long-range effective interactions between the entities that we investigate using Monte Carlo techniques. The behavior of bosons is dominated by vortex-antivortex unbinding, with effective interboson interactions beyond the nearest-neighbor Josephson coupling of phases. Remarkably, in the fermion sector we observe a temperature-driven phase transition from a SC phase with a “BCS” spectral function that shows a gap minimum on the underlying Fermi surface to a conducting phase of pairs but with a “BEC” spectral function with a gap minimum at k = 0. Tunneling and angle-resolved photoemission spectroscopy on Bose-Fermi mixtures in cold atomic systems and superconducting islands on graphene are some of the promising experimental platforms to test our predictions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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↗
DOE OSTI2021

Accessing tens-to-hundreds femtoseconds nuclear state lifetimes with low-energy binary heavy-ion reactions

A novel Monte Carlo technique has been developed to determine lifetimes of excited states in the tens-to-hundreds femtoseconds range in products of low-energy heavy-ion binary reactions, with complex velocity distributions. The method is based on a detailed study of Doppler-broadened γ-ray lineshapes. Its relevance is demonstrated in connection with the 18 O(7.0MeV/u)+ 181 Ta experiment, performed at GANIL with the AGATA+VAMOS+PARIS setup, to study neutron-rich O, C, N, ... nuclei. Excited states in 17 O and 19 O, with known lifetimes, are used to validate the method over the ~20-400fs lifetime-sensitivity range. Emphasis is given to the unprecedented position resolution provided by γ-tracking arrays, which turns out to be essential for reaching the required accuracy in Doppler-shift correction. The technique is anticipated to be an important tool for lifetime investigations in exotic neutron-rich nuclei, produced with intense ISOL-type beams.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

PRIME

SAND2021-0565 O PRIME is a modeling framework designed for the real-time characterization and forecasting of partially observed epidemics. The method is designed to help guide medical resource allocation in the early epoch of the outbreak. Characterization is the estimation of infection spread parameters using daily counts of symptomatic patients. The estimation problem is posed as one of Bayesian inference and solved using a Markov Chain Monte Carlo technique. The framework can accommodate multiple epidemic waves and can help identify different disease dynamics at the regional, state, and country levels. Examples are provided using publicly available COVID-19 data. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Safta, Cosmin↗
DOE OSTI2022

The Generalized Spallation Model

The Generalized Spallation Model (GSM) event generator is an advanced, robust, and scalable Fortran code developed from an extended and improved version of the earlier event generator codes CEM03.03 and LAQGSM03.03. The GSM implements its algorithms within the context of cascade exciton, particle equilibration, particle evaporation, and particle disintegration models sampled via Monte-Carlo techniques. Coalescence of particles is also considered. The GSM assumes the incident particles has sufficient energy to satisfy the assumptions utilized in the GSM. The GSM calculates reactions induced by hadrons and nuclei incident on nuclear targets at incident energies ranging from ~20 MeV up to several TeV per nucleon. Usage of GSM is recommended however for particles with incident energies exceeding ~100 MeV to ensure model-assumptions are satisfied. The GSM additionally provides its clients with sub-model libraries to allow them to model desired physics within their own physical models.

Juneau, Chase↗
DOE OSTI2025

ARCANE Reweighting Demo

ARCANE reweighting is a Monte Carlo technique for tackling the negative weights problem in simulations in high energy physics. The technique works by redistributing (via an additive reweighting) the contributions of different pathways within an event generator that lead to the same final event. The technique is exact and does not introduce any biases in the distributions of physical observables. This repository contains the code and data associated with a demonstration of ARCANE reweighting, for the generation of $e^+ e^- \longrightarrow q\bar{q} + 1\,\mathrm{jet}$ events at next-to-leading-order accuracy in perturbation theory. ARCANE reweighting was shown to almost completely eliminate the negative weights problem for this process.

Shyamsundar, Prasanth [Fermi National Accelerator ↗