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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Synthesizing pseudo-Kossel lines from neutron transmission data. I. An analytical approach for recovering single-crystal orientation

The energy-dispersive neutron spectra transmitted through single crystals are characterized by sharp Bragg dips at specific wavelengths, where Bragg's law is being fulfilled for certain crystallographic planes. This phenomenon allows for developing methods for crystal-orientation determination techniques similar to electron backscatter diffraction and X-ray diffraction microscopy. This work presents a new procedure to recover the orientation matrix for single crystals using transmission spectra recorded during rotation of a crystal about an axis perpendicular to a polychromatic neutron beam. The proposed method consists of an initial transformation of the as-collected wavelength–rotation maps to a wavevector $\textit{K}$ space, resulting in linear pseudo-Kossel lines that are suitable for analysis and indexing using image-processing procedures. Further, simulated neutron transmission spectra through a copper crystal with known orientations were used to set and prove the numerical approach. This technique may be expanded for cases where the neutron beam intersects multiple single-crystal grains with different orientations.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Particle Acceleration and Pitch-angle Evolution in Relativistic Turbulence

Synchrotron radiation detected from relativistic astrophysical objects such as pulsar-wind nebulae and jets from active galactic nuclei depends on the magnetic fields and the distribution functions of energetic electrons in these systems. Relativistic magnetically dominated turbulence has been recognized as an efficient mechanism for structure formation and nonthermal particle acceleration in these environments. Recent numerical simulations of relativistic turbulence have provided insights into the energy distribution functions of accelerated electrons. Much less is currently understood about their pitch angle distributions, which are crucial for accurately interpreting the spectra of synchrotron radiation. We perform a detailed case study of the pitch angle distributions formed during the process of turbulent acceleration for B 0 /δB 0 = 10 and $\tilde{σ}$ 0 ~40, where B0 is the uniform component of the magnetic field, δB0 is the fluctuating component, and $\tilde{σ}$ 0 is the plasma magnetization based on the magnetic fluctuations. We find that even minimal numerical noise can cause substantial pitch angle scattering, but we demonstrate techniques for overcoming the numerical challenges associated with the evolution of very small pitch angles. Our numerical results are consistent with the phenomenological considerations found in C. Vega et al. (2024a, 2025).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Universality in asymptotic bounds and its saturation in 2D CFT

We study asymptotics of three point coefficients (light-light-heavy) and two point correlators in heavy states in unitary, compact 2D CFTs. We prove an upper and lower bound on such quantities using numerically assisted Tauberian techniques. We obtain an optimal upper bound on the spectrum of operators appearing with fixed spin from the OPE of two identical scalars. While all the CFTs obey this bound, rational CFTs come close to saturating it. This mimics the scenario of bounds on asymptotic density of states and thereby pronounces an universal feature in asymptotics of 2D CFTs. Next, we clarify the role of smearing in interpreting the asymptotic results pertaining to considerations of eigenstate thermalization in 2D CFTs. In the context of light-light-heavy three point coefficients, we find that the order one number in the bound is sensitive to how close the light operators are from the $\frac{c}{32}$ threshold. In context of two point correlator in heavy state, we find the presence of an enigmatic regime which separates the AdS 3 thermal physics and the BTZ black hole physics. Furthermore, we present some new numerical results on the behaviour of spherical conformal block.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Full wave modeling of radio-frequency beams in tokamaks in the electron cyclotron frequency range

Simulation of full wave, without paraxial approximation, high-resolution solution of wave equations in frequency domain in the electron cyclotron resonance (ECR) frequency range for realistic Tokamak plasma parameters became possible by using recently formulated hybrid iterative algorithm [Svidzinski et al., Phys. Plasmas 25, 082509 (2018)] for numerically solving discretized wave equations. This approach combines time evolution and iterative relaxation techniques into iteration cycles. This algorithm is implemented in 2D code FullWave, solving wave equations in Tokamaks in cold and hot plasma models, and it has been tested in 3D full wave iterative RF beams simulation tool, which is presently being developed to model 3D ECRH RF beams in fusion devices using dynamic grid adaptation. The results of 2D full wave modeling, assuming specified toroidal mode number, of ECRH RF beams in DIII-D plasma, performed in the cold and hot plasma models for outboard and top launch scenarios using FullWave are presented. Nonlocal hot plasma response model, based on accurate numerical solution of linearized Vlasov equation, is used to model beam propagation and absorption in the 2nd electron cyclotron harmonic region. Demonstration of capability of the hybrid iterative algorithm to model ECRH RF beams in 3D is made by simulating a substantial part of realistic beam in DIII-D, launched from outboard side of the machine. All relevant physics of RF beam propagation, most of which is not captured in paraxial approximation, such as beam's divergence, interference between the X and O modes in the beam, X-O mode conversion, beam splitting into the X and O mode beams, transformation of beam's cross section, and absorption at the 2nd electron cyclotron harmonic, is captured in the simulations. A numerical technique to find an optimal beam polarization at the launcher to launch a nearly pure X or O mode beam in plasma is developed and tested.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Risk-Averse Bi-Level Stochastic Network Interdiction Model for Cyber-Security Risk Management

Security of cyber networks is crucial; recent severe cyber-attacks have had a devastating effect on many large organizations. The attack graph, which maps the potential attack paths of a cyber network, is a popular tool for analyzing cyber system vulnerability. In this study, we propose a bi-level stochastic network interdiction model on an attack graph to enable a risk-averse, resource constrained cyber network defender to optimally deploy security countermeasures that protect against attackers with an uncertain budget. This risk- averse conditional-value-at-risk (CVaR) model minimizes a weighted sum of the expected maximum loss over all scenarios and the expected maximum loss from the most damaging attack scenarios. We develop a customized constraint and column generation algorithm to solve our model as well as several acceleration techniques to improve the computational efficiency. Numerical experiments demonstrate that the acceleration techniques enable the solution of relatively large problems within a reasonable amount of time: applying all the acceleration techniques also reduces the average computation time of the basic algorithm by 71% for 100-node graphs. Using metrics called mean-risk value of stochastic solution and value of risk-aversion, computational results suggest that our stochastic risk-averse model significantly outperforms deterministic and risk-neutral models when 1) the distribution of attacker budget is heavy-right-tailed and 2) the defender is highly risk-averse.

Bhuiyan, Tanveer H.↗
DOE OSTI2020

Neutronic impact of Autonomous Reactivity Control system inclusion in a breed-and-burn core

This work examines the impacts induced in a large breed-and-burn core through the inclusion of Autonomous Reactivity Control (ARC) systems from the neutronics perspective. A combination of numerical and analytical techniques are used to conservatively quantify the reactivity penalty, amount of additional tritium production, and depletion of the system absorber fluid. The reactivity penalty is found to be negligibly small, with the largest impact resulting from the removal of fuel material to make room for the ARC system tubes. Similarly, the depletion of the absorber fluid is found to be negligible compared to the amount of fluid present. It is found that the production of tritium within the active core is also small in comparison to that which is nominally produced, while tritium production within the lower ARC system reservoir may be of concern if not adequately considered during the assembly design phase. This issue is explored and a mitigation technique is proposed. Ultimately this study concludes that there are no issues from the steady-state neutronics perspective preventing incorporation of ARC systems into typical breed-and-burn cores.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Scaling Field-Theoretic Simulation for Multicomponent Mixtures with Neural Operators

Multicomponent polymer mixtures are ubiquitous in biological self-organization but are notoriously difficult to study computationally. Plagued by both slow single molecule relaxation times and slow equilibration within dense mixtures, molecular dynamics simulations are typically infeasible at the spatial scales required to study the stability of mesophase structure. Polymer field theories offer an attractive alternative, but analytical calculations are only tractable for mean-field theories and nearby perturbations, constraints that become especially problematic for fluctuation-induced effects such as coacervation. Here, we show that a recently developed technique for obtaining numerical solutions to partial differential equations based on operator learning, neural operators, lends itself to a highly scalable training strategy by parallelizing per-species operator maps. We illustrate the efficacy of our approach on six-component mixtures with randomly selected compositions and that it significantly outperforms the state-of-the-art pseudospectral integrators for field-theoretic simulations, especially as polymer lengths become long.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Three-dimensional atomic structure and local chemical order of medium- and high-entropy nanoalloys

Medium- and high-entropy alloys (M/HEAs) mix several principal elements with near-equiatomic composition and represent a model-shift strategy for designing previously unknown materials in metallurgy, catalysis and other fields. One of the core hypotheses of M/HEAs is lattice distortion, which has been investigated by different numerical and experimental techniques. However, determining the three-dimensional (3D) lattice distortion in M/HEAs remains a challenge. Moreover, the presumed random elemental mixing in M/HEAs has been questioned by X-ray and neutron studies, atomistic simulations, energy dispersive spectroscopy and electron diffraction, which suggest the existence of local chemical order in M/HEAs. However, direct experimental observation of the 3D local chemical order has been difficult because energy dispersive spectroscopy integrates the composition of atomic columns along the zone axes and diffuse electron reflections may originate from planar defects instead of local chemical order. Here, in this work, we determine the 3D atomic positions of M/HEA nanoparticles using atomic electron tomography and quantitatively characterize the local lattice distortion, strain tensor, twin boundaries, dislocation cores and chemical short-range order (CSRO). We find that the high-entropy alloys have larger local lattice distortion and more heterogeneous strain than the medium-entropy alloys and that strain is correlated to CSRO. We also observe CSRO-mediated twinning in the medium-entropy alloys, that is, twinning occurs in energetically unfavoured CSRO regions but not in energetically favoured CSRO ones, which represents, to our knowledge, the first experimental observation of correlating local chemical order with structural defects in any material. We expect that this work will not only expand our fundamental understanding of this important class of materials but also provide the foundation for tailoring M/HEA properties through engineering lattice distortion and local chemical order.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Turbulent field fluctuations in gyrokinetic and fluid plasmas

A key uncertainty in the design and development of magnetic confinement fusion energy reactors is predicting edge plasma turbulence. An essential step in overcoming this uncertainty is the validation in accuracy of reduced turbulent transport models. Drift-reduced Braginskii two-fluid theory is one such set of reduced equations that has for decades simulated boundary plasmas in experiment, but significant questions exist regarding its predictive ability. To this end, using a novel physics-informed deep learning framework, we demonstrate the first ever direct quantitative comparisons of turbulent field fluctuations between electrostatic two-fluid theory and electromagnetic gyrokinetic modeling with good overall agreement found in magnetized helical plasmas at low normalized pressure. This framework presents a new technique for the numerical validation and discovery of reduced global plasma turbulence models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Simulations of muon imaging with the LANL GMT detector for spent nuclear fuel cask content verification

Atmospheric muons are typically high energy, highly penetrating charged particles. They interact with matter primarily through multiple Coulomb scatterings. Muon scattering intensities can be used to characterize the density and atomic number of the matter that they pass through. Previously, the Los Alamos National Laboratory (LANL) muon tomography team performed muon imaging of the partially filled MC-10 spent nuclear fuel (SNF) cask at Idaho National Laboratory (INL). This experiment demonstrated the feasibility of muon imaging for the verification of spent fuel container contents. That original effort used the mini muon tracker array, consisting of two arrays of drift tubes on either side of the SNF cask. The reconstructed image quality was limited by statistics, largely due to low muon flux at high zenith angles. A LANL led team will perform new measurements with a larger array, the Giant Muon Tracker (GMT), to improve data collection rates and statistics. In this work, simulations were performed with the GMT near the partially filled INL MC-10 cask. For more general fuel diversion detection, a full MC-10 cask and casks with a singular missing fuel bundle were also simulated. To understand minimum measurement times needed for missing bundle identification, 100 000 to millions of tracked muons (corresponding to 1.4 days to several weeks measurement time) were analyzed. Simulated images were then analyzed visually and numerically to explore techniques designed to minimize the collection time needed to identify the diversion of fuel in each scenario.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Learning a general model of single phase flow in complex 3D porous media

Modeling effective transport properties of 3D porous media, such as permeability, at multiple scales is challenging as a result of the combined complexity of the pore structures and fluid physics—in particular, confinement effects which vary across the nanoscale to the microscale. While numerical simulation is possible, the computational cost is prohibitive for realistic domains, which are large and complex. Although machine learning (ML) models have been proposed to circumvent simulation, none so far has simultaneously accounted for heterogeneous 3D structures, fluid confinement effects, and multiple simulation resolutions. By utilizing numerous computer science techniques to improve the scalability of training, we have for the first time developed a general flow model that accounts for the pore-structure and corresponding physical phenomena at scales from Angstrom to the micrometer. Using synthetic computational domains for training, our ML model exhibits strong performance (R 2 = 0.9) when tested on extremely diverse real domains at multiple scales.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Scrambling and operator entanglement in local non-Hermitian quantum systems

The breakdown of Lieb-Robinson bounds in local, non-Hermitian quantum systems opens up the possibility for a rich landscape of quantum many-body phenomenology. We elucidate this by studying information scrambling and quantum chaos in non-Hermitian variants of paradigmatic local quantum spin-chain models. We utilize a mixture of exact diagonalization and tensor network techniques for our numerical results and focus on three dynamical quantities: (i) out-of-time-ordered correlators (OTOCs), (ii) operator entanglement of the dynamics, and (iii) entanglement growth following a quench from product initial states. We show that while OTOCs fail to capture information scrambling in a simple, local, non-Hermitian transverse-field Ising model, the closely related operator entanglement is a robust measure of dynamical properties of interest. Moreover, we show that the short-time growth of operator entanglement can generically detect entanglement phase transitions in these systems while its long-time average is shown to be a reliable indicator of quantum chaos and entanglement phases. This allows us to extend operator entanglement-based diagnostics from previous works on closed and open quantum systems, to the new arena of monitored quantum dynamics. Finally, we remark on the efficacy of these dynamical quantities in detecting integrability/chaos in the presence of continuous monitoring.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Mitigating the Sign Problem through Basis Rotations

Quantum Monte Carlo simulations of quantum many-body systems are plagued by the Fermion sign problem. The computational complexity of simulating Fermions scales exponentially in the projection time β and system size. The sign problem is basis dependent and an improved basis, for fixed errors, leads to exponentially quicker simulations. Herein, we show how to use sign-free quantum Monte Carlo simulations to optimize over the choice of basis on large two-dimensional systems. We numerically illustrate these techniques decreasing the “badness” of the sign problem by optimizing over single-particle basis rotations on one- and two-dimensional Hubbard systems. We find a generic rotation which improves the average sign of the Hubbard model for a wide range of U and densities for L×4 systems. In one example improvement, the average sign (and hence simulation cost at fixed accuracy) for the 16×4 Hubbard model at U/t=4 and n=0.75 increases by exp[8.64(6)β]. For typical projection times of β ≳ 100, this accelerates such simulation by many orders of magnitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Temporal contrast degradation from mid-spatial-frequency surface error on stretcher mirrors

Temporal contrast degradation due to mid-spatial-frequency error in chirped-pulse amplification stretcher optics is studied. Third-order cross-correlation measurements reveal a temporal peak that appears when using two different mirrors processed by magnetorheological finishing, despite an improvement in rms roughness compared to a third unprocessed mirror. Simulations based on measured power spectral density show how the actual impact on contrast is different from measurements using a typical bandwidth-limited third-order cross correlator. Furthermore, strategies are proposed to avoid this type of contrast degradation while exploiting computer numerically controlled polishing techniques for enhancement of surface figure and roughness.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Navigator function for the conformal bootstrap

Current numerical conformal bootstrap techniques carve out islands in theory space by repeatedly checking whether points are allowed or excluded. We propose a new method for searching theory space that replaces the binary information "allowed"/"excluded" with a continuous "navigator" function that is negative in the allowed region and positive in the excluded region. Such a navigator function allows one to efficiently explore high-dimensional parameter spaces and smoothly sail towards any islands they may contain. The specific functions we introduce have several attractive features: they are well-defined in large regions of parameter space, can be computed with standard methods, and evaluation of their gradient is immediate due to an SDP gradient formula that we provide. The latter property allows for the use of efficient quasi-Newton optimization methods, which we illustrate by navigating towards the 3d Ising island.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

HFTS-2 (Final Report)

This report delves into the research program, identified tasks, various studies, observations, results, and conclusions under the Hydraulic Fracturing Test Site (HFTS-2) project. This test site is located in Loving County close to the Texas, New Mexico border. The program targeted the Wolfcamp formation in Delaware Basin. The aim of the project was to improve our understanding of hydraulic fracturing processes to not only optimize unconventional resource development in US Basins but to minimize environmental footprint as well. Various new diagnostic technologies were demonstrated at this site, including distributed acoustic microseismic, high resolution strain using Rayleigh frequency band (DSS-RFS), and in-fill proppant logging tool. Significant conclusions from this study include: 1) lateral and vertical fracture growth mapping as well as proppant transport behavior, 2) Use of DSS-RFS as a diagnostic tool to understand cluster level behavior, 3) Validation of proppant log, both at core scale as well as in-fill well implementation, and 4) New modeling tools to map far-field strain response using distributed strain sensing data. Specifically, far-field fracture distribution is influenced by linear fracture corridors defined by the stress-state as well as clustering behavior influenced by spatio-temporal effects. Depletion impacts on new stimulation was demonstrated and technically quantified. Significant vertical fracture height growth was observed. However, our understanding is limited by available gauge data availability. Numerical strain modeling techniques have been developed and demonstrated to help understand observed strain response behavior. Finally, proppant log has been further validated as a useful tool to map propped zones within the SRV. It has also shown very strong correlation with observed drawdown behavior at this test site. This report will detail many of these studies as well as technical results and conclusions from said studies. These include general subsurface characterization work, completion designs as implemented, studies looking at fracture geometry, high resolution microseismic study including source mechanisms, advanced DSS-RFS studies including drainage characterization, core characterization results, proppant analysis (core and in-fill child well), geochemistry, etc.

02 PETROLEUM↗
DOE OSTI2023

Exploring the Dynamics of Transverse Inter-planar Coupling in the SC Section of the PIP-II Linac

This study investigates the crucial role that an accurate understanding of inter-planar coupling in the transverse plane plays in regulating charged particle dynamics in a high-intensity linear accelerator and minimizing foil/septum impacts during injection from the linac to a ring. We in-depth analyze the emergence and evolution of transverse inter-planar coupling through multiple active lattice elements, taking into account space charge and field nonlinearities in the superconducting section of the PIP-II linac. The article compares various analytical, numerical, and experimental techniques for measuring transverse coupling using beam and lattice matrices and provides insight into effective strategies for its mitigation prior to ring injection.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Learning a General Model of Single Phase Flow in Complex 3D Porous Media

Modeling effective transport properties of 3D porous media, such as permeability, at multiple scales is challenging as a result of the combined complexity of the pore structures and fluid physics—in particular, confinement effects which vary across the nanoscale to the microscale. While numerical simulation is possible, the computational cost is prohibitive for realistic domains, which are large and complex. Although machine learning (ML) models have been proposed to circumvent simulation, none so far has simultaneously accounted for heterogeneous 3D structures, fluid confinement effects, and multiple simulation resolutions. By utilizing numerous computer science techniques to improve the scalability of training, we have for the first time developed a general flow model that accounts for the pore-structure and corresponding physical phenomena at scales from Angstrom to the micrometer. Using synthetic computational domains for training, our ML model exhibits strong performance (R 2 = 0.9) when tested on extremely diverse real domains at multiple scales.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗