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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Simulation of Particle-Material Interactions

This paper gives an overview of the particle transport theory essentials, the basics of particle-material interaction simulation, physical quantities needed to simulate particle transport and interactions in materials, Monte Carlo simulation flow, response of additive detectors, statistical weights and other techniques to minimize statistical errors. Effects in materials under irradiation, materials response related to component lifetime and performance are considered with a focus on high-energy and high-power accelerator applications. Implementation of simulation of particle-material interactions in the modern Monte Carlo codes along with the code s main features and results of recent benchmarking are described.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Analysis of the multicomponent relativistic Boltzmann equation for electron scattering in big bang nucleosynthesis

Big-bang nucleosynthesis (BBN) is valuable as a means to constrain the physics of the early universe and it is the only probe of the radiation-dominated epoch. A fundamental assumption in BBN is that the nuclear velocity distributions obey Maxwell-Boltzmann (MB) statistics as they do in stars. Specifically, the BBN epoch is characterized by a dilute baryon plasma for which the velocity distribution of nuclei is mainly determined by the dominant Coulomb elastic scattering with mildly relativistic electrons. One must therefore deduce the momentum distribution for reacting nuclei from the multicomponent relativistic Boltzmann equation. However, the full multicomponent relativistic Boltzmann equation has only recently been analyzed and its solution has only been worked out in special cases. Moreover, a variety of schemes have been proposed that introduce nonthermal components into the BBN environment which can alter the thermal distribution of reacting nuclei. Here, we construct the relativistic Boltzmann equation in the context of BBN. We also derive a Langevin model and perform relativistic Monte-Carlo simulations which clarify the baryon distribution during BBN and can be used to analyze any relaxation from a nonthermal injection. Further, we show by these analyses that the thermalization process leads to a nuclear distribution function that remains very close to MB statistics even during the most relativistic environment relevant to BBN. Hence, the predictions of standard BBN remain unchanged.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

Second quantization in bit-string physics

Using a new fundamental theory based on bit-strings, a finite and discrete version of the solutions of the free one particle Dirac equation as segmented trajectories with steps of length h/mc along the forward and backward light cones executed at velocity +/- c are derived. Interpreting the statistical fluctuations which cause the bends in these segmented trajectories as emission and absorption of radiation, these solutions are analogous to a fermion propagator in a second quantized theory. This allows us to interpret the mass parameter in the step length as the physical mass of the free particle. The radiation in interaction with it has the usual harmonic oscillator structure of a second quantized theory. How these free particle masses can be generated gravitationally using the combinatorial hierarchy sequence (3,10,137,2(sup 127) + 136), and some of the predictive consequences are sketched.

Noyes, H. Pierre↗
NASA NTRS1988

Heterogeneous physicochemistry of the winter polar stratosphere

Present chemical theories of the Antarctic ozone hole assume that heterogeneous reactions involving polar stratospheric clouds (PSCs) are the precursor of springtime ozone depletions. However, none of the theories quantify the rates of proposed heterogeneous processed, and none utilize the extensive data base on PSC's. Thus, all of the theories must be considered incomplete until the heterogeneous mechanisms are properly defined. A unified treatment developed of the cloud related processes, both physical and chemical, and the importance of these processes using observation data is calibrated. The rates are compared competitive heterogeneous processes to place reasonable limits on critical mechanisms such as the denitrification and dechlorination of the polar winter stratosphere. Among the subjects addressed here are the physical/chemical properties of PSC's including their relevant microphysical, optical and compositional characteristics, mass transfer rates of gaseous constituents to cloud particles, adsorption, accommodation and sticking coefficients on cloud particles, time constants for condensation, absorption and other microphysical processes, effects of solubility and vapor pressure on cloud composition, the statistics of cloud processing of chemically active condensible species, rate limiting steps in heterogeneous chemical reactions, and the nonlinear dependence of ozone loss on physical and chemical parameters.

Turco, R. P.↗
DOE OSTI2016

Imprints of massive primordial fields on large-scale structure

Attention has focussed recently on models of inflation that involve a second or more fields with a mass near the inflationary Hubble parameter H, as may occur in supersymmetric theories if the supersymmetry-breaking scale is not far from H. Quasi-single-field (QsF) inflation is a relatively simple family of phenomenological models that serve as a proxy for theories with additional fields with masses m∼ H. Since QsF inflation involves fields in addition to the inflaton, the consistency conditions between correlations that arise in single-clock inflation are not necessarily satisfied. As a result, correlation functions in the squeezed limit may be larger than in single-field inflation. Scalar non-Gaussianities mediated by the massive isocurvature field in QsF have been shown to be potentially observable. These are especially interesting since they would convey information about the mass of the isocurvature field. Here we consider non-Gaussian correlators involving tensor modes and their observational signatures. A physical correlation between a (long-wavelength) tensor mode and two scalar modes (tss), for instance, may give rise to local departures from statistical isotropy or, in other words, a non-trivial four-point function. The presence of the tensor mode may moreover be inferred geometrically from the shape dependence of the four-point function. We compute tss and stt (one soft curvature mode and two hard tensors) bispectra in QsF inflation, identifying the conditions necessary for these to 'violate' the consistency relations. We find that while consistency conditions are violated by stt correlations, they are preserved by the tss in the minimal QsF model. Our study of primordial correlators which include gravitons in seeking imprints of additional fields with masses m∼ H during inflation can be seen as complementary to the recent ''cosmological collider physics'' proposal.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Excursion Processes Associated with Elliptic Combinatorics

Researching elliptic analogues for equalities and formulas is a new trend in enumerative combinatorics which has followed the previous trend of studying q-analogues. Recently Schlosser proposed a lattice path model in the square lattice with a family of totally elliptic weight-functions including several complex parameters and discussed an elliptic extension of the binomial theorem. In the present paper, we introduce a family of discrete-time excursion processes on ℤ starting from the origin and returning to the origin in a given time duration 2T associated with Schlosser’s elliptic combinatorics. The processes are inhomogeneous both in space and time and hence expected to provide new models in non-equilibrium statistical mechanics. By numerical calculation we show that the maximum likelihood trajectories on the spatio-temporal plane of the elliptic excursion processes and of their reduced trigonometric versions are not straight lines in general but are nontrivially curved depending on parameters. We analyze asymptotic probability laws in the long-term limit T→∞ for a simplified trigonometric version of excursion process. Emergence of nontrivial curves of trajectories in a large scale of space and time from the elementary elliptic weight-functions exhibits a new aspect of elliptic combinatorics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Equations of State in Computational Physics: What, Why, and How

Summary: 1. Equations of state furnish thermodynamic properties of a material. 2. Usually involve P, p (or V), and T, or P, r, and E 3. Necessary ingredient to solve compressible flow problems. 4. Varieties: i. Analytical expressions (ideal gas, Grüneisen) – fast, convenient for verification and test problems ii. Graphs and charts – good for hand calculations iii. Tables and databases – generally most accurate, require interpolation i. Steam tables ii. NIST database iii. SESAME EOS Library 5. Constructed by using semi-empirical models from Statistical Mechanics and fitting to available data

36 MATERIALS SCIENCE↗
DOE OSTI2025

Data Selection Improvement For MicroBooNE

Data selection is an extremely important part of data analysis for any experiment. Finding a physics result is often the result of sifting through a massive amount of data, keeping data that we believe to be signal, and throwing out data we do not. This process is called data selection. Creating a selection algorithm is an intensive process that must balance keeping enough data to have statistics and maximizing the signal purity of that data. We also need to choose the right reconstruction method, a tool to take raw data from the detector and convert it into physics results. In this study, we used three different reconstruction tools, Pandora, WireCell, and LANTERN, for the MicroBooNE experiment in conjunction to improve the selection algorithm for analysis. For the case of this study, we look into the charged current N proton 0 pions (CCNp0$\pi$) interaction channel. This is the dominant channel for the Short Baseline Neutrino (SBN) program and is expected to be a large contributor to the Deep Underground Neutrino Experiment (DUNE). We first investigated each of the three tools to find out more about their strengths and weaknesses as reconstructions, and compared them to the truth information directly from the MicroBooNE simulation pipeline. We then put together a direct comparison of the three methods to find which method or combination of methods would return the best result for us. While the study is ongoing, we have learned a lot about data selection for the experiment and the differences between the reconstruction tools.

Dillon, Brayden [Fermilab]↗
DOE OSTI2015

Statistics of time delay and scattering correlation functions in chaotic systems. II. Semiclassical approximation

We consider S-matrix correlation functions for a chaotic cavity having M open channels, in the absence of time-reversal invariance. Relying on a semiclassical approximation, we compute the average over E of the quantities Tr[S{sup †}(E − ϵ) S(E + ϵ)]{sup n}, for general positive integer n. Our result is an infinite series in ϵ, whose coefficients are rational functions of M. From this, we extract moments of the time delay matrix Q = − iħS{sup †}dS/dE and check that the first 8 of them agree with the random matrix theory prediction from our previous paper [M. Novaes, J. Math. Phys. 56, 062110 (2015)].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Methodology for physics-informed generation of synthetic neutron time-of-flight measurement data

Accurate neutron cross section data are a vital input to the simulation of nuclear systems for a wide range of applications from energy production to national security. The evaluation of experimental data is a key step in producing accurate cross sections. There is a widely recognized lack of reproducibility in the evaluation process due to its artisanal nature and therefore there is a call for improvement within the nuclear data community. This can be realized by automating/standardizing viable parts of the process, namely, parameter estimation by fitting theoretical models to experimental data. This automation effort could greatly benefit from a synthetic data resource. This work leverages problem-specific physics, Monte Carlo sampling, and a general methodology for data synthesis to generate unlimited, labelled experimental cross-section data that is statistically indistinguishable to the observed data. Heuristic and, where applicable, rigorous statistical comparisons to observed data support this claim. The demonstration is based on/limited to transmission measurements at Rensselaer Polytechnic Institute (RPI) and energy-differential cross sections in the resolved resonance region (RRR). An open-source software is published alongside this article that executes the complete methodology to produce high-utility synthetic datasets. The goal of this work is to provide an approach and corresponding tool that will allow the evaluation community to begin exploring more data-driven, ML-based solutions to long-standing challenges in the field.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Diabatic paths through the scission point in nuclear fission

An outstanding problem in the theory of nuclear fission is to understand the Hamiltonian dynamics at the scission point. In this work the fissioning nucleus is modeled in self-consistent mean-field theory as a set of generator coordinate method (GCM) configurations passing through the scission point. In contrast to previous methods, the configurations are constructed in the Hartree-Fock approximation with axially symmetric mean fields and using the K -partition numbers as additional constraints. The goal of this work is to find paths through the scission point where the overlaps between neighboring configurations are large. A measure of distance along the path is proposed that is insensitive to the division of the path into short segments. For most of the tested K partitions two shape degrees of freedom are adequate to define smooth paths. However, some of the configurations and candidate paths have sticking points where there are substantial changes in the many-body wave function, especially if quasiparticle excitations are present. The excitation energy deposited in fission fragments arising from thermal excitations in the pre-scission configurations is determined by tracking orbital occupation numbers along the scission paths. This allows us to assess the validity of the well-known scission-point statistical model, in which the scission process is assumed to be fully equilibrated up to the separated fission fragments. The nucleus 236 U is taken as a representative example in the calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2008

Comparison of CERES-MODIS Stratus Cloud Properties with Ground-Based Measurements at the DOE ARM Southern Great Plains Site

Overcast stratus cloud properties derived for the Clouds and the Earth's Radiant Energy system (CERES) Project using Terra and Aqua Moderate Resolution Imaging Spectroradiometer (MODIS) data are compared with observations taken at the Atmospheric Radiation Measurement (ARM) Southern Great Plains site from March 2000 through December 2004. Retrievals from ARM surface-based data were averaged over a 1-hour interval centered at the time of each satellite overpass, and the CERES-MODIS cloud properties were averaged within a 30-km x 30 km box centered on the ARM SGP site. Two datasets were analyzed: all of the data (ALL) which include multilayered, single-layered, and slightly broken stratus decks and a subset, single-layered unbroken decks (SL). The CERES-MODIS effective cloud heights were determined from effective cloud temperature using a lapse rate method with the surface temperature specified as the 24-h mean surface air temperature. For SL stratus, they are, on average, within the ARM radar-lidar estimated cloud boundaries and are 0.534 +/- 0.542 km and 0.108 +/- 0.480 km lower than the cloud physical tops and centers, respectively, and are comparable for day and night observations. The mean differences and standard deviations are slightly larger for ALL data, but not statistically different to those of SL data. The MODIS-derived effective cloud temperatures are 2.7 +/- 2.4 K less than the surface-observed SL cloud center temperatures with very high correlations (0.86-0.97). Variations in the height differences are mainly caused by uncertainties in the surface air temperatures, lapse rates, and cloud-top height variability. The biases are mainly the result of the differences between effective and physical cloud top, which are governed by cloud liquid water content and viewing zenith angle, and the selected lapse rate, -7.1 K km(exp -1). Based on a total of 43 samples, the means and standard deviations of the differences between the daytime Terra and surface retrievals of effective radius r(sub e), optical depth, and liquid water path for SL stratu are 0.1 +/- 1.9 micrometers (1.2 +/- 23.5%), -1.3 +/- 9.5 (-3.6 +/-26.2%), and 0.6 +/- 49.9 gm (exp -2) (0.3 +/- 27%), respectively, while the corresponding correlation coefficients are 0.44, 0.87, and 0.89. For Aqua, they are 0.2 +/- 1.9 micrometers (2.5 +/- 23.4%), 2.5 +/- 7.8 (7.8 +/- 24.3%), and 28.1 +/- 52.7 gm (exp -2) (17.2 +/- 32.2%), as well as 0.35, 0.96, and 0.93 from a total of 21 cases. The results for ALL cases are comparable. Although a bias in R(sub e) was expected because the satellite retrieval of effective radius only represents the top of the cloud, the surface-based radar retrievals revealed that the vertical profile of r(sub e) is highly variable with smaller droplets occurring at cloud top in some cases. The larger bias in optical depth and liquid water path for Aqua is due, at least partially, to differences in the Terra and Aqua MODIS visible channel calibrations. methods for improving the cloud-top height and microphysical property retrievals are suggested.

Dong, Xiquan↗
DOE OSTI2018

Nanofiber-Based Total Internal Reflection Microscopy for Characterizing Colloidal Systems at the Microscale

Bulk colloidal interactions are dictated by the physical properties of individual particles dispersed in solution. However, for many applications it remains challenging to predict system-level colloidal behavior. Comprehensive characterization typically requires disparate techniques that can observe correlations between microscale particle–surface interactions and physical properties of the particles. In this work, we present a unique tin dioxide (SnO2) nanofiber-based total internal reflection microscopy (TIRM) method to efficiently characterize colloidal behavior as a function of particle-level properties in complex fluidic conditions. We develop and model the device physics to understand the physical underpinnings of the raw device data and then use these models to design proof-of-concept experiments to verify device function. Statistical trends in the data collected from a nominal system of 80 nm gold nanoparticles correspond to theoretical predictions as we vary key design parameters such as particle size, surface charge, and solution ionic strength. Lastly, we consider the practical limitations of the technique gleaned from our studies and offer suggestions for utilizing the platform to quantitatively analyze nonideal colloidal systems with distributed or heterogeneous system parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Evaluation of an efficient statistical transport model for turbulent droplet dispersion in dilute combusting sprays

Evaluation of an efficient statistical transport model for turbulent droplet dispersion is made for a dilute spray of methanol droplets injected into a turbulent, axisymmnetric methane-fuelled diffusion flame burning in stagnant air. In the dispersion model, a computational parcel representing a group of physical particles (droplets) is considered to have a normal probability density function (pdf) in space. The mean is determined by Lagrangian tracking through a sequence of stochastically generated turbulent eddies and the variance is evaluated from a statistical formulation based on the linearized particle equations of motion. The basic validity of this model is established through comparison with available experimental data and with theoretical predictions using a conventional stochastic direct modeling approach. The conclusion of the evaluation is that the proposed dispersion model compares favorably with experimental data and provides a valid technique for simulating turbulent combusting sprays with significant computational savings over conventional methods.

Litchford, Ron J.↗
DOE OSTI2021

Overview of the Tolerance Limit Calculations with Application to TSURFER

To establish confidence in the results of computerized physics models, a key regulatory requirement is to develop a scientifically defendable process. The methods employed for confidence, characterization, and consolidation, or C3, are statistically involved and are often accessible only to avid statisticians. This manuscript serves as a pedagogical presentation of the C3 process to all stakeholders—including researchers, industrial practitioners, and regulators—to impart an intuitive understanding of the key concepts and mathematical methods entailed by C3. The primary focus is on calculation of tolerance limits, which is the overall goal of the C3 process. Tolerance limits encode the confidence in the calculation results as communicated to the regulator. Understanding the C3 process is especially critical today, as the nuclear industry is considering more innovative ways to assess new technologies, including new reactor and fuel concepts, via an integrated approach that optimally combines modeling and simulation and minimal targeted validation experiments. This manuscript employs intuitive, analytical, numerical, and visual representations to explain how tolerance limits may be calculated for a wide range of configurations, and it also describes how their values may be interpreted. Various verification tests have been developed to test the calculated tolerance limits and to help delineate their values. The manuscript demonstrates the calculation of tolerance limits for TSURFER, a computer code developed by the Oak Ridge National Laboratory for criticality safety applications. The goal is to evaluate the tolerance limit for TSURFER-determined criticality biases to support the determination of upper, subcritical limits for regulatory purposes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Identification and in Vivo Evaluation of Liver X Receptor β-Selective Agonists for the Potential Treatment of Alzheimer’s Disease

Herein, we describe the development of a functionally selective liver X receptor β (LXRβ) agonist series optimized for Emax selectivity, solubility, and physical properties to allow efficacy and safety studies in vivo. Compound 9 showed central pharmacodynamic effects in rodent models, evidenced by statistically significant increases in apolipoprotein E (apoE) and ATP-binding cassette transporter levels in the brain, along with a greatly improved peripheral lipid safety profile when compared to those of full dual agonists. These findings were replicated by subchronic dosing studies in non-human primates, where cerebrospinal fluid levels of apoE and amyloid-β peptides were increased concomitantly with an improved peripheral lipid profile relative to that of nonselective compounds. Lastly, these results suggest that optimization of LXR agonists for Emax selectivity may have the potential to circumvent the adverse lipid-related effects of hepatic LXR activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

New physics in single resonant top quarks

Abstract Searches for new physics in the top quark sector are of great theoretical interest, yet some powerful avenues for discovery remain unexplored. We characterize the expected statistical power of the LHC dataset to constrain the single production of heavy top partnersTdecaying to a top quark and a photon or a top quark and a gluon. We describe an effective interaction which could generate such production, though the limits apply to a range of theoretical models. We find sensitivity to cross sections in the 10 2 − 10 5 fb range, forTmasses between 300 and 1000 GeV, depending on decay mode.

Physics↗
DOE OSTI2025

Machine Learning to Select Experiments Driven by Fundamental Science and Applications for Targeted Nuclear Data Improvement

This work describes a blueprint for a process that accelerates progress in science by quantitatively answering the following question: What is the optimal combination of fundamental-science and application-driven experiments to maximally reduce pertinent data uncertainties? Answering this question entails solving a high-dimensional and complex optimization problem that is best solved with advanced statistic techniques often classified as machine learning. We apply this process within the framework of nuclear data with the aim to select an experiment combination that will reduce uncertainties in 239 Pu nuclear data for neutron energies between 1 and 600 keV. In this field, fundamental-physics driven data, called differential, look at one nuclear physics observable at a time. They are contrasted to application-driven, integral, data where one or few resulting values inform a broad set of nuclear data across several nuclides and energies. The candidates for integral experiments are criticality measurements that were refined by a genetic algorithm to be maximally sensitive to 239 Pu fission cross sections in the desired energy range. Twenty-three candidate differential experiments were investigated and span multiple nuclear physics observables (e.g., total, capture cross sections) for isotopes appearing in the integral experiments. The optimal combination among these candidate experiments was investigated via generalized least squares fitting, augmented with Gaussian processes to ameliorate statistical irregularities in data, and the D-optimality criterion. The latter evaluates for each pair of candidates the joint reduction in uncertainties of all 12200 nuclear data appearing in the integral experiments compared to the knowledge we have from 168 past experiments, theory, and nuclear data. We chose as differential measurements those that investigate 63 Cu and 239 Pu total cross sections, based on D-optimality rank and feasibility constraints. Two integral (criticality) experiments were selected: An experiment with Al 2 ⁢O 3 and graphite interleaved with Pu and a thick Cu reflector explores 1–30 keV, while we target the 30–600 keV range with an experiment that swaps boron in place of graphite with a different geometry.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗