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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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DOE OSTI2021

A data-driven approach to modeling cancer cell mechanics during microcirculatory transport

In order to understand the effect of cellular level features on the transport of circulating cancer cells in the microcirculation, there has been an increasing reliance on high-resolution in silico models. Accurate simulation of cancer cells flowing with blood cells requires resolving cellular-scale interactions in 3D, which is a significant computational undertaking warranting a cancer cell model that is both computationally efficient yet sufficiently complex to capture relevant behavior. Given that the characteristics of metastatic spread are known to depend on cancer type, it is crucial to account for mechanistic behavior representative of a specific cancer’s cells. To address this gap, in the present work we develop and validate a means by which an efficient and popular membrane model-based approach can be used to simulate deformable cancer cells and reproduce experimental data from specific cell lines. Here, cells are modeled using the immersed boundary method (IBM) within a lattice Boltzmann method (LBM) fluid solver, and the finite element method (FEM) is used to model cell membrane resistance to deformation. Through detailed comparisons with experiments, we (i) validate this model to represent cancer cells undergoing large deformation, (ii) outline a systematic approach to parameterize different cell lines to optimally fit experimental data over a range of deformations, and (iii) provide new insight into nucleated vs. non-nucleated cell models and their ability to match experiments. While many works have used the membrane-model based method employed here to model generic cancer cells, no quantitative comparisons with experiments exist in the literature for specific cell lines undergoing large deformation. Here, we describe a phenomenological, data-driven approach that can not only yield good agreement for large deformations, but explicitly detail how it can be used to represent different cancer cell lines. This model is readily incorporated into cell-resolved hemodynamic transport simulations, and thus offers significant potential to complement experiments towards providing new insights into various aspects of cancer progression.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Kinetic mixing, dark photons and extra dimensions. Part III. Brane localized dark matter

Extra dimensions have proven to be a very useful tool in constructing new physics models. In earlier work, we began investigating toy models for the 5-D analog of the kinetic mixing/vector portal scenario where the interactions of dark matter, taken to be, e.g., a complex scalar, with the brane-localized fields of the Standard Model (SM) are mediated by a massive U(1) D dark photon living in the bulk. These models were shown to have many novel features differentiating them from their 4-D analogs and which, in several cases, avoided some well-known 4-D model building constraints. However, these gains were obtained at the cost of the introduction of a fair amount of model complexity, e.g., dark matter Kaluza-Klein excitations. In the present paper, we consider an alternative setup wherein the dark matter and the dark Higgs, responsible for U(1) D breaking, are both localized to the ‘dark’ brane at the opposite end of the 5-D interval from where the SM fields are located with only the dark photon now being a 5-D field. The phenomenology of such a setup is explored for both flat and warped extra dimensions and compared to the previous more complex models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

New tools for dissecting the general $\mathrm{2HDM}$

Two Higgs doublet models (2HDM) provide the low energy effective theory (EFT) description in many well motivated extensions of the Standard Model. It is therefore relevant to study their properties, as well as the theoretical constraints on these models. In this article we concentrate on three relevant requirements for the validity of the 2HDM framework, namely the perturbative unitarity bounds, the bounded from below constraints, and the vacuum stability constraints. In this study, we concentrate on the most general renormalizable version of the 2HDM — without imposing any parity symmetry, which may be violated in many UV extensions. We derive novel analytical expressions that generalize those previously obtained in more restrictive scenarios to the most general case. We also discuss the phenomenological implications of these bounds, focusing on CP violation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Search for CP-violating Neutrino Non-Standard Interactions with the NOvA Experiment

The phenomenon of neutrino oscillations is the most significant evidence in experimental particle physics that points to the existence of Physics Beyond the Standard Model, and it opened a window for several and interesting new investigations in the field of neutrino physics. Among the possibilities, Non-Standard Interactions (NSI) are an extension of the neutrino matter effect leading to a rich phenomenology. These NSI are expected to modify the propagation of neutrinos through matter. The current open questions in the neutrino oscillation model rely heavily on how neutrinos interact with matter, and NSI could induce possible effects. This talk reports the preliminary search for CP-violating NSI of neutrinos with matter at the NOvA Experiment. Data from $\nu_{\mu}(\bar{\nu}_{\mu})\rightarrow\nu_{\mu}(\bar{\nu}_{\mu})$ and $\nu_{\mu}(\bar{\nu}_{\mu})\rightarrow\nu_{e}(\bar{\nu}_{e})$ oscillation channels are used to measure the effect of the NSI parameters $\varepsilon_{e\mu}$ or $\v arepsilon_{e\tau}$ over the 810 km baseline of the experiment.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Reconstruction of boosted and resolved multi-Higgs-boson events with symmetry-preserving attention networks

The production of multiple Higgs bosons at the CERN LHC provides a direct way to measure the trilinear and quartic Higgs self-interaction strengths as well as potential access to beyond the standard model effects that can enhance production at large transverse momentum p T . The largest event fraction arises from the fully hadronic final state in which every Higgs boson decays to a bottom quark-antiquark pair ($b\bar{b}$). This introduces a combinatorial challenge known as the jet assignment problem: assigning jets to sets representing Higgs boson candidates. Symmetry-preserving attention networks (SPA-Nets) have been developed to address this challenge. However, the complexity of jet assignment increases when simultaneously considering both H → $b\bar{b}$ reconstruction possibilities, i.e., two “resolved” small-radius jets each containing a shower initiated by a b quark or one “boosted” large-radius jet containing a merged shower initiated by a $b\bar{b}$ pair. The latter improves the reconstruction efficiency at high p T . In this work, we introduce a generalization to the SPA-Net approach to simultaneously consider both boosted and resolved reconstruction possibilities and unambiguously interpret an event as “fully resolved”, “fully boosted”, or in between. We report the performance of baseline methods, the original SPA-Net approach, and our generalized version on nonresonant HH and HHH production at the LHC. Considering both boosted and resolved topologies, our SPA-Net approach increases the Higgs boson reconstruction purity by 56–80% and the efficiency by 37–38% compared to the baseline method depending on the final state.

Higgs Production↗

NASA NTRS2008

Cyclotron Line Measurements with INTEGRAL

Due to its broadband energy coverage, INTEGRAL has made important contributions to observing and interpreting cyclotron lines, which are present in the 10-100 keV range of a sample of accreting pulsars. In these systems photons with energies fulfilling the resonance condition inelastically Compton scatter off electrons quantized in the accretion column above the neutron star's magnetic pole(s). This process gives rise to the broad, absorption-like lines or 'cyclotron resonant scattering features' (CRSF). The observed lines allow to directly measure the B-fields of these sources, resulting in values of a few times 1E12G. In this overview I will present recent highlights regarding CRSF observations as well as discuss current ideas and models for the physical conditions in the accretion column. Among the former are the stability of the spectrum of Vela X-1 during giant flares in 2003, the observation of three cyclotron lines during the 2004 outburst of V0332+53, the confirmation of the fundamental line at approximately 45 keV during a 2005 normal outburst of A0535-26, and the simultaneous detection of the two lines in the dipping source 4U 1907+09 (for which also a torque reversal was detected for the first time). Through these and other observations it has become increasingly apparent that two types of observations can potentially be used to constrain the accretion column geometry: the determination of energy ratios for multiple harmonic lines (only two sources with greater than 2 lines are known), was well as the evolution of the fundamental line centroid, which, for different sources, may or may not be correlated with flux. Furthermore, first steps have been taken away from the usual phenomenological description of the lines, towards a physical approach based on self-consistent CRSF modeling. Initial applications are presented.

Pottschmidt, K.↗

DOE OSTI2023

Parameter-free prediction of phase transition in PbTiO 3 through combination of quantum mechanics and statistical mechanics

Thermodynamics of ferroelectric materials and their ferroelectric to paraelectric (FE-PE) transitions is commonly described by the phenomenological Landau theory and more recently by effective Hamiltonian and various potentials, all with model parameters fitted to experimental or theoretical data. Here, in this work, we show that the zentropy theory, which considers the total entropy of a system as a weighted sum of entropies of configurations that the system may experience and the statistical entropy among the configurations, can predict the FE-PE transition without fitting parameters. For PbTiO 3 , the configurations are identified as the FE configurations with 90- or 180° domain walls in addition to the ground state FE configuration without domain wall. With the domain wall energies predicted from first-principles based on density functional theory in the literature as the only inputs, the FE-PE transition for PbTiO 3 is predicted showing remarkable agreement with experiments, unveiling the microscopic fundamentals of the transition.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Nonperturbative and perturbative dynamics of a light QCD axion: Dark matter and the strong 𝐶⁢𝑃 problem

Considerable theoretical efforts have gone into expanding the reach of the quantum chromodynamics (QCD) axion beyond its canonical mass–decay-constant relation. The 𝑍 𝒩 QCD axion model reduces the QCD axion mass naturally, by invoking a discrete 𝑍 𝒩 symmetry through which the axion field is coupled to 𝒩 copies of the Standard Model. Before the QCD phase transition at temperature 𝑇 QCD , the 𝑍 𝒩 potential has a minimum at misalignment angle 𝜃 = 𝜋. At 𝑇 QCD , 𝜃 = 𝜋 becomes a maximum; the axion potential becomes exponentially suppressed and develops 𝒩 minima—only one of which actually solves the strong 𝐶⁢𝑃 problem. Before 𝑇 QCD , 𝜃 relaxes toward 𝜋. After 𝑇 QCD , the axion field starts from around the hilltop and may have sufficient kinetic energy to overcome the newly suppressed potential barriers. Such a field evolution leads to nonperturbative effects via the self-interactions near the hilltop, which can cause the exponential growth of fluctuations and backreaction on the coherent motion. This behavior can influence the relic density of the field and the minimum in which it settles. We conduct the first lattice simulations of the 𝑍 𝒩 QCD axion using 𝒞osmoℒattice to accurately calculate dark matter abundances and find nonperturbative dynamics reduce the abundance by up to a factor of two. We furthermore find that the probability of solving the strong 𝐶⁢𝑃 problem tends to diverge considerably from the naïve expectation of 1/𝒩.

Axions↗

DOE OSTI2023

Experimental Considerations in Long-Baseline Neutrino Oscillation Measurements

Long-baseline neutrino oscillation experiments, which are among the largest neutrino experiments in the world, have extensive physics programs to make precision measurements of three-flavor oscillation parameters, search for physics beyond the Standard Model, and study neutrinos from astrophysical sources. In this article, experimental considerations, including oscillation phenomenology, detector and experiment design, and analysis strategies, are described, with a focus on the three-flavor oscillation measurements. Current and future experiments are discussed, and significant sources of systematic uncertainty, along with mitigation strategies, are emphasized as control of systematic uncertainty is critical for success in precise measurement of long-baseline oscillation parameters. This article is structured as a primer for those new to this area of experimental work.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1975

Validity of approximate methods in molecular scattering - Thermal HCl-He collisions

Accurate close coupling scattering calculations are presented for thermal energy HCl-He collisions. The interaction potential is obtained from the Gordon-Kim electron gas model, adjusted to have the correct long-range multipole form. A variety of phenomenological cross sections are computed from the close coupling S matrix, and these are compared with results from several commonly employed approximate methods. In particular, it is found that the total integral, total differential, and gas kinetic cross sections are accurately predicted by the central field approximation which retains just the spherical average of the interaction. Integral inelastic cross sections are represented quite accurately by the coupled states approximation of McGuire and Kouri, but only qualitatively by the effective potential method of Rabitz.

Green, S.↗

NASA NTRS1990

Optical and UV spectra of RS CVn stars

The observed phenomenology in RS CVn and related binary systems is considered in terms of its modeling according to solar activity by examining UV and optical spectroscopy. Current data are examined to validate the existence of cool starspots, plage, prominences, and flares, as well as to determine the consistency of spatial correlations given by these data. RS CVn stars show spots at or near the poles, contrasting the low latitudes of solar spots; plage appears to be associated with cool spots on BY Draconis-like systems; plage and prominences, although identified as distinct phenomena, are theorized to be the same event in some cases. More spectroscopic and photometric observations are proposed to identify the detailed structure and locations of spots. UV and visible data are also required to distinguish plage regions from flare variations as well as determine the relation of extended structures to starspot and plage phenomena in RS CVn systems.

Ramsey, Lawrence W.↗

NASA NTRS1992

LDEF experiment M0003 meteoroid and debris survey

A survey of the meteoroid and space debris impacts on LDEF experiment M0003 was performed. The purpose was to document impact phenomenology and to obtain impact crater data for comparison to current debris and micrometeoroid models. The survey consists of photomicrographs of significant impacts in a variety of material types, accurate measurements of impact crater coordinates and dimensions for selected experiment surfaces and data basing of the crater data for reduction, manipulation, and comparison models. Large area surfaces which were studied include the experiment power and data system sunshields, environment exposure control canister sunshields, and the M0003 signal conditioning unit covers. Crater diameters down to 25 microns were measured and catalogued. Both leading and trailing edge surfaces were studied and compared. The results shows the different response of materials to hypervelocity impacts. Comparison of the data to curves derived from the Kessler debris model and the Cour-Palais micrometeoroid model indicates a marked tendency for overprediction of small impacts and underprediction of large impacts with there being better agreement for the medium sized impacts. Representative impact data is presented.

Meshishnek, M. J.↗

NASA NTRS2003

Chandra Radiation Environment Modeling

CRMFLX (Chandra Radiation Model of ion FluX) is a radiation environment risk mitigation tool for use as a decision aid in planning the operations times for Chandra's Advanced CCD Imaging Spectrometer (ACIS) detector. The accurate prediction of the proton flux environment with energies of 100 - 200 keV is needed in order to protect the ACIS detector against proton degradation. Unfortunately, protons of this energy are abundant in the region of space Chandra must operate, and on-board particle detectors do not measure proton flux levels of the required energy range. This presentation will describe the plasma environment data analysis and modeling basis of the CRMFLX engineering environment model developed to predict the proton flux in the solar wind, magnetosheath, and magnetosphere phenomenological regions of geospace. The recently released CRMFLX Version 2 implementation includes an algorithm that propagates flux from an observation location to other regions of the magnetosphere based on convective ExB and VB-curvature particle drift motions. This technique has the advantage of more completely filling out the database and makes maximum use of limited data obtained during high Kp periods or in areas of the magnetosphere with poor satellite flux measurement coverage.

Minow, Joseph I.↗

NASA NTRS2003

The Chandra X-Ray Observatory Radiation Environmental Model Update

CRMFLX (Chandra Radiation Model of ion FLUX) is a radiation environment risk mitigation tool for use as a decision aid in planning the operation times for Chandra's Advanced CCD Imaging Spectrometer (ACIS) detector. The accurate prediction of the proton flux environment with energies of 100 - 200 keV is needed in order to protect the ACIS detector against proton degradation. Unfortunately, protons of this energy are abundant in the region of space where Chandra must operate. In addition, on-board particle detectors do not measure proton flux levels of the required energy range. CRMFLX is an engineering environment model developed to predict the proton flux in the solar wind, magnetosheath, and magnetosphere phenomenological regions of geospace. This paper describes the upgrades to the ion flux databases for the magnetosphere, magnetosheath, and solar wind regions. These data files were created by using Geotail and Polar spacecraft flux measurements only when the Advanced Composition Explorer (ACE) spacecraft's 0.14 MeV particle flux was below a threshold value. This new database allows for CRMFLX output to be correlated with both the geomagnetic activity level, as represented by the Kp index, as well as with solar proton events. Also, reported in this paper are results of analysis leading to a change in Chandra operations that successfully mitigates the false trigger rate for autonomous radiation events caused by relativistic electron flux contamination of proton channels.

Blackwell, William C.↗

NASA NTRS1991

A model for the progressive failure of laminated composite structural components

Laminated continuous fiber polymeric composites are capable of sustaining substantial load induced microstructural damage prior to component failure. Because this damage eventually leads to catastrophic failure, it is essential to capture the mechanics of progressive damage in any cogent life prediction model. For the past several years the authors have been developing one solution approach to this problem. In this approach the mechanics of matrix cracking and delamination are accounted for via locally averaged internal variables which account for the kinematics of microcracking. Damage progression is predicted by using phenomenologically based damage evolution laws which depend on the load history. The result is a nonlinear and path dependent constitutive model which has previously been implemented to a finite element computer code for analysis of structural components. Using an appropriate failure model, this algorithm can be used to predict component life. In this paper the model will be utilized to demonstrate the ability to predict the load path dependence of the damage and stresses in plates subjected to fatigue loading.

Allen, D. H.↗

DOE OSTI2020

Risk-Informed Applications and Science – Past, Present, & Future

This is a presentation to be made at the University of Tokyo. The Idaho National Laboratory is creating the next-generation reliability- and risk-assessment methods and tools that support risk-informed decision-making by combining physics-based models with probabilistic quantification approaches. Integrating these two worlds of physics and probability using a simulation framework leads us to predictions based upon an approach called “computational risk assessment” which will serve as the technical basis for the future of reliability and risk approaches. The driving factors for this new approach includes: temporal (timing issues), spatial (location issues), mechanistic (physics issues), and topological (complexity issues). By combining phenomenology directly with stochastic quantification, we are able to perform advanced uncertainty analysis directly on both parameters and models. In addition, new tools allow for the creation of reduced order models that mimic high-fidelity engineering models while still permitting the realization of thousands of simulation iterations in short run-times on current workstation-class computers. While these advanced methods and tools can provide increased realism in our engineering safety and risk approaches, their greater benefit is to provide a risk-informed engineering framework for design and operation. This talk will briefly review the history of risk assessment and risk-informed applications, describe some of the current research and development found at the Idaho National Laboratory, and discuss potential future applications and approaches for advanced methods and tools.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1985

Analysis of the electron component of EAS at observational level 700 g x cm(-2) with a scale breaking interaction model and gammaisation hypothesis

Scale breaking model and gammaisation processes for high energies give a correct description of the longitudinal development of extensive air showers (E.A.S.). From the analysis of phenomenological characteristics of E.A.S. at Tien-Shan experiment, it follows that for energies near 10 to the 6 GeV the secondary particle multiplicity increases with energy faster than is predicted by the accepted scale breaking model.

Procureur, J.↗

DOE OSTI2024

Interaction-enhanced nesting in spin-fermion and Fermi-Hubbard models

The spin-fermion (SF) model postulates that the dominant coupling between low-energy fermions in near critical metals is mediated by collective spin fluctuations (paramagnons) peaked at the Néel wave vector, Q N , connecting hot spots on opposite sides of the Fermi surface. It has been argued that strong correlations at hot spots lead to a Fermi surface deformation (FSD) featuring flat regions and increased nesting. This conjecture was confirmed in the perturbative self-consistent calculations when the paramagnon propagator dependence on momentum deviation from Q N is given by χ − 1 ∝ | Δ q | . Using diagrammatic Monte Carlo (diagMC) technique we show that such a dependence holds only at temperatures orders of magnitude smaller than any other energy scale in the problem, indicating that a different mechanism may be at play. Instead, we find that a χ − 1 ∝ | Δ q | 2 dependence yields a robust finite- T scenario for achieving FSD. To link phenomenological and microscopic descriptions, we applied the connected determinant diagMC method to the ( t − t ′ ) Hubbard model and found that at large U / t > 5.5 before the formation of electron and hole pockets (i) the FSD defined as a maximum of the spectral function is not very pronounced; instead, it is the lines of zeros of the renormalized dispersion relation that deforms toward nesting, and (ii) the static spin susceptibility is well described by χ − 1 ∝ | Δ q | 2 . Flat FS regions yield a nontrivial scenario for realizing a non-Fermi liquid state. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗