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All sources NASA NTRS DOE OSTI

DOE OSTI2020

Mesoscale informed parameter estimation through machine learning: A case-study in fracture modeling

Scale bridging is a critical need in computational sciences, where the modeling community has developed accurate physics models from first principles, of processes at lower length and time scales that influence the behavior at the higher scales of interest. However, it is not computationally feasible to incorporate all of the lower length scale physics directly into upscaled models. This is an area where machine learning has shown promise in building emulators of the lower length scale models, which incur a mere fraction of the computational cost of the original higher fidelity models. We demonstrate the use of machine learning using an example in materials science estimating continuum scale parameters by emulating, with uncertainties, complicated mesoscale physics. Additionally, we describe a new framework to emulate the fine scale physics, especially in the presence of microstructures, using machine learning, and showcase its usefulness by providing an example from modeling fracture propagation. Our approach can be thought of as a data-driven dimension reduction technique that yields probabilistic emulators. Our results show well-calibrated predictions for the quantities of interests in a low-strain simulation of fracture propagation at the mesoscale level. Furthermore, on average, we achieve ~10% relative errors on time-varying quantities like total damage and maximum stresses. Successfully replicating mesoscale scale physics within the continuum models is a crucial step towards predictive capability in multi-scale problems.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Topological aspects of matters and Langlands program

The Langlands program is a vast mathematical projection linking number theory and geometry. In high-energy physics, a connection with mirror symmetry has been suggested in string theory, but it has been little studied in low-energy physics. In the framework of the Langlands program, we present a unified description of the integer and fractional quantum Hall effect and the duality found in the fractal nature of the energy spectrum of two-dimensional Bloch electrons, statistical physics, and quantum computation. The new unified view of existing dualism presented in this paper raises the entirely new question of how each theory of physics is connected as a piece of the Langlands program.

Physics↗

DOE OSTI2020

Gamow-shell-model description of Li isotopes and their mirror partners

Background: Weakly bound and unbound nuclei close to particle drip lines are laboratories of new nuclear structure physics at the extremes of neutron/proton excess. The comprehensive description of these systems requires an open quantum system framework that is capable of treating resonant and nonresonant many-body states on equal footing. Purpose: In this work, we develop the complex-energy configuration interaction approach to describe binding energies and spectra of selected 5 ≤ $\textit{A}$ ≤ 11 nuclei. Method: We employ the complex-energy Gamow shell model (GSM) assuming a rigid 4 He core. The effective Hamiltonian, consisting of a core-nucleon Woods-Saxon potential and a simplified version of the Furutani-Horiuchi-Tamagaki interaction with the mass-dependent scaling, is optimized in the $\textit{sp}$ space. To diagonalize the Hamiltonian matrix, we employ the Davidson method and the Density Matrix Renormalization Group technique. Results: We report our optimized GSM Hamiltonian offers a good reproduction of binding energies and spectra with the root-mean-square (rms) deviation from experiment of 160 keV. Since the model performs well when used to predict known excitations that have not been included in the fit, it can serve as a reliable tool to describe poorly known states. A case in point is our prediction for the pair of unbound mirror nuclei 10 Li – 10 N in which a huge Thomas-Ehrman shift dramatically alters the pattern of low-energy excitations. Conclusion: The new model will enable comprehensive studies of structure and reactions aspects of light drip-line nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2006

Converging Indicators for Assessing Individual Differences in Adaptation to Extreme Environments: Preliminary Report

This paper describes the development and validation of a new methodology for assessing the deleterious effects of spaceflight on crew health and performance. It is well known that microgravity results in various physiological alterations, e.g., headward fluid shifts which can impede physiological adaptation. Other factors that may affect crew operational efficiency include disruption of sleep-wake cycles, high workload, isolation, confinement, stress and fatigue. From an operational perspective, it is difficult to predict which individuals will be most or least affected in this unique environment given that most astronauts are first-time flyers. During future lunar and Mars missions space crews will include both men and women of multi-national origins, different professional backgrounds, and various states of physical condition. Therefore, new methods or technologies are needed to monitor and predict astronaut performance and health, and to evaluate the effects of various countermeasures on crew during long duration missions. This paper reviews several studies conducted in both laboratory and operational environments with men and women ranging in age between 18 to 50 years. The studies included the following: soldiers performing command and control functions during mobile operations in enclosed armored vehicles; subjects participating in laboratory tests of an anti-motion sickness medication; subjects exposed to chronic hypergravity aboard a centrifuge, and subject responses to 36-hours of sleep deprivation. Physiological measurements, performance metrics, and subjective self-reports were collected in each study. The results demonstrate that multivariate converging indicators provide a significantly more reliable method for assessing environmental effects on performance and health than any single indicator.

Cowings, Patricia S.↗

NASA NTRS2016

First-Principles Modeling Of Electromagnetic Scattering By Discrete and Discretely Heterogeneous Random Media

A discrete random medium is an object in the form of a finite volume of a vacuum or a homogeneous material medium filled with quasi-randomly and quasi-uniformly distributed discrete macroscopic impurities called small particles. Such objects are ubiquitous in natural and artificial environments. They are often characterized by analyzing theoretically the results of laboratory, in situ, or remote-sensing measurements of the scattering of light and other electromagnetic radiation. Electromagnetic scattering and absorption by particles can also affect the energy budget of a discrete random medium and hence various ambient physical and chemical processes. In either case electromagnetic scattering must be modeled in terms of appropriate optical observables, i.e., quadratic or bilinear forms in the field that quantify the reading of a relevant optical instrument or the electromagnetic energy budget. It is generally believed that time-harmonic Maxwell's equations can accurately describe elastic electromagnetic scattering by macroscopic particulate media that change in time much more slowly than the incident electromagnetic field. However, direct solutions of these equations for discrete random media had been impracticable until quite recently. This has led to a widespread use of various phenomenological approaches in situations when their very applicability can be questioned. Recently, however, a new branch of physical optics has emerged wherein electromagnetic scattering by discrete and discretely heterogeneous random media is modeled directly by using analytical or numerically exact computer solutions of the Maxwell equations. Therefore, the main objective of this Report is to formulate the general theoretical framework of electromagnetic scattering by discrete random media rooted in the Maxwell- Lorentz electromagnetics and discuss its immediate analytical and numerical consequences. Starting from the microscopic Maxwell-Lorentz equations, we trace the development of the first principles formalism enabling accurate calculations of monochromatic and quasi-monochromatic scattering by static and randomly varying multiparticle groups. We illustrate how this general framework can be coupled with state-of-the-art computer solvers of the Maxwell equations and applied to direct modeling of electromagnetic scattering by representative random multi-particle groups with arbitrary packing densities. This first-principles modeling yields general physical insights unavailable with phenomenological approaches. We discuss how the first-order-scattering approximation, the radiative transfer theory, and the theory of weak localization of electromagnetic waves can be derived as immediate corollaries of the Maxwell equations for very specific and well-defined kinds of particulate medium. These recent developments confirm the mesoscopic origin of the radiative transfer, weak localization, and effective-medium regimes and help evaluate the numerical accuracy of widely used approximate modeling methodologies.

Michael I Mishchenko↗

DOE OSTI2024

Tailoring physical properties of crystals through synthetic temperature control: A case study for new polymorphic NbFeT e 2 phases

Growth parameters play a significant role in the crystal quality and physical properties of layered materials. Here we present a case study on a van der Waals magnetic NbFeTe 2 material. Two different types of polymorphic NbFeTe 2 phases, synthesized at different temperatures, display significantly different behaviors in crystal symmetry, electronic structure, electrical transport, and magnetism. While the phase synthesized at low temperature showing behavior consistent with previous reports, the new phase synthesized at high temperature, has completely different physical properties, such as metallic resistivity, long-range ferromagnetic order, anomalous Hall effect, negative magnetoresistance, and distinct electronic structures. Neutron diffraction reveals out-of-plane ferromagnetism below 70 K, consistent with the electrical transport and magnetic susceptibility studies. Finally, our work suggests that simply tuning synthetic parameters in a controlled manner could be an effective route to alter the physical properties of existing materials potentially unlocking new states of matter, or even discovering new materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1991

Noninertial coordinate time: A new concept affecting time standards, time transfers, and clock synchronization

Relativity compensations must be made in precise and accurate measurements whenever an observer is accelerated. Although many believe the Earth-centered frame is sufficiently inertial, accelerations of the Earth, as evidenced by the tides, prove that it is technically a noninertial system for even an Earth-based observer. Using the constant speed of light, a set of fixed remote clocks in an inertial frame can be synchronized to a fixed master clock transmitting its time in that frame. The time on the remote clock defines the coordinate time at that coordinate position. However, the synchronization procedure for an accelerated frame is affected, because the distance between the master and remote clocks is altered due to the acceleration of the remote clock toward or away from the master clock during the transmission interval. An exact metric that converts observations from noninertial frames to inertial frames was recently derived. Using this metric with other physical relationships, a new concept of noninertial coordinate time is defined. This noninertial coordinate time includes all relativity compensations. This new issue raises several timekeeping issues, such as proper time standards, time transfer process, and clock synchronization, all in a noninertial frame such as Earth.

Steven D. Deines↗

NASA NTRS1994

Multicomponent Gas Diffusion and an Appropriate Momentum Boundary Condition

Multicomponent gas diffusion is reviewed with particular emphasis on gas flows near solid boundaries-the so-called Kramers-Kistemaker effect. The aim is to derive an appropriate momentum boundary condition which governs many gaseous species diffusing together. The many species' generalization of the traditional single gas condition, either as slip or stick (no-slip), is not obvious, particularly for technologically important cases of lower gas pressures and very dissimilar molecular weight gases. No convincing theoretical case exists for why two gases should interact with solid boundaries equally but in opposite flow directions, such that the total gas flow exactly vanishes. ln this way, the multicomponent no-slip boundary requires careful treatment The approaches discussed here generally adopt a microscopic model for gas-solid contact. The method has the advantage that the mathematics remain tractable and hence experimentally testable. Two new proposals are put forward, the first building in some molecular collision physics, the second drawing on a detailed view of surface diffusion which does not unphysically extrapolate bulk gas properties to govern the adsorbed molecules. The outcome is a better accounting of previously anomalous experiments. Models predict novel slip conditions appearing even for the case of equal molecular weight components. These approaches become particularly significant in view of a conceptual contradiction found to arise in previous derivations of the appropriate boundary conditions. The analogous case of three gases, one of which is uniformly distributed and hence non-diffusing, presents a further refinement which gives unexpected flow reversals near solid boundaries. This case is investigated alone and for aggregating gas species near their condensation point. In addition to predicting new physics, this investigation carries practical implications for controlling vapor diffusion in the growth of crystals used in medical diagnosis (e.g. mercuric iodide) and semiconductors.

Noever, David A.↗

DOE OSTI2023

Fundamentals of Polymer Crystallization in Laser Powder Bed Fusion for New Material Screening

Although laser powder bed fusion (PBF/LB) was one of the first industrially viable additive manufacturing (AM) methods for end-use part production, polyamides remain grossly dominant at both the commercial- and researchscale. The research community continues to develop and refine “rapid screening” methods for evaluating the suitability of a new polymer for PBF/LB. The so-called “SLS Process Window,” which is the difference between melting and crystallization temperature measured at 10 K min-1 as originally outlined in the patent literature, is perhaps the most often reported screening method. Although perhaps appropriate as part of a larger study, the simplistic guidelines put forth by the “SLS Process Window” are not sufficiently scientifically rigorous to understand how crystallization kinetics affects successful 3D printing. The common understanding of the SLS Process Window omits details from published theories of polymer crystallization. as evidenced by published assumptions and methods in PBF/LB process modeling papers. The authors explain polymer crystallization in the PBF/LB process context and propose replacing the “process window” with crystallization halftime and physical gelation for new material screening. These measurements better represent behavior critical for ensuring a lengthy coexistence of solid powder and molten polymer affecting warp-free parts.

CHATHAM, CAMDEN A.↗

DOE OSTI2022

Community Structure and Microbial Associations in Sediment-Free Methanotrophic Enrichment Cultures from a Marine Methane Seep

We report Syntrophic consortia of anaerobic methanotrophic archaea (ANME) and sulfate-reducing bacteria (SRB) consume large amounts of methane and serve as the foundational microorganisms in marine methane seeps. Despite their importance in the carbon cycle, research on the physiology of ANME-SRB consortia has been hampered by the slow growth and complex physicochemical environment the consortia inhabit. Here, we report successful sediment-free enrichment of ANME-SRB consortia from deep-sea methane seep sediments in the Santa Monica Basin, California. Anoxic Percoll density gradients and size-selective filtration were used to separate ANME-SRB consortia from sediment particles and single cells to accelerate the cultivation process. Over a 3-year period, a subset of the sediment-associated ANME and SRB lineages, predominantly comprised of ANME-2a/2b (“Candidatus Methanocomedenaceae”) and their syntrophic bacterial partners, SEEP-SRB1/2, adapted and grew under defined laboratory conditions. Metagenome-assembled genomes from several enrichments revealed that ANME-2a, SEEP-SRB1, and Methanococcoides in different enrichments from the same inoculum represented distinct species, whereas other coenriched microorganisms were closely related at the species level. This suggests that ANME, SRB, and Methanococcoides are more genetically diverse than other members in methane seeps. Flow cytometry sorting and sequencing of cell aggregates revealed that Methanococcoides, Anaerolineales, and SEEP-SRB1 were overrepresented in multiple ANME-2a cell aggregates relative to the bulk metagenomes, suggesting they were physically associated and possibly interacting. Overall, this study represents a successful case of selective cultivation of anaerobic slow-growing microorganisms from sediments based on their physical characteristics, introducing new opportunities for detailed genomic, physiological, biochemical, and ecological analyses. Biological anaerobic oxidation of methane (AOM) coupled with sulfate reduction represents a large methane sink in global ocean sediments. Methane consumption is carried out by syntrophic archaeal-bacterial consortia and fuels a unique ecosystem, yet the interactions in these slow-growing syntrophic consortia and with other associated community members remain poorly understood. The significance of this study is the establishment of sediment-free enrichment cultures of anaerobic methanotrophic archaea and sulfate-reducing bacteria performing AOM with sulfate using selective cultivation approaches based on size, density, and metabolism. By reconstructing microbial genomes and analyzing community composition of the enrichment cultures and cell aggregates, we shed light on the diversity of microorganisms physically associated with AOM consortia beyond the core syntrophic partners. These enrichment cultures offer simplified model systems to extend our understanding of the diversity of microbial interactions within marine methane seeps.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1994

Inner Magnetosphere Imager Mission: A New Window on the Plasma Universe

The proposed Inner Magnetosphere Imager mission will obtain the first simultaneous images of the component regions of the inner magnetosphere and will enable scientists to relate these global images to internal and external influences, as well as local observations. We are performing at the George C. Marshall Space Flight Center a concept definition study of the proposed mission. The baseline mission calls for an instrument complement of approximately seven imagers to fly in an elliptical Earth orbit with an apogee of seven Earth radii (Re) and a perigee of approximately 4800 km. Several spacecraft concepts are being considered for the mission. The first concept utilizes a spinning spacecraft with a despun platform. The second concept splits the instruments onto two smaller satellites-a spinning spacecraft and a complementary three-axis stabilized spacecraft. Launch options being assessed for the spacecraft range from a Delta-2, for the single- and dual-spacecraft concepts, to dual Taurus launches, for the two smaller spacecraft. An additional option, that of downsizing the mission to fit within the guidelines of the Space Physics Division's new class of solar terrestrial probes, is also being considered.

Johnson, Charles L.↗

DOE OSTI2025

A distributed voltage inference framework for cyber-physical attacks detection and localization in active distribution grids

The transition to active distribution grids with real-time monitoring and control depends on the proliferation of advanced communication networks and devices. This paradigm shift towards a cyber-physical architecture also introduces new vulnerabilities for adversaries to exploit and launch sophisticated cyber-physical attacks targeting grid observability. Current research highlights the challenges in distinguishing attacks on voltage phasor or nodal injection measurements and isolating multi-source attack locations in a multiphase distribution grid. The attack detection and localization methods in literature face accuracy issues, applications across diverse attack scenarios, or scalability limits. Here, to bridge these gaps, this paper proposes a distributed Voltage Inference framework for real-time detection and localization of cyber-physical attacks, addressing scalability, adaptability, and accuracy challenges in state-of-the-art methods. The proposed methodology leverages the distributed nature of the Voltage Inference framework through a two-step process of prediction and correction, together with a tractable graph partitioning approach, providing a reliable solution to identify compromised measurement sources and facilitate isolation. Extensive testing on IEEE 13 and 123-node distribution feeders underscores the algorithm’s efficacy, enhancing the security and resilience of active distribution grids against evolving cyber threats. Additionally, Hardware-in-the-Loop (HIL) implementation validates the proposed strategy’s practical applicability in real-world scenarios.

active distribution grids↗

NASA NTRS1973

Laminar boundary layer on a cone near a plane of symmetry.

The three-dimensional laminar boundary layer near the planes of symmetry of a cone with either outflow or inflow is studied in supersonic and hypersonic flow. Solutions are presented for a variety of values of three parameters, namely those of cross flow, external Mach number, and wall enthalpy ratio. Also asymptotic solutions for ranges of pertinent similarity variables are developed and used in numerical analyses so as to assure exponential behavior as the similarity variables approach infinity. Of special interest in the results is the existence for outflow, i.e., for the windward plane of symmetry, of a new solution branch and for inflow of four solution branches. The physical significance of the new solutions is discussed.

Wu, P.↗

NASA NTRS2004

Developing Analogy Cost Estimates for Space Missions

The analogy approach in cost estimation combines actual cost data from similar existing systems, activities, or items with adjustments for a new project's technical, physical or programmatic differences to derive a cost estimate for the new system. This method is normally used early in a project cycle when there is insufficient design/cost data to use as a basis for (or insufficient time to perform) a detailed engineering cost estimate. The major limitation of this method is that it relies on the judgment and experience of the analyst/estimator. The analyst must ensure that the best analogy or analogies have been selected, and that appropriate adjustments have been made. While analogy costing is common, there is a dearth of advice in the literature on the 'adjustment methodology', especially for hardware projects. This paper discusses some potential approaches that can improve rigor and repeatability in the analogy costing process.

space mission cost↗

NASA NTRS2013

Painleve-gullstrand-type Coordinates for the Five-dimensional Myers-Perry Black Hole

The Painleve-Gullstrand coordinates provide a convenient framework for presenting the Schwarzschild geometry because of their flat constant-time hypersurfaces, and the fact that they are free of coordinate singularities outside r=0. Generalizations of Painlev´e-Gullstrand coordinates suitable for the Kerr geometry have been presented by Doran and Nat´ario. These coordinate systems feature a time coordinate identical to the proper time of zero-angular-momentum observers that are dropped from infinity. Here, the methods of Doran and Nat´ario are extended to the five-dimensional rotating black hole found by Myers and Perry. The result is a new formulation of the Myers-Perry metric. The properties and physical significance of these new coordinates are discussed.

Generalizations↗

NASA NTRSDate not supplied

Microgravity Science Glovebox (MSG)

The Microgravity Science Glovebox (MSG) is a research facility located in the Destiny module on the International Space Station (ISS). This facility was designed to accommodate small science and technology experiments in a “workbench” type environment. Because the facility’s working volume is enclosed and held at a negative pressure with respect to the crew living area, the requirements on the experiments for containment of small parts, particulates, fluids, and gasses in the low-gravity Space Station environment are substantially reduced. The concept allows scientific flight hardware to be constructed in close parallel with bench experiments developed in ground-based laboratories. The facility is ideally suited to provide accommodations for exploratory-type investigations that are necessary to gain an initial understanding of the role of gravity in the physics associated with new research areas. Once experiments are transported to the International Space Station the crew installs the experiment hardware in the MSG and configures it for operations. Depending on its design, the actual experiment hardware can be operated either by the crew or by the ground-based investigator through two-way real-time data links. Images can be viewed through the several MSG video cameras, or cameras embedded in the experiment.

containment↗

DOE OSTI2024

Relevance of one-loop SMEFT matching in the 2HDM

The two-Higgs doublet model (2HDM) is a well understood alternative to the Standard Model of particle physics. If the new particles included in the 2HDM are at an energy scale much greater than the weak scale, the theory can be matched to the Standard Model effective field theory (SMEFT). We compute for the first time the complete one-loop matching at dimension-6. We compare its numerical impact with that of tree-level matching at dimension-8 by performing a global fit to single Higgs and precision electroweak measurements, and we emphasize the importance of comparing one-loop SMEFT results with corresponding one-loop results in the full 2HDM model. In the SMEFT, we consider the relative importance of both one-loop matching and the inclusion of renormalization group evolution. Our results demonstrate the necessity of studying the impact of various expansions to quantify the uncertainties of the SMEFT matching. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Energy Resilience for Mission Assurance: Agile Co-simulation for Cyber Energy System Security (ACCESS), Model Advancements for Resilience Analysis

Agile Co-simulation for Cyber Energy System Security (ACCESS) is a co-simulation platform developed by Lawrence Livermore National Laboratory (LLNL). The primary high-level use-case for ACCESS is to study existing or new cyber-physical critical infrastructure systems, with a heavy emphasis on 1) systems that utilize communication networks, and 2) studies that seek to understand cyber-related system impacts. ACCESS is currently used for several energy system resilience projects at LLNL. In the Energy Resilience for Mission Assurance (ERMA) project, ACCESS is used in the Modeling for Metric Calculation task (specifically, subtask 4.3, Communications and Cyber Modeling) to model and simulate the cyber and communication system aspects of Defense Critical Electric Infrastructure (DCEI) systems, with a focus on computing specific communication system metrics that can impact system resilience and mission performance. Simulated communication system performance will be fed back to other ERMA system components so that mission performance can be evaluated holistically. This report describes several enhancements to the ACCESS platform that were implemented during the execution of the ERMA project in support of reslience analysis. This includes the addition of new models and subsystems, enhancements to existing models, and integration with external systems. The remainder of this report is structured as follows. In Section 2, a brief background description of the ACCESS platform is provided, including an outline of ACCESS components, example usecases, and a set of communication network resilience metrics that can be computed with ACCESS. Section 3 describes the ACCESS model enhancements for ERMA in detail. Finally, Section 4 briefly outlines future integration opportunities between ACCESS and project participant capabilities identified during the progression of the project.

97 MATHEMATICS AND COMPUTING↗