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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Vibrational Spectra of HNIW and its Isotopologues: A Combined Experimental and Computational Study

Incorporating isotopically labelled materials in degradation experiments could help unravel the mechanism(s) of decomposition through use of the kinetic isotope effect. Characterizing synthesized isotopologues however requires an understanding of what observable signals are affected by the isotopic substitution. As vibrational spectroscopy can distinguish between isotopologues, it is an ideal characterization technique to evaluate isotopic variants. To this end, the vibrational spectra of HNIW and its deuterated ( 2 H), 13 C, 15 N (all), 15 N (nitro), and 18 O isotopologues have been computationally predicted in the gas phase using density functional theory. These results are compared to experimentally measured FTIR/ATR and Raman spectra of both unsubstituted HNIW and 15 N-labeled HNIW in which the six nitro groups were synthetically tagged with 15 N atoms ( 15 N nitro -HNIW). The experimental isotopic frequency shift for the -NO 2 asymmetric stretching frequencies agrees with that theoretically calculated (~35.7 cm-1 vs. 36.5cm-1, respectively). Furthermore, analysis of the theoretically predicted frequency shifts for all isotopologues suggest the -NO 2 bending modes are lower in frequency than previously reported. This assignment is supported by the experimentally measured isotopic shift of ~10.1 cm -1 for these features (consistent with the predicted shift of ~13.1 cm -1 ). This work expands our current understanding of the vibrational modes in HNIW as well as provides a method for future work on similar systems.

36 MATERIALS SCIENCE↗
DOE OSTI2019

e + e - angularity distributions at NNLL' accuracy

We present predictions for the e + e – event shape angularities at NNLL' resummed and O (α 2 s ) matched accuracy and compare them to LEP data at center-of-mass energies Q = 91.2 GeV and Q = 197 GeV. We perform the resummation within the framework of Soft-Collinear Effective Theory, and make use of recent results for the two-loop angularity soft function. We determine the remaining NNLL' and O (α 2 s ) ingredients from a fit to the EVENT2 generator, and implement a shape function with a renormalon-free gap parameter to model non-perturbative effects. Using values of the strong coupling α s (m Z ) and the universal non-perturbative shift parameter Ω 1 that are consistent with those obtained in previous fits to the thrust and C -parameter distributions, we find excellent agreement between our predictions and the LEP data for all angularities with a ϵ [–1, 0.5]. This provides a robust test of the predictions of QCD, factorization, and the universal scaling of the non-perturbative shift across different angularities. Promisingly, our results indicate that current degeneracies in the {α s (m Z ), Ω 1 } parameter space could be alleviated upon fitting these parameters to experimental data for the angularity distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Lytic polysaccharide monooxygenase synergized with lignin-degrading enzymes for efficient lignin degradation

Even though the discovery of lytic polysaccharide monooxygenases (LPMOs) has fundamentally shifted our understanding of biomass degradation, most of the current studies focused on their roles in carbohydrate oxidation. However, no study demonstrated if LPMO could directly participate to the process of lignin degradation in lignin-degrading microbes. This study showed that LPMO could synergize with lignin-degrading enzymes for efficient lignin degradation in white-rot fungi. The transcriptomics analysis of fungi Irpex lacteus and Dichomitus squalens during their lignocellulosic biomass degradation processes surprisingly highlighted that LPMOs co-regulated with lignin-degrading enzymes, indicating their more versatile roles in the redox network. Biochemical analysis further confirmed that the purified LPMO from I. lacteus CD2 could use diverse electron donors to produce H 2 O 2 , drive Fenton reaction, and synergize with manganese peroxidase for lignin oxidation. The results thus indicated that LPMO might uniquely leverage the redox network toward dynamic and efficient degradation of different cell wall components.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Ionic Control over Ferroelectricity in 2D Layered van der Waals Capacitors

The van der Waals layered material CuInP 2 S 6 features interesting functional behavior, including the existence of four uniaxial polarization states, polarization reversal against the electric field through Cu ion migration, a negative-capacitance regime, and reversible extraction of Cu ions. At the heart of these characteristics lies the high mobility of Cu ions, which also determines the spontaneous polarization. Therefore, Cu migration across the lattice results in unusual ferroelectric behavior. Here, we demonstrate how the interplay of polar and ionic properties provides a path to ionically controlled ferroelectric behavior, achieved by applying selected DC voltage pulses and subsequently probing ferroelectric switching during fast triangular voltage sweeps. Using current measurements and theoretical calculations, we observe that increasing DC pulse duration results in higher ionic currents, the buildup of an internal electric field that shifts polarization loops, and an increase in total switchable polarization by ~50% due to the existence of a high polarization phase which is stabilized by the internal electric field. Apart from tuning ferroelectric behavior by selected square pulses, hysteretic polarization switching can even be entirely deactivated and reactivated, resulting in three-state systems where polarization switching is either inhibited or can be performed in two different directions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Shift Happens: Building Robust AI Models with Domain Adaptation

Artificial Intelligence (AI) is revolutionizing physics research—from probing the large-scale structure of the Universe to modeling subatomic interactions and fundamental forces. Yet, a major challenge persists: AI models trained on simulations or old experiment / astronomical survey often perform poorly when applied to new data—exposing issues of dataset (domain) shift, model robustness, and uncertainty in predictions. This summer school session will introduce students to common challenges in applying AI across domains and present solutions based on domain adaptation—a set of techniques designed to improve model generalization under domain shift. We will cover foundational ideas, practical strategies, and current research frontiers in this area. Through examples in astrophysics, we'll explore how domain adaptation can help bridge the gap between synthetic and real-world data, improve trust in model outputs, and advance scientific discovery. The concepts discussed are broadly applicable across physics and other scientific disciplines, making this a valuable topic for anyone interested in building robust, transferable AI models for science.

Ciprijanovic, A. [Fermilab] (ORCID:000000031281719↗
DOE OSTI2025

AI in Astrophysics: Tackling Domain Shift, Model Robustness and Uncertainty

Artificial Intelligence (AI) is revolutionizing physics research from probing the large-scale structure of the Universe to modeling subatomic interactions and fundamental forces. Yet, a major challenge persists: AI models trained on simulations or old experiment / astronomical survey often perform poorly when applied to new data exposing issues of dataset (domain) shift, model robustness, and uncertainty in predictions. This talk will introduce common challenges in applying AI across domains and present solutions based on domain adaptation a set of techniques designed to improve model generalization under domain shift. We will cover foundational ideas, practical strategies, and current research frontiers in this area. Through examples in astrophysics, we'll explore how domain adaptation can help bridge the gap between synthetic and real-world data, improve trust in model outputs, and advance scientific discovery.

Ciprijanvoic, Aleksandra [Fermilab] (ORCID:0000000↗
NASA NTRS1975

An improved method for measuring the magnetic inhomogeneity shift in hydrogen masers

The reported method makes it possible to conduct all maser frequency measurements under conditions of low magnetic field intensity for which the hydrogen maser is most stable. Aspects concerning the origin of the magnetic inhomogeneity shift are examined and the available approaches for measuring this shift are considered, taking into account certain drawbacks of currently used methods. An approach free of these drawbacks can be based on the measurement of changes in a parameter representing the difference between the number of atoms in the involved states.

Reinhardt, V. S.↗
NASA NTRS1982

The hot halo subdwarf binary system HZ-22

A new investigation of the hot subdwarf component of the binary system known as HZ-22 has been conducted using more sophisticated detection apparatus than was available to the original investigators in 1972. The results indicate that the star is tidally distorted, that its companion is most likely to be a white dwarf, and that no significant mass transfer is currently taking place. The importance of the system now shifts to the possibility that the internal mass distribution of a highly evolved subdwarf may be determinable by observing its response to a known tidal potential.

Young, A.↗
NASA NTRS2001

Nano-Transistor Modeling: Two Dimensional Green's Function Method

Two quantum mechanical effects that impact the operation of nanoscale transistors are inversion layer energy quantization and ballistic transport. While the qualitative effects of these features are reasonably understood, a comprehensive study of device physics in two dimensions is lacking. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL (Drain Induced Barrier Lowering), and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density-gradient and quantum-corrected MEDICI).

Svizhenko, Alexei↗
NASA NTRS2009

Two-Dimensional Quantum Model of a Nanotransistor

A mathematical model, and software to implement the model, have been devised to enable numerical simulation of the transport of electric charge in, and the resulting electrical performance characteristics of, a nanotransistor [in particular, a metal oxide/semiconductor field-effect transistor (MOSFET) having a channel length of the order of tens of nanometers] in which the overall device geometry, including the doping profiles and the injection of charge from the source, gate, and drain contacts, are approximated as being two-dimensional. The model and software constitute a computational framework for quantitatively exploring such device-physics issues as those of source-drain and gate leakage currents, drain-induced barrier lowering, and threshold voltage shift due to quantization. The model and software can also be used as means of studying the accuracy of quantum corrections to other semiclassical models.

Govindan, T. R.↗
NASA NTRS2017

The North Pacific Summer Jet and Climate Extremes over North America: Mechanisms and Model Biases

The North Pacific summer jet (NPSJ) plays a critical role as a waveguide for weather systems and other sub-seasonal Rossby waves entering North America and therefore has a controlling influence on the warm season weather and climate extremes over much of the continent. In particular, much of the warm season precipitation that occurs over the central United States depends on subseasonal transients that are able to tap moisture from the Gulf of Mexico as they propagate across the continent. The GEOS-5 atmospheric general circulation model (AGCM), like many AGCMs, is deficient in the simulation of the NPSJ. It is shown that the deficiency is composed of: 1) a stunted jet in which the strongest winds are confined to the Asian continent, failing to extend across the North Pacific into the Gulf of Alaska as observed, and 2) a zonally symmetric poleward shift in the jet. These biases combine to impede the eastward propagation of the weather systems into the continent (the stunted jet), and deprive those systems that do enter the continent access to the moisture from the Gulf (the northward shift), leading to a dry bias over the central US. It is shown that the stunted jet bias is the result of too strong heating that occurs just south of the jet core over and near Tibet. Furthermore, it is shown that the poleward shift of the NPSJ can be corrected in the current GEOS-5 AGCM by increasing the vertical resolution. The implications of these results for improving warm season forecasts of extreme events will be discussed.

NPS↗
DOE OSTI2023

Electromagnetic Response of Superconducting RF Cavities

Recently reported anomalies in frequency shift of order δƒ ~ 0.1–10 kHz for Niobium SRF cavities in a narrow temperature region near T c ≃ 9 K are sensitive to the surface preparation and Nitrogen doping. We developed methods for calculating the surface current response of Nb SRF cavities, as well as the resonant frequency shift and quality factor, as functions of temperature, frequency and disorder based on the Keldysh formulation of the theory for nonequilibrium superconductivity coupled with Maxwell’s theory and boundary conditions for the response functions and electromagnetic field. We show that the anomaly is sensitive to impurity disorder. Our results for the anomaly in the frequency shift are in good agreement with experimental results for Nb with an anisotropic gap on the Fermi surface and inhomogeneous non-magnetic disorder. We also show that the quality factor as a function of the impurity scattering rate is maximum for in SRF cavities with intermediate disorder, ℏ/τΔ~O(1) with the maximum $Q$ decreasing with increasing frequency.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1972

Proximity effect between superconductivity and normal metals

The SNS junctions were limited to having gold (n) layers of less than 3000 A in order to avoid having the tin (S) films become normal under the influence of the signal current in the gold. The gold layer was alloyed with 10 wt% copper to shorten its electronic mean free path, increasing the tin layer critical current while decreasing the Josephson critical current. It was also found that a previously reported anomalous voltage shift in the presence of I2 is caused by the tin being driven normal. After deposition, the samples were transferred to a conventional cryostat to provide better thermal contact to the films. This reduction of heating in the films produced more linear I-V characteristics and a change in the constant voltage current gain. In order to achieve power gain the SNS device must be operated at lower temperatures were the effects of fluctuations are less and be constructed such that the input resistance is much reduced and the dynamic output resistance increased. A geometry is proposed using a more sophisticated evaporator.

Meissner, H.↗
DOE OSTI2021

Assessing the ASME Section III, Division 5, Class A Primary Load Design Rules Against Creep Notch Effects

This report assesses the ASME Section III, Division 5, Subsection HB, Subpart B rules covering the design and construction of high temperature Class A nuclear reactor components for their robustness against creep notch effects. The creep notch effect combines the effect of multiaxial stresses on material creep deformation and damage. This report considers both effects, including the potential for creep mechanism shifts affecting the extrapolation of design data from high stress, short-time experimental data to low stress, long time operating component conditions. The report summarizes the history of and literature on multiaxial creep and surveys the current ASME design rules dealing with multiaxial effects. The report then describes the results of two dedicated numerical studies, one assessing the robustness of the ASME rules against uncertainty in extrapolating from uniaxial creep test data to multiaxial component conditions and a second study examining the potential effects of a mechanism shift from high stress, dislocation-mediated creep to diffusion-dominated creep at lower stresses. The final conclusion of the report is that the ASME rules adequately guard against multiaxial creep failure, though there are several aspects of the Code that could be optimized to provide less over-conservative design predictions or to provide a more consistent design margin as a function of temperature and stress. In a few areas, particularly the potential for mechanism shifts outside the currently-available experimental data, the Code rules should be revaluated as additional experimental data and new modeling and simulation results become available

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2016

Capturing Safety Requirements to Enable Effective Task Allocation Between Humans and Automaton in Increasingly Autonomous Systems

There is a current drive towards enabling the deployment of increasingly autonomous systems in the National Airspace System (NAS). However, shifting the traditional roles and responsibilities between humans and automation for safety critical tasks must be managed carefully, otherwise the current emergent safety properties of the NAS may be disrupted. In this paper, a verification activity to assess the emergent safety properties of a clearly defined, safety critical, operational scenario that possesses tasks that can be fluidly allocated between human and automated agents is conducted. Task allocation role sets were proposed for a human-automation team performing a contingency maneuver in a reduced crew context. A safety critical contingency procedure (engine out on takeoff) was modeled in the Soar cognitive architecture, then translated into the Hybrid Input Output formalism. Verification activities were then performed to determine whether or not the safety properties held over the increasingly autonomous system. The verification activities lead to the development of several key insights regarding the implicit assumptions on agent capability. It subsequently illustrated the usefulness of task annotations associated with specialized requirements (e.g., communication, timing etc.), and demonstrated the feasibility of this approach.

Neogi, Natasha A.↗
NASA NTRS1982

VLF wave growth and discrete emission triggering in the magnetosphere - A feedback model

A simple nonlinear feedback model is presented to explain VLF wave growth and emission triggering observed in VLF transmission experiments. The model is formulated in terms of the interaction of electrons with a slowly varying wave in an inhomogeneous medium as in an unstable feedback amplifier with a delay line; constant frequency oscillations are generated on the magnetic equator, while risers and fallers are generated on the downstream and upstream sides of the equator, respectively. Quantitative expressions are obtained for the stimulated radiation produced by energy exchanged between energetic electrons and waves by Doppler-shifted cyclotron resonance, and feedback between the stimulated radiation and the phase bunched currents is incorporated in terms of a two-port discrete time model. The resulting model is capable of explaining the observed temporal growth and saturation effects, phase advance, retardation or frequency shift during growth in the context of a single parameter depending on the energetic particle distribution function, as well as pretermination triggering.

Helliwell, R. A.↗
DOE OSTI2021

Suppression of ITG turbulence due to spectral shift during biasing induced H-mode on HBT-EP

Investigations of biasing induced H-mode discharges on HBT-EP show that the edge turbulence is consistent with the ion temperature gradient) mode and have allowed for the controlled observation of the effect of applied flow shear on the turbulence. Measurements of the radial wavenumber spectrum of floating potentials at the edge show that the turbulence intensity decreases with increasing shift in the spectrum average ⟨ k r ⟩ when increasing amounts of bias probe voltage (and increasing amounts of flow shear) is applied. This is in agreement with the spectral shift model [Staebler et al., Phys. Rev. Lett. 110, 055003 2013] for turbulence suppression via sheared flow. A shift in the wavenumber spectrum occurs at applied electrode voltages and currents below the threshold needed for an L–H transition, and a dithering transition is obtained when biasing near the threshold. Suppression of blob-filament turbulence in the scrape-off layer (SOL) precedes the L–H transition, with the SOL turbulence remaining low throughout the dithering phase, despite the modulation of turbulence levels in the nearby edge. This demonstrates that the SOL turbulence “decouples” from the edge turbulence. The spectral shift in the measured radial wavenumber is corroborated by the direct measurement of eddy tilt angle using a novel time delay analysis technique first developed for Doppler reflectometry [Pinzon et al., Plasma Phys. Controlled Fusion 61, 105009 (2019)] but adapted here for floating potential measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Triboelectric backgrounds to radio-based polar ultra-high energy neutrino (UHEN) experiments

Here, in the hopes of observing the highest-energy neutrinos (E EeV) populating the Universe, both past (RICE, AURA, ANITA) and current (RNO-G, ARIANNA, ARA and TAROGE-M) polar-sited experiments exploit the impulsive radio emission produced by neutrino interactions. In such experiments, rare single event candidates must be unambiguously identified above backgrounds. Background rejection strategies to date primarily target thermal noise fluctuations and also impulsive radio-frequency signals of anthropogenic origin. In this paper, we consider the possibility that ‘fake’ neutrino signals may also be generated naturally via the ‘triboelectric effect.’ This broadly describes any process in which force applied at a boundary layer results in displacement of surface charge, leading to the production of an electrostatic potential difference V. Wind blowing over granular surfaces such as snow can induce such a potential difference, with subsequent coronal discharge. Discharges over timescales as short as nanoseconds can then lead to radio-frequency emissions at characteristic MHz–GHz frequencies. Using data from various past (RICE, AURA, SATRA, ANITA) and current (RNO-G, ARIANNA and ARA) neutrino experiments, we find evidence for such backgrounds, which are generally characterized by: (a) a threshold wind velocity which likely depends on the experimental trigger criteria and layout; for the experiments considered herein, this value is typically $\mathscr{O}$(10 m/s), (b) frequency spectra generally shifted to the low-end of the frequency regime to which current radio experiments are typically sensitive (100–200 MHz), (c) for the strongest background signals, an apparent preference for discharges from above-surface structures, although the presence of more isotropic, lower amplitude triboelectric discharges cannot be excluded.

Background rejection↗