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Results for “sensitivity theory”

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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Do chaotic field lines cause fast reconnection in coronal loops?

Over the past decade, Boozer has argued that three-dimensional (3D) magnetic reconnection fundamentally differs from two-dimensional reconnection due to the fact that the separation between any pair of neighboring field lines almost always increases exponentially over distance in a 3D magnetic field. According to Boozer, this feature makes 3D field-line mapping chaotic and exponentially sensitive to small non-ideal effects; consequently, 3D reconnection can occur without intense current sheets. We test Boozer's theory via ideal and resistive reduced magnetohydrodynamic simulations of the Boozer–Elder coronal loop model driven by sub-Alfvénic footpoint motions [A. H. Boozer and T. Elder, Phys. Plasmas 28, 062303 (2021)]. In this work, our simulation results significantly differ from their predictions. The ideal simulation shows that Boozer and Elder under-predict the intensity of current density due to missing terms in their reduced model equations. Furthermore, resistive simulations of varying Lundquist numbers show that the maximal current density scales linearly rather than logarithmically with the Lundquist number.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Generalized entanglement capacity of de Sitter space

Near horizons, quantum fields of low spin exhibit densities of states that behave asymptotically like 1 + 1 dimensional conformal field theories. In effective field theory, imposing some short-distance cutoff, one can compute thermodynamic quantities associated with the horizon, and the leading cutoff sensitivity of the heat capacity is found to equal to the leading cutoff sensitivity of the entropy. One can also compute contributions to the thermodynamic quantities from the gravitational path integral. For the cosmological horizon of the static patch of de Sitter space, a natural conjecture for the relevant heat capacity is shown to equal the Bekenstein-Hawking entropy. These observations allow us to extend the well-known notion of the generalized entropy to a generalized heat capacity for the static patch of de Sitter (dS). The finiteness of the entropy and the nonvanishing of the generalized heat capacity suggest it is useful to think about dS as a state in a finite dimensional quantum gravity model that is not maximally uncertain. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Leading order track functions in a hot and dense QGP

We study the modifications to the fragmentation pattern of partons into charged particles in the presence of a hot and dense quark gluon plasma. To this end, we analyze the perturbative renormalization group equations of the track functions, which describe the energy fraction carried by charged hadrons. Focusing on pure Yang-Mills theory, we compute the lowest-order moments of the medium-modified track functions, which are found to be sensitive to the reduced phase space for emissions in the medium and to energy loss. We use the extracted moments to calculate the energy energy correlator (EEC) on tracks in the collinear limit. The EEC on medium-evolved tracks does not differ qualitatively from the EEC on vacuum tracks despite being sensitive to the color decoherence transition and suppressing the distribution due to quenching, as seen in other jet observables. Published by the American Physical Society 2024

Barata, João (ORCID:0000000342864555)↗
DOE OSTI2023

Boosting new physics searches in $$t{\bar{t}}Z$$ and tZj production with angular moments

Abstract The angular moments of the Z boson can be used as analyzers for the underlying production dynamics for the $$t{{\bar{t}}} Z$$ t t ¯ Z and tZj processes. In this manuscript, we derive these angular moments at leading and next-to-leading order in QCD at the LHC. We show that these observables work as efficient probes to beyond the Standard Model effects, considering the Standard Model Effective Field theory framework. Remarkably, we observe that these probes unveil blind directions to CP-odd operators, providing sizable new physics sensitivity at the 14 TeV LHC with 3 ab $$^{-1}$$ - 1 of data.

Physics↗
DOE OSTI2026

Measurement of the azimuthal anisotropy of charged particles in sNN=5.36TeV O16+O16 and Ne20+Ne20 collisions with the ATLAS detector

This paper presents the first measurements of the azimuthal anisotropy coefficients , which quantify the -order Fourier modulation of charged-particle azimuthal distributions, for in and collisions recorded with the ATLAS detector at the CERN Large Hadron Collider in 2025. The coefficients are measured as a function of transverse momentum ( ), collision centrality, and event multiplicity. They are extracted using two complementary methods: two-particle correlations with a template-fit subtraction of short-range nonflow contributions, and four-particle subevent cumulants, which intrinsically suppress nonflow effects and provide sensitivity to flow fluctuations. The results show a clear hierarchy and a nonmonotonic dependence on , reaching a maximum around , consistent with trends observed in heavy-ion collisions. Detailed comparisons between the two collision systems reveal an enhanced in central collisions, consistent with theory expectations based on the predicted prolate deformation of neon nuclei, in contrast to the slightly tetrahedral structure predicted for oxygen. The four-particle cumulant results highlight strong event-by-event fluctuations and provide the greatest sensitivity to nuclear shape effects. These measurements can place new constraints on the initial geometry and the hydrodynamic response in light-ion collisions, offering valuable input for models of nuclear structure.

Aad, G↗
DOE OSTI2020

Skyrmion lattice creep at ultra-low current densities

Abstract Magnetic skyrmions are well-suited for encoding information because they are nano-sized, topologically stable, and only require ultra-low critical current densities j c to depin from the underlying atomic lattice. Above j c skyrmions exhibit well-controlled motion, making them prime candidates for race-track memories. In thin films thermally-activated creep motion of isolated skyrmions was observed below j c as predicted by theory. Uncontrolled skyrmion motion is detrimental for race-track memories and is not fully understood. Notably, the creep of skyrmion lattices in bulk materials remains to be explored. Here we show using resonant ultrasound spectroscopy—a probe highly sensitive to the coupling between skyrmion and atomic lattices—that in the prototypical skyrmion lattice material MnSi depinning occurs at $${j}_{c}^{* }$$ j c * that is only 4 percent of j c . Our experiments are in excellent agreement with Anderson-Kim theory for creep and allow us to reveal a new dynamic regime at ultra-low current densities characterized by thermally-activated skyrmion-lattice-creep with important consequences for applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Probing proton cross-shell excitations through the two-neutron removal from 38 Ca

Bound states of the neutron-deficient, near-dripline nucleus 36 Ca were populated in two-neutron removal from the ground state of 38 Ca, a direct reaction sensitive to the single-particle configurations and couplings of the removed neutrons in the projectile wave function. Final-state exclusive cross sections for the formation of 36 Ca and the corresponding longitudinal momentum distributions, both determined through the combination of particle and γ-ray spectroscopy, are compared to predictions combining eikonal reaction theory and shell-model two-nucleon amplitudes from the USDB, USDC, and ZBM2 effective interactions. The final-state cross-section ratio σ($2$$^{+}_{1}$) / σ (0 + ) shows particular sensitivity and is approximately reproduced only with the two-nucleon amplitudes from the ZBM2 effective interaction that includes proton cross-shell excitations into the pf shell. Characterizing the proton pf-shell occupancy locally and schematically, an increase of the sd – pf shell gap by 250 keV yields an improved description of this cross-section ratio and simultaneously enables a reproduction of the B(E2;$0$$^{+}_{1}$ → $2$$^{+}_{1}$) excitation strength of 36 Ca. Furthermore, this highlights an important aspect if a new shell-model effective interaction for the region was to be developed on the quest to model the neutron-deficient Ca isotopes and surrounding nuclei whose structure is impacted by proton cross-shell excitations.

20 ≤ A ≤ 38↗
DOE OSTI2020

Local Strain and Polarization Mapping in Ferrielectric Materials

CuInP 2 S 6 (CIPS) is a van der Waals material that has attracted attention because of its unusual properties. Recently, a combination of density functional theory (DFT) calculations and piezoresponse force microscopy (PFM) showed that CIPS is a uniaxial quadruple-well ferrielectric featuring two polar phases and a total of four polarization states that can be controlled by external strain. In this study, we combine DFT and PFM to investigate the stress-dependent piezoelectric properties of CIPS, which have so far remained unexplored. The two different polarization phases are predicted to differ in their mechanical properties and the stress sensitivity of their piezoelectric constants. This knowledge is applied to the interpretation of ferroelectric domain images, which enables investigation of local strain and stress distributions. The interplay of theory and experiment produces polarization maps and layer spacings which we compare to macroscopic X-ray measurements. We found that the sample contains only the low-polarization phase and that domains of one polarization orientation are strained, whereas domains of the opposite polarization direction are fully relaxed. The described nanoscale imaging methodology is applicable to any material for which the relationship between electromechanical and mechanical characteristics is known, providing insight on structural, mechanical, and electromechanical properties down to ~10 nm length scales.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Identifying and Tuning the In Situ Oxygen-Rich Surface of Molybdenum Nitride Electrocatalysts for Oxygen Reduction

Rigorous in situ studies of electrocatalysts are required to enable the design of higher performing materials. Nonplatinum group metals for oxygen reduction reaction (ORR) catalysis containing light elements such as O, N, and C are known to be susceptible to both ex situ and in situ oxidation, leading to challenges associated with ex situ characterization methods. We have previously shown that the bulk O content plays an important role in the activity and selectivity of Mo–N catalysts, but further understanding of the role of composition and morphological changes at the surface is needed. Here, we report the measurement of in situ surface changes to a molybdenum nitride (MoN) thin film under ORR conditions using grazing incidence X-ray absorption and reflectivity. We show that the half-wave potential of MoN can be improved by ~90 mV by potential conditioning up to 0.8 V versus RHE. Utilizing electrochemical analysis, dissolution monitoring, and surface-sensitive X-ray techniques, we show that under moderate polarization (0.3–0.7 V vs RHE) there is local ligand distortion, O incorporation, and amorphization of the MoN surface, without changes in roughness. Furthermore, with a controlled potential hold procedure, we show that the surface changes concurrent with potential conditioning are stable under ORR relevant potentials. Conversely, at higher potentials (≥0.8 V vs RHE), the film incorporates O, dissolves, and roughens, suggesting that in this higher potential regime, the performance enhancements are due to increased access to active sites. Density functional theory calculations and Pourbaix analysis provide insights into film stability and O incorporation as a function of potential. These findings coupled with in situ electrochemical surface-sensitive X-ray techniques demonstrate an approach to studying nontraditional surfaces in which we can leverage our understanding of surface dynamics to improve performance with the rational, in situ tuning of active sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Kinetics of Carbon Condensation in Detonation of High Explosives: First-Order Phase Transition Theory Perspective

We report the kinetics of carbon condensation, or carbon clustering, in detonation of carbon-rich high explosives is modeled by solving a system of rate equations for concentrations of carbon particles. Unlike previous efforts, the rate equations account not only for the aggregation of particles but also for their fragmentation in a thermodynamically consistent manner. Numerical simulations are performed, yielding the distribution of particle concentrations as a function of time. In addition to that, analytical expressions are obtained for all the distinct steps and regimes of the condensation kinetics, which facilitates the analysis of the numerical results and allows one to study the sensitivity of the kinetic behavior to the variation of system parameters. The latter is important because the numerical values of many parameters are not reliably known at present. The theory of the kinetics of first-order phase transitions is found adequate to describe the general kinetic trends of carbon condensation, as described by the rate equations. Such physical phenomena and processes as the coagulation, nucleation, growth, and Ostwald ripening are observed, and their dependence on various system parameters is studied and reported. It is believed that the present work will become useful when analyzing the present and future results for the kinetics of carbon condensation, obtained from experiments or atomistic simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Low-energy limit of some exotic lattice theories and UV/IR mixing

We continue our exploration of exotic, gapless lattice and continuum field theories with subsystem global symmetries. In an earlier paper, we presented free lattice models enjoying all the global symmetries (except continuous translations), dualities, and anomalies of the continuum theories. Here, we study in detail the relation between the lattice models and the corresponding continuum theories. We do that by analyzing the spectrum of the theories and several correlation functions. These lead us to uncover interesting subtleties in the way the continuum limit can be taken. In particular, in some cases, the infinite volume limit and the continuum limit do not commute. Furthermore, this signals a surprising UV/IR mixing, i.e., long distance sensitivity to short distance details.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Phonon-Assisted Ballistic Current from First-Principles Calculations

The bulk photovoltaic effect (BPVE) refers to current generation due to illumination by light in a homogeneous bulk material lacking inversion symmetry. In addition to the intensively studied shift current, the ballistic current, which originates from asymmetric carrier generation due to scattering processes, also constitutes an important contribution to the overall kinetic model of the BPVE. In this Letter, we use a perturbative approach to derive a formula for the ballistic current resulting from the intrinsic electron-phonon scattering in a form amenable to first-principles calculation. We then implement the theory and calculate the ballistic current of the prototypical BPVE material BaTiO 3 using quantum-mechanical density functional theory. The magnitude of the ballistic current is comparable to that of the shift current, and the total spectrum (shift plus ballistic) agrees well with the experimentally measured photocurrents. Furthermore, we show that the ballistic current is sensitive to structural change, which could benefit future photovoltaic materials design.

14 SOLAR ENERGY↗
DOE OSTI2020

Probing Sulfur Chemical and Electronic Structure with Experimental Observation and Quantitative Theoretical Prediction of Kα and Valence-to-Core Kβ X-ray Emission Spectroscopy

An extensive experimental and theoretical study of the Kα and Kβ high-resolution X-ray emission spectroscopy (XES) of sulfur-bearing systems is presented here. This study encompasses a wide range of organic and inorganic compounds, including numerous experimental spectra from both prior published work and new measurements. Employing a linear-response time-dependent density functional theory (LR-TDDFT) approach, strong quantitative agreement is found in the calculation of energy shifts of the core-to-core Kα as well as the full range of spectral features in the valence-to-core Kβ spectrum. The ability to accurately calculate the sulfur Kα energy shift supports the use of sulfur Kα XES as a bulk-sensitive tool for assessing sulfur speciation. The fine structure of the sulfur Kβ spectrum, in conjunction with the theoretical results, is shown to be sensitive to the local electronic structure including effects of symmetry, ligand type and number, and, in the case of organosulfur compounds, to the nature of the bonded organic moiety. This agreement between theory and experiment, augmented by the potential for high-access XES measurements with the latest generation of laboratory-based spectrometers, demonstrates the possibility of broad analytical use of XES for sulfur and nearby third-row elements. The effective solution of the forward problem, i.e., successful prediction of detailed spectra from known molecular structure, also suggests future use of supervised machine learning approaches to experimental inference, as has seen recent interest for interpretation of X-ray absorption near-edge structure (XANES).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Influence of Rigidity–Hydration Coupling on Size-Dependent Diffusion in Hydrated Polymer Membranes

Selective ion transport in polymer membranes depends critically on how penetrant motion couples to polymer dynamics and hydration. Yet, the mechanistic interplay between polymer rigidity, water content, and penetrant size remains poorly understood, especially in the regime where the penetrant diameter, polymer Kuhn length, and correlation length are comparable. Here, we employ coarse-grained molecular dynamics simulations to systematically investigate penetrant diffusion in hydrated polymer networks across a broad range of water volume fractions, chain rigidities, and penetrant sizes. The results reveal a transition from a decoupled regime, where small penetrants diffuse nearly independently of polymer relaxation, to a coupled regime in which large penetrants require cooperative polymer motion for transport. Increasing polymer rigidity amplifies the sensitivity of diffusivity to hydration, particularly at low water content, leading to pronounced deviations from Stokes−Einstein scaling. Comparison with scaling theories and free-volume models shows that classical nanoparticle-based frameworks fail to capture this intermediate regime. To address this gap, we extend the Yasuda model to incorporate polymer rigidity through a single parameter that quantifies the dynamic contribution of chain stiffness to free-volume fluctuations. The resulting model collapses diffusivity data across all sizes, water contents, and rigidities, providing a unified description of penetrant transport in hydrated polymer matrices. Furthermore, these findings establish polymer rigidity as a key, tunable determinant of diffusion and offer a framework for interpreting size-dependent transport in ion-selective membranes.

diffusion↗
DOE OSTI2025

Linear magnetoconductivity as a probe of time-reversal symmetry breaking

Several optical experiments have shown that in magnetic materials, the principal axes of response tensors can rotate as an odd function of an applied magnetic field. Here we offer a microscopic explanation of this effect, and we propose a closely related dc transport phenomenon—an off-diagonal symmetric conductivity, linear and odd in a magnetic field, which we refer to as linear magnetoconductivity (LMC). Although LMC has the same functional dependence on a magnetic field as the Hall effect, its origin is fundamentally different: LMC requires time-reversal symmetry to be broken even before a magnetic field is applied, and is therefore a sensitive probe of magnetism. We demonstrate LMC in three different ways: via a tight-binding toy model, a density functional theory calculation on MnPSe3, and a semiclassical treatment. The third approach identifies two distinct mechanisms yielding LMC: momentum-dependent band magnetization and Berry curvature. Finally, we propose an experimental geometry suitable for detecting LMC, and we demonstrate its applicability using Landauer-Büttiker simulations. Our results emphasize the importance of measuring the full conductivity tensor in magnetic materials, and they introduce LMC as a new transport probe of symmetry.

Sunko, V↗
DOE OSTI2024

State-Selective Double Photoionization of Atomic Carbon and Neon

Double photoionization (DPI) allows for a sensitive and direct probe of electron correlation, which governs the structure of all matter. For atoms, much of the work in theory and experiment that informs our fullest understanding of this process has been conducted on helium, and efforts continue to explore many-electron targets with the same level of detail to understand the angular distributions of the ejected electrons in full dimensionality. Expanding on previous results, we consider here the double photoionization of two 2p valence electrons of atomic carbon and neon and explore the possible continuum states that are connected by dipole selection rules to the coupling of the outgoing electrons in 3P, 1D, and 1S initial states of the target atoms. Carbon and neon share these possible symmetries for the coupling of their valence electrons. Results are presented for the energy-sharing single differential cross section (SDCS) and triple differential cross section (TDCS), further elucidating the impact of the initial state symmetry in determining the angular distributions that are impacted by the correlation that drives the DPI process.

Yip, Frank L. (ORCID:000000025409495X)↗
DOE OSTI2021

Status of the Fermilab Muon g - 2 Experiment

The muon anomalous magnetic moment, aµ = ( g - 2 )/2, is a low-energy observable which can be both measured and computed with very high precision, making it an excellent test of the Standard Model (SM) and a sensitive probe of new physics. Recent efforts improved the precision of both the theoretical prediction and the experimental measurement. On the theory side, the Muon g - 2 Theory Initiative, an international team of more than 130 physicists, reached in 2020 a consensus on the SM prediction for aµ. On the experimental side, the E989 Muon g - 2 Collaboration at Fermilab (FNAL) published in April 2021 a new measurement of aµ from the Run-1 dataset (2018) with 0.46 ppm precision, corroborating the previous Brookhaven National Laboratory (BNL) measurement and increasing the discrepancy with the SM value to 4.2 standard deviations. In this paper, I will discuss the experimental setup and report on the current status of the experiment.

Girotti, Paolo↗
DOE OSTI2021

Corrosion of rebar in concrete. Part IV. On the theoretical basis of the chloride threshold

A theory is developed for calculating the chloride threshold (CT) from the Point Defect Model (PDM). CT is defined as the ratio [Cl - ]/[OH - ] at which the passivity breakdown voltage (E b ) equals the corrosion potential, ECP. CT is sensitive to the T, ECP, pH, and E b , because all four appear in the exponent X in CT = 10 X . Small uncertainties in these parameters translate into a large uncertainty in CT, emphasizing the need for accurate T, ECP, pH, and E b data. We demonstrate the theory by successfully calculating CT using data for selected systems.

36 MATERIALS SCIENCE↗