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At least 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Intermittent oxidation kinetics and metal/oxide interfacial undulation

The phenomenon of oxygen-adsorption-induced surface restructuring is widespread across various metal-oxygen systems, yet its impact on initiating bulk oxide formation remains largely unexplored. In this study, through in-situ atomic-resolution electron microscopy observations of surface oxidation of Cu(110) and Cu 85 Au 15 (110), we unveil intermittent oxide-film growth modulated by oxygen-induced surface restructuring. This modulation is evidenced by repeated pinning of Cu 2 O growth front at isolated Cu columns of the c(6×2)-O reconstruction, owing to required long-range diffusion of Cu and O atoms to the Cu 2 O growth front. We reveal that Cu vacancies, generated at the Cu 2 O growth front, are injected into the Cu 2 O/Cu interface, inducing hill-and-valley undulation of the Cu 2 O film. In contrast, atomic vacancies produced during the Cu 85 Au 15 (110) oxidation preferentially migrate into interfaces between Au-rich and Au-poor regions in the bulk, resulting in a flat and adherent Cu 2 O film. These findings demonstrate the critical role of oxygen-induced surface restructuring in modulating oxide-film-growth kinetics and manipulability of the fate of injected vacancies by alloying, thereby offering insights applicable to a broader range of metal-oxygen systems for fine-tuning oxidation kinetics and enhancing oxide/metal interfacial adhesion.

25 ENERGY STORAGE↗
DOE OSTI2025

Finite-temperature kinetic ferromagnetism in the square-lattice Hubbard model

While the exact phase diagram of the Fermi-Hubbard model remains poorly understood despite decades of progress, nearly 60 years ago Nagaoka proved that a single dopant in an otherwise halffilled Hubbard system can bring about ferromagnetism through kinetic means. The phenomenon was recently observed with ultracold atoms in triangular optical lattices. Here, we explore the kinetic ferromagnetism within the square lattice Hubbard model and its strong-coupling counterpart, the t − J model, at finite temperatures in the thermodynamic limit via numerical linked-cluster expansions. We find evidence of ferromagnetic Nagaoka polarons at dopings up to ∼ 30% away from half filling for a variety of interaction strengths and at temperatures as low as 0.2 of the hopping energy. We map out the boundaries of this phase through analyzing various correlation functions.

Newby, Robin C. [San José State University] (ORCID↗
DOE OSTI2020

Total kinetic energy release in the fast-neutron-induced fission of Np 237

The total kinetic energy (TKE) release in the fast neutron-induced fission of 237Np was measured for neutron energies from En = 2.6–100 MeV at the Los Alamos Neutron Science Center at the Weapons Neutron Research facility. The post-TKE release decreases nonlinearly with increasing incident neutron energy and can be represented as TKE(MeV) = (174.38 ± 0.72) – (5.11 ± 0.5821) log 10 E n for En > 1 MeV. Analysis of the fragment mass distributions indicates that the decrease in TKE with increasing E n is a consequence of the fading out of shell effects at high excitation energies (resulting in an increase of symmetric fission) and the decrease of the total kinetic energy associated with asymmetric fission with increasing E n .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Kinetic-energy dissipation and fluctuations in strongly damped heavy-ion collisions within the stochastic mean-field approach

Microscopic mean-field approaches have been successful in describing the most probable reaction outcomes in low-energy heavy-ion reactions. However, those approaches are known to severely underestimate dispersions of observables around the average values that has limited their applicability. Recently it has been shown that a quantal transport approach based on the stochastic mean-field (SMF) theory significantly improves the description, while its application has been limited so far to fragment mass and charge dispersions. In this work, we extend the quantal transport approach based on the SMF theory for relative kinetic energy dissipation and angular momentum transfer in low-energy heavy-ion reactions. Based on the SMF concept, analytical expressions are derived for the radial and tangential friction and associated diffusion coefficients. Those quantal transport coefficients are calculated microscopically in terms of single-particle orbitals within the time-dependent Hartree-Fock (TDHF) approach. As the first application of the proposed formalism, we consider the radial linear momentum dispersion, neglecting the coupling between radial and angular momenta. We analyze the total kinetic energy (TKE) distribution of binary reaction products in the 136 Xe + 208 Pb reaction at E c.m. =526 MeV and compare with experimental data. From time evolution of single-particle orbitals in TDHF, the radial diffusion coefficient is computed on a microscopic basis, while a phenomenological treatment is introduced for the radial friction coefficient. By solving the quantal diffusion equation for the radial linear momentum, the dispersion of the radial linear momentum is obtained, from which one can construct the TKE distribution. We find that the calculations provide a good description of the TKE distribution for strongly damped events with large energy losses, TKEL ≳ 150 MeV. However, the calculations underestimate the TKE distribution for smaller energy losses. Further studies are needed to improve the technical details of calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Nonequilibrium kinetic freeze-out properties in relativistic heavy ion collisions from energies employed at the RHIC beam energy scan to those available at the LHC

In this paper, we investigate the kinetic freeze-out properties in relativistic heavy ion collisions at different collision energies. We present a study of standard Boltzmann-Gibbs blast-wave (BGBW) fits and Tsallis blast-wave (TBW) fits performed on the transverse momentum spectra of identified hadrons produced in Au + Au collisions at collision energies of $\sqrt{s_{\rm{NN}}}=$7.7 –200 GeV at the Relativistic Heavy Ion Collider (RHIC), and in Pb + Pb collisions at collision energies of $\sqrt{s_{\rm{NN}}}=$ 2.76 and 5.02 TeV at the Large Hadron Collider (LHC). The behavior of strange and multistrange particles is also investigated. We found that the TBW model describes data better than the BGBW one overall, and the contrast is more prominent as the collision energy increases as the degree of nonequilibrium of the produced system is found to increase. From TBW fits, the kinetic freeze-out temperature at the same centrality shows a weak dependence of collision energy between 7.7 and 39 GeV, while it decreases as collision energy continues to increase up to 5.02 TeV. The radial flow is found to be consistent with zero in peripheral collisions at RHIC energies but sizable at LHC energies and central collisions at all RHIC energies. We also observed that the strange hadrons, with higher temperature and similar radial flow, approach equilibrium more quickly from peripheral to central collisions than light hadrons. The dependence of temperature and flow velocity on nonequilibrium parameter (q - 1) is characterized by two second-order polynomials. Both a and dξ from the polynomials fit, related to the influence of the system bulk viscosity, increase toward lower RHIC energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Stochastic hydrodynamics and hydro-kinetics: Similarities and differences

The hydro-kinetic formalism has been used as a complementary approach to solving the Stochastic Differential Equations (SDE) corresponding to noisy hydrodynamics. The hydro-kinetic formalism consists of a deterministic set of relaxation type equations that tracks the evolution of 2-point correlation functions of stochastic hydrodynamic quantities. Hence they are comparatively easier to solve than the SDEs, which are computationally intensive and need to deal with arbitrarily large gradients. This work compares the two approaches for the propagation and diffusion of conserved charge fluctuations in the Bjorken hydrodynamic model. For white noise, the two approaches agree. For colored Catteneo noise, which is causal, the two approaches diverge. This is because white noise only induces two-point correlations, while Catteneo noise also induces higher-order correlations. Furthermore, this difference is quantified from the effects of causal evolution and influence from higher-order correlations induced by the Catteneo noise.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Kinetic approach of light-nuclei production in intermediate-energy heavy-ion collisions

We develop a kinetic approach to the production of light nuclei up to mass number A ≤ 4 in intermediate-energy heavy-ion collisions by including them as dynamic degrees of freedom. The conversions between nucleons and light nuclei during the collisions are incorporated dynamically via the breakup of light nuclei by a nucleon and their reverse reactions. We also include the Mott effect on light nuclei; i.e., a light nucleus will no longer be bound if the phase-space density of its surrounding nucleons is too large. With this kinetic approach, we obtain a reasonable description of the measured yields of light nuclei in central Au+Au collisions at energies of 0.25⁢A GeV–1.0⁢A GeV by the FOPI Collaboration. Our study also indicates that the observed enhancement of the α-particle yield at low incident energies can be attributed to a weaker Mott effect on the α particle, which makes it more difficult to dissolve in nuclear medium, as a result of its much larger binding energy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

New limit on dark photon kinetic mixing in the 0.2 – 1.2 μ eV mass range from the Dark E-field Radio experiment

We report new limits on the kinetic mixing strength of the dark photon spanning the mass range 0.21 − 1.24 μ eV corresponding to a frequency span of 50–300 MHz. The Dark E-field Radio experiment is a wideband search for dark photon dark matter. In this paper we detail changes in calibration and upgrades since our proof-of-concept pilot run. Our detector employs a wide-bandwidth E-field antenna moved to multiple positions in a shielded room, a low noise amplifier, wideband analog-to-digital converter, followed by a 2 24 -point fast Fourier transform. An optimal filter searches for signals with Q ≈ 10 6 . In nine days of integration, this system is capable of detecting dark photon signals corresponding to a kinetic mixing strength ε several orders of magnitude lower than previous limits. We find a 95% exclusion limit on ε over this mass range between 6 × 10 − 15 and 6 × 10 − 13 , tracking the complex resonant mode structure in the shielded room. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2022

Ionization waves in low-current dc discharges in noble gases obtained with a hybrid kinetic-fluid model

A hybrid kinetic-fluid model is used to study ionization waves (striations) in a low-current plasma column of dc discharges in noble gases. Coupled solutions of a kinetic equation for electrons, a drift-diffusion equation for ions, and a Poisson equation for the electric field are obtained to clarify the nature of plasma stratification in the positive column. A simplified two-level excitation-ionization model is used for the conditions when the nonlinear effects due to stepwise ionization, gas heating, and Coulomb interactions among electrons are negligible. It is confirmed that the nonlocal effects are responsible for the formation of moving striations in dc discharges at low plasma densities and low values of pR (the product of gas pressure and tube radius). Here, the calculated properties of self-excited waves of S–, P–, and R types in neon and S type in argon agree with available experimental data. The reason for helium plasma stability to stratification is clarified. It is shown that sustaining stratified plasma is more efficient than striation-free plasma when the ionization rate is a nonlinear function of the electric field. However, the nonlinear dependence of the ionization rate on the electric field is not required for plasma stratification. Striations of S–, P–, and R types in neon exist with minimal or no ionization enhancement. Effects of the column length and plasma density on the wave properties are demonstrated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Electron Kinetics Induced by Ultrafast Photoexcitation of Warm Dense Matter in a 30-nm-Thick Foil

We report on the study of electron kinetics induced by intense femtosecond (fs) laser excitation of electrons in the 5d band of Au. Changes in the electron system are observed from the temporal evolution of ac conductivity and conduction electron density. The results reveal an increase of electron thermalization time with excitation energy density, contrary to the Fermi-liquid behavior of the decrease of thermalization time associated with the heating of conduction electrons. This is attributed to the severe mitigation of photoexcitation by Auger decay. The study also uncovers the shortening of 5d hole lifetime with the increase of photoexcitation rates. Overall, these unique findings provide valuable insights for understanding electron kinetics under extreme nonequilibrium conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Non-Fermi Liquids from Kinetic Constraints in Tilted Optical Lattices

Here we study Fermi-Hubbard models with kinetically constrained dynamics that conserves both total particle number and total center of mass, a situation that arises when interacting fermions are placed in strongly tilted optical lattices. Through a combination of analytics and numerics, we show how the kinetic constraints stabilize an exotic non-Fermi liquid phase described by fermions coupled to a gapless bosonic field, which in several respects mimics a dynamical gauge field. This offers a novel route towards the study of non-Fermi liquid phases in the precision environments afforded by ultracold atom platforms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Modeling kinetic effects of charged vacancies on electromechanical responses of ferroelectrics: Rayleighian approach

Understanding the time-dependent effects of charged vacancies on the electromechanical responses of materials is at the forefront of research for designing materials exhibiting metal-insulator transitions and memristive behavior. A Rayleighian approach is used to develop a model for studying the nonlinear kinetics of the reaction leading to generation of vacancies and electrons via the dissociation of vacancy-electron pairs. Also, diffusion and elastic effects of charged vacancies are considered to model polarization-electric potential and strain-electric potential hysteresis loops. The model captures multiphysics phenomena by introducing couplings among polarization, the electric potential, stress, strain, and concentrations of charged (multivalent) vacancies and electrons (treated as classical negatively charged particles), where the concentrations can vary due to association-dissociation reactions. A derivation of coupled time-dependent equations based on the Rayleighian approach is presented. Three limiting cases of the governing equations are considered, highlighting the effects of (1) nonlinear reaction kinetics on the generation of charged vacancies and electrons, (2) Vegard's law (i.e., the concentration-dependent local strain) on asymmetric strain-electric potential relations, and (3) coupling between a fast component and the slow component of the net polarization on the polarization-electric-field relations. The Rayleighian approach discussed in this work should pave the way for developing a multiscale modeling framework in a thermodynamically consistent manner while capturing multiphysics phenomena in ferroelectric materials. Published by the American Physical Society 2025

Kumar, Rajeev (ORCID:0000000194943488)↗
DOE OSTI2025

Relativistic approach to manipulating angular distribution of charged particles via kinetic equations

Deflection angles of charged particles interacting with materials play a critical role in various plasma applications. The development of a mathematically well-posed kinetic collision operator that accounts for deflection angles of strong Coulomb interactions remains a fundamental open problem. This paper presents a relativistic method for modifying the electromagnetic field in an anisotropic and adjustable manner to manipulate a system of charged particles, specifically by the transfer of angular momentum from a superluminal wave source to particles at specific times and locations. The method provides a mechanism to influence the scattering outcomes of strong interactions by manipulating the angular distribution of particles, and thus the deflection angles of their interactions with a solid surface, without requiring detailed knowledge of the kinetic collision operator. To this end, we demonstrate how a specific type of singularity, generated by Maxwell's equations for a superluminal wave source at the boundary of the plasma, can modify the electromagnetic field in a highly directional manner. The proposed method can lead to the development of novel approaches for controlling interactions of charged particles with a material in plasma systems. Published by the American Physical Society 2025

Moini, Nima (ORCID:0009000929568824)↗
DOE OSTI2021

Three-Wave Mixing Kinetic Inductance Traveling-Wave Amplifier with Near-Quantum-Limited Noise Performance

We present a theoretical model and experimental characterization of a microwave kinetic inductance traveling-wave (KIT) amplifier, whose noise performance, measured by a shot-noise tunnel junction (SNTJ), approaches the quantum limit. Biased with a dc current, this amplifier operates in a three-wave mixing fashion, thereby reducing by several orders of magnitude the power of the microwave pump tone and associated parasitic heating compared to conventional four-wave mixing KIT amplifier devices. It consists of a 50 Ω artificial transmission line whose dispersion allows for a controlled amplification bandwidth. We measure $16.5^{+1}_{–1.3}$ dB of gain across a 2 GHz bandwidth with an input 1 dB compression power of –63 dBm, in qualitative agreement with theory. Using a theoretical framework that accounts for the SNTJ-generated noise entering both the signal and idler ports of the KIT amplifier, we measure the system-added noise of an amplification chain that integrates the KIT amplifier as the first amplifier. This system-added noise, 3.1 ± 0.6 quanta (equivalent to 0.66 ± 0.15 K) between 3.5 and 5.5 GHz, is the one that a device replacing the SNTJ in that chain would see. This KIT amplifier is therefore suitable to read large arrays of microwave kinetic inductance detectors and promising for multiplexed superconducting qubit readout.

42 ENGINEERING↗
DOE OSTI2023

Electromagnetic Properties of Aluminum-based Bilayers for Kinetic Inductance Detectors

The complex conductivity of a superconducting thin film is related to the quasiparticle density, which depends on the physical temperature and can also be modified by external pair breaking with photons and phonons. This relationship forms the underlying operating principle of Kinetic Inductance Detectors (KIDs), where the detection threshold is governed by the superconducting energy gap. We investigate the electromagnetic properties of thin-film aluminum that is proximitized with either a normal metal layer of copper or a superconducting layer with a lower T-C, such as iridium, in order to extend the operating range of KIDs. Using the Usadel equations along with the Nam expressions for complex conductivity, we calculate the density of states and the complex conductivity of the resulting bilayers to understand the dependence of the pair breaking threshold, surface impedance, and intrinsic quality factor of superconducting bilayers on the relative film thicknesses. The calculations and analyses provide theoretical insights in designing aluminum-based bilayer kinetic inductance detectors for detection of microwave photons and athermal phonons at the frequencies well below the pair breaking threshold of a pure aluminum film.

complex conductivity↗
DOE OSTI2020

Biological evaluation of Keggin‐type polyoxometalates on tyrosinase: Kinetics and molecular modeling

Abstract Abnormal overexpression of tyrosinase activity can lead to the production of hyperpigmentation in human skin and enzymatic browning in fruits and vegetables. Herein, the inhibition and mechanism of the H 3 PMo 12 O 40 and two transition metal‐substituted Keggin‐type polyoxometalates (Na 7 PMo 11 CoO 40 and Na 7 PMo 11 ZnO 40 ) on tyrosinase were studied by kinetics and molecular modeling. Kinetic studies indicated that all compounds had more potent inhibitory activities than standard arbutin, and H 3 PMo 12 O 40 (IC 50 = 0.443 ± 0.006 m m ) is ~15‐fold stronger inhibition than arbutin. Additionally, all compounds inhibited tyrosinase in a reversible competitive manner. Intriguingly, molecular modeling elucidated that three compounds competitively bind to tyrosinase mainly through more interactions with Cu 2+ ions and the amino acid residue capable of forming cation‐π and hydrogen bonding, forming a reversible non‐covalent complex. Molecular simulation study correlated well with the biological activity of three compounds in vitro. This work provided new insights into design and synthesis of polyoxometalates as tyrosinase inhibitors in the field of medicine, cosmetic, and food.

Chi, Guoxiang↗
DOE OSTI2020

Modeling batch melting: Roles of heat transfer and reaction kinetics

Development of mathematical models of heat and mass transfer in glass-melting furnaces began in the 1970s and progressed rapidly with advances in sophisticated experimental/numerical techniques and increasing computational power. Today, practically all newly built or rebuilt furnaces are optimized with these models to meet stringent quality requirements, reduce the unit costs of manufacturing, or control emissions. One remaining hurdle is to model the batch-to-glass conversion accurately enough to reliably assess the glass production rate. This article summarizes two key aspects of the batch-conversion modeling—the heat transfer and the kinetics of conversion—and reviews the current state-of-the-art approaches to simulating them. We critically examine the advantages of the commonly used heat transfer approach, but also explain that its predictive capabilities are significantly restricted by the dependence of batch thermal properties on the time-temperature history. We argue that kinetic approaches to the batch-conversion modeling would offer a significant improvement when coupled with the heat transfer approach. Finally, we summarize key areas requiring further research on the way toward a realistic model of the batch blanket.

Pokorny, Richard↗
DOE OSTI2024

Using in situ UO 2 bicrystal sintering to understand grain boundary dislocation nucleation kinetics and creep

Capillary evolution at bicrystal UO 2 grain boundaries is characterized using in situ transmission electron microscopy. The discontinuous nature of the densification process, both particle rotation and axial strain, along with the large activation stress for densification support a hypothesis that grain boundary strain in UO 2 follows nucleation rate limited kinetics at low to intermediate stresses, that is, less than ≈ 10 8 PA. Further, the temperature dependence of the average activation stress for sintering agrees well with analysis of bulk sintering data and creep data reported within the literature when analyzed in the context of a grain boundary dislocation nucleation rate limited kinetic model.

36 MATERIALS SCIENCE↗