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DOE OSTI2023

Precision test of gauge/gravity duality in D0-brane matrix model at low temperature

We test the gauge/gravity duality between the matrix model and type IIA string theory at low temperatures with unprecedented accuracy. To this end, we perform lattice Monte Carlo simulations of the Berenstein-Maldacena-Nastase (BMN) matrix model, which is the one-parameter deformation of the Banks-Fischler-Shenker-Susskind (BFSS) matrix model, taking both the large N and continuum limits. We leverage the fact that sufficiently small flux parameters in the BMN matrix model have a negligible impact on the energy of the system while stabilizing the flat directions so that simulations at smaller N than in the BFSS matrix model are possible. Hence, we can perform a precision measurement of the large N continuum energy at the lowest temperatures to date. The energy is in perfect agreement with supergravity predictions including estimations of α'-corrections from previous simulations. At the lowest temperature where we can simulate efficiently (T = 0.25λ 1/3 , where λ is the ’t Hooft coupling), the difference in energy to the pure supergravity prediction is less than 10%. Furthermore, we can extract the coefficient of the 1/N 4 corrections at a fixed temperature with good accuracy, which was previously unknown.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Nonrad: Computing nonradiative capture coefficients from first principles

Point defects in semiconductor crystals provide a means for carriers to recombine nonradiatively. This recombination process impacts the performance of devices. We present the Nonrad code that implements the first-principles approach of Alkauskas et al. (2014) [8] for the evaluation of nonradiative capture coefficients based on a quantum-mechanical description of the capture process. An approach for evaluating electron-phonon coupling within the projector augmented wave formalism is presented. We also show that the common procedure of replacing Dirac delta functions with Gaussians can introduce errors into the resulting capture rate, and implement an alternative scheme to properly account for vibrational broadening. Finally, we assess the accuracy of using an analytic approximation to the Sommerfeld parameter by comparing with direct numerical evaluation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Emergency core cooling system performance criteria for Multi-Layered Silicon Carbide nuclear fuel cladding

Multi-layered Silicon Carbide (SiC) cladding has been proposed to replace the current Zircaloy (Zr) cladding in existing nuclear power plants. Due to its ceramic property, SiC may have a different failure mechanism from that of metallic Zr clad. This characteristic should be considered in designing the plant’s safety system performance, such that the fuel’s integrity is reasonably assured during accident scenarios. This paper aims at optimizing the Emergency Core Cooling System (ECCS) performance criteria in mitigating LBLOCA accidents at a Pressurized Water Reactor (PWR) using the uranium dioxide fuel and duplex or triplex SiC cladding structures. Clad failures by brittle fractures and thermal degradation were modeled in a fuel analysis code. This fuel model was coupled with the RELAP5 plant model by adapting the fuel’s mesh configuration and formulating the effective heat transfer coefficients. A model to quantify the likelihood of clad functional failure as a combination of individual layer fractures at various axial positions was proposed. Updated SiC material properties were gathered from recent reference studies. Clad reliability estimates using the proposed model were compared with the estimates obtained using other models. The results were used to relax the criterion of required actuation timing of ECCS, such that the risk of the new plant design is less or equal to that of the initial plant configuration. Triplex clad was more reliable than duplex clad and Zr, reducing the conditional core damage probability by three orders of magnitude in the reference LBLOCA scenario. Compressive stresses due to irradiation swelling played the determining role in the vulnerabilities of each clad design. The duplex clad was vulnerable to pressure-loading stresses while triplex clad was prone to fail due to thermal shocks experienced during the LOCA reflood phase. Additionally, it was concluded that the most vulnerable axial fuel rod location in the reference LBLOCA scenario was located at the highest axial power peaking location. A sensitivity study on the ECCS timing density was conducted. The results showed that ECCS actuation timing could be extended from the initial technical specification, without increasing the fuel damage likelihood. The time extension was distributed in the order of several hundreds of seconds, which was comparable with time extensions offered by FeCrAl and Cr-coated-Zr clad designs in LBLOCA scenarios. This time extension may potentially reduce the failure probabilities of EDGs and pumps, hence improving the plant safety further.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Thermomechanical analysis and modeling of a high-temperature light trapping planar cavity solar receiver

The development of durable particle-based high-temperature solar receivers is critical for advancing concentrating solar-thermal (CST) technologies to enable high-efficiency power generation and industrial process heat. Here, this study presents a computational framework to evaluate the thermomechanical performance of a proposed enclosed light-trapping planar cavity receiver designed for particle-based thermal energy systems. The receiver incorporates absorptive cavities and fluidized particle-bed channels to enhance heat capture and reduce thermal losses. Finite element analysis (FEA) is employed to assess stress, strain, and creep-fatigue behavior under concentrated solar flux using realistic thermal boundary conditions derived from coupled system models and experimental assembly parameters. The analysis investigates the influence of particle-to-wall heat transfer coefficients (HTC) ranging from 800 to 1800 W/m 2 .K on the thermomechanical response of six candidate high-temperature alloys: Alloy 740H, Alloy 282, Alloy 617, 316H, Alloy 230, and 800H. Results show that increasing HTC reduces thermal gradients, leading to lower stresses and strains and extended minimum predicted creep life. While all materials satisfy fatigue life requirements under the investigated conditions, significant differences in creep resistance are observed. Alloy 740H consistently exhibits the longest minimum predicted creep life and the most favorable durability margins, followed by Alloy 282, with the remaining materials showing reduced creep resistance under identical loading. The reported creep lives are conservative lower-bound estimates intended for comparative material evaluation. This framework highlights the critical roles of material selection and geometry optimization in improving mechanical durability and reliability of solar-thermal receivers, forming a foundation for future experimental validation and design optimization.

14 SOLAR ENERGY↗

DOE OSTI2017

Molecular Chemistry of Atmospheric Brown Carbon Inferred from a Nationwide Biomass Burning Event

Lag Ba'Omer, a nationwide bonfire festival in Israel, was chosen as a case study to investigate the influence of a major biomass burning event on the light absorption properties of atmospheric brown carbon (BrC). The chemical composition and optical properties of BrC chromophores were investigated using a high performance liquid chromatography (HPLC) platform coupled to photo diode array (PDA) and high resolution mass spectrometry (HRMS) detectors. Substantial increase of BrC light absorption coefficient was observed during the night-long biomass burning event. Most chromophores observed during the event were attributed to nitroaromatic compounds, comprising 28 elemental formulas of at least 63 structural isomers. The NAC, in combination, accounted for 50-80% of the total visible light absorption (> 400 nm) by solvent extractable BrC. The results highlight that NAC, particular nitrophenols, are important light absorption contributors of biomass burning organic aerosol (BBOA), suggesting that night time chemistry of ·NO 3 and N 2 O 5 with particles may play a significant role in atmospheric transformations of BrC. Nitrophenols and related compounds were especially important chromophores of BBOA. The absorption spectra of the BrC chromophores are influenced by the extraction solvent and solution pH, implying that the aerosol acidity is an important factor controlling the light absorption properties of BrC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Lepton asymmetry rate from quantum field theory: NLO in the hierarchical limit

The rates for generating a matter-antimatter asymmetry in extensions of the Standard Model (SM) containing right-handed neutrinos are the most interesting and least trivial co\-efficients in the rate equations for baryogenesis through thermal leptogenesis. We obtain a relation of these rates to finite-temperature real-time correlation functions, similar to the Kubo formulas for transport coefficients. Then we consider the case of hierarchical masses for the sterile neutrinos. At leading order in their Yukawa couplings we find a simple master formula which relates the rates to a single finite temperature three-point spectral function. It is valid to all orders in g , where g denotes a SM gauge or quark Yukawa coupling. We use it to compute the rate for generating a matter-antimatter asymmetry at next-to-leading order in g in the non-relativistic regime. The corrections are of order g {sup 2}, and they amount to 4% or less.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Complete quasilinear model for the acceleration-driven lower hybrid drift instability and a computational assessment of its validity

A complete quasilinear model is derived for the electrostatic acceleration-driven lower hybrid drift instability in a uniform two-species low-beta plasma in which current is perpendicular to the background magnetic field. The model consists of coupled nonlinear velocity space diffusion equations for the volume-averaged ion and electron distribution functions. Each species' diffusion coefficient depends on a time-evolving spectral density of the electric-field energy per unit volume and a time-evolving dispersion relation. The dispersion relation is expressed analytically in integral form without the use of asymptotic limits and applies to arbitrary distribution functions, so long as they can be expressed as a function of one velocity coordinate, e.g., f⁡(vy) or f⁡(v⊥). The quasilinear model conserves energy and is complete in that it fully describes the evolution of the distribution functions, including resonant and nonresonant particle-wave interactions, while accounting for distribution-function-dependent mixed-complex frequencies. Further, the quasilinear diffusion model is solved numerically and self-consistently using a Crank-Nicolson temporal discretization and a second-order finite-volume velocity-space discretization. Numerical solutions are compared to nonlinear fourth-order accurate continuum kinetic Vlasov-Poisson simulations. Evolution of electric-field energy, growth rates, distribution functions, and diffusion coefficients are shown to be in agreement with Vlasov simulations. The quasilinear model is shown to predict anomalous transport terms, like resistivity and heating, to within a factor of order unity. Discrepancies between the quasilinear model and Vlasov simulations are assessed and attributed primarily to lack of damping in the quasilinear description and to the use of unperturbed-orbit susceptibilities in the linear theory dispersion relation. The results illuminate the predictive accuracy of the quasilinear model, place approximate bounds on its validity, and provide much needed vetting of quasilinear theory's ability to predict the nonlinear state of a microturbulent plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Visualizing energy transfer between redox-active colloids

Redox-active colloids (RACs) represent a novel class of energy carriers that exchange electrical energy upon contact. Understanding contact-mediated electron transfer dynamics in RACs offers insights into physical contact events in colloidal suspensions and enables quantification of electrical energy transport in nonconjugated polymers. Redox-based electron transport was directly observed in monolayers of micron-sized RACs containing ethyl-viologen side groups via fluorescence microscopy through an unexpected nonlinear electrofluorochromism that is quantitatively coupled to the redox state of the colloid. Via imaging studies, using this electrofluorochromism, the apparent charge transfer diffusion coefficient D CT of the RAC was easily determined. The visualization of energy transport within suspensions of redox-active colloids was also demonstrated. Our work elucidates fundamental mechanisms of energy transport in colloidal systems, informs the development of next-generation redox flow batteries, and may inspire new designs of smart active soft matter including conductive polymers for applications ranging from electrochemical sensors and organic electronics to colloidal robotics.

Qu, Alan Subing [Univ. of Illinois at Urbana-Champ↗

DOE OSTI2022

Evaluation of coupled wind-wave model simulations of offshore winds in the Mid-Atlantic Bight using lidar-equipped buoys.

From 2014 to 2017, two Department of Energy buoys equipped with Doppler lidar were deployed off the U.S. East Coast to provide long term measurements of hub-height wind speed in the marine environment. In this study, we performed simulations of selected cases from the deployment using a 5-km configuration of the Weather Research and Forecasting (WRF) model, to see if simulated hub height speeds could produce closer agreement with the observations than existing reanalysis products. For each case we performed two additional simulations: one in which marine surface roughness height was one-way coupled to forecast wave parameters from a standalone WaveWatch III (WW3) simulation, and another in which WRF and WW3 were two-way coupled using the Coupled-Ocean-Atmosphere-Wave-Sediment-Transport (COAWST) framework. It was found that all the 5-km WRF simulations improved 90-m wind speed statistics for the tropical cyclone case of 08 May 2015 and the cold frontal case of 25 Mar 2016, but not the nor-easter of 18 Jan 2016. The impact of wave coupling on buoy-level (4 m) wind speed was modest and case dependent, but when present, the impact was typically seen at 90 m as well, being as large as 10% in stable conditions. One-way wave coupling consistently reduced wind speeds, improving biases for 25 Mar 2016 but worsening them for 08 May 2015. Two-way wave coupling mitigated these negative biases, improved wave field representation and statistics, and mostly improved 4-m wind field correlation coefficients, at least at the VA buoy, largely due to greater self-consistency between wind and wave fields.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1977

Two-dimensional hygrothermal diffusions into a finite width composite laminate

Two dimensional hygroscopic diffusion into composite laminates with free edges was obtained through the use of a second order finite difference scheme. A computer program was developed for the transient nonlinear coupled hygrothermal diffusion into finite width laminates with varying surface conditions along two edges. The formulation permits the diffusion coefficient to be a function of temperature, moisture concentration, and fiber orientation. The moisture distributions thus obtained are necessary for analysis of the moisture induced interlaminar stresses in the vicinity of free edges. It is shown that large diffusion times tend to eliminate the significance of stacking sequence, but gradients within and between layers are significant for all diffusion times.

Farley, G. L.↗

NASA NTRS1981

Ring current impoundment of the Io plasma torus

A newly discovered feature in the Io plasma formation that may be described as a ramp separating a high-density plasma ledge on its Jupiterward side from the lower-density radially distended Io plasma disc on its anti-Jupiterward side is observed to coincide with a marked inward decrease in the ring current population. The spatial congruency of the counter-directed maximal gradients in both plasma bodies reveals a profound coupling between them. The existence of the ramp requires a local order-of-magnitude reduction in the diffusion coefficient that governs radial mass transport. It is demonstrated that the diminished diffusive efficiency there is caused by strong pressure gradient inhibition of the interchange instability that underlies mass transport. The Io plasma torus, which is defined as the region of strong ultraviolet emissions, is identified as the plasma ledge. The plasma density in the ledge is high and, incidentally therefore, able to emit strongly because it is impounded against rapid, centrifugal expulsion by the inwardly directed pressure of the ring current at its inner edge.

Siscoe, G. L.↗

NASA NTRS1992

Acoustophoresis method and apparatus

A method and apparatus are provided for acoustophoresis, i.e., the separation of species via acoustic waves. An ultrasonic transducer applies an acoustic wave to one end of a sample container containing at least two species having different acoustic absorptions. The wave has a frequency tuned to or harmonized with the point of resonance of the species to be separated. This wave caused the species to be driven to an opposite end of the sample container for removal. A second ultrasonic transducer may be provided to apply a second, oppositely directed acoustic wave to prevent undesired streaming. In addition, a radio frequency tuned to the mechanical resonance and coupled with a magnetic field can serve to identify a species in a medium comprising species with similar absorption coefficients, whereby an acoustic wave having a frequency corresponding to this gyrational rate can then be applied to sweep the identified species to one end of the container for removal.

Heyman, Joseph S.↗

NASA NTRS1993

Acoustophoresis separation method

A method and apparatus are provided for acoustophoresis, i.e., the separation of species via acoustic waves. An ultrasonic transducer applies an acoustic wave to one end of a sample container containing at least two species having different acoustic absorptions. The wave has a frequency tuned to or harmonized with the point of resonance of the species to be separated. This wave causes the species to be driven to an opposite end of the sample container for removal. A second ultrasonic transducer may be provided to apply a second, oppositely directed acoustic wave to prevent undesired streaming. In addition, a radio frequency tuned to the mechanical resonance and coupled with a magnetic field can serve to identify a species in a medium comprising species with similar absorption coefficients, whereby an acoustic wave having a frequency corresponding to this gyrational rate can then be applied to sweep the identified species to one end of the container for removal.

Heyman, Joseph S.↗

DOE OSTI2017

Integrated Measurement and Control System for SIF (IMACSS)

The foundation of our biosphere and civilization rests on the food and energy produced by plants using sunlight. Yet currently there is no commercially available technology that can measure, continuously and unattended, plant photosynthesis and physiological stresses in natural environments. To fill this commercial technology gap, a Sun-Induced chlorophyll Fluorescence (SIF) Auto-Measurement Equipment (FAME) that can be applied at scales of leaf, individual plant, or canopy in the field has been developed. The Integrated Measurement and Control System for SIF (IMACSS) is the software used to control the operation of the FAME. IMACSS is a datalogger-operated software which directly controls ALL FUNCTIONS of high-resolution spectrometers for SIF measurements - including the operation temperature and integration time of the Charge-Coupled Device (CCD) detectors of spectrometers, the opening and closing of internal shutter, setting and storing of radiance/irradiance calibration coefficients, wavelength calibration coefficients, and serial port communication parameters, setting and clearing buffer holding capacity, and data retrieval. IMACSS also controls FAME's supporting components (e.g. a motor or supplementary sensors for environmental variables such as air temperature, humidity, soil temperature, moisture content, broadband radiation). This software can flexibly control up to two spectrometers and a motor for multi-target measurements in three designs. It also allows a computer to be linked to FAME's datalogger either directly or remotely (via internet) to monitor and control FAME's operation, set parameters for measurements, and download the data.

GU, Lianhong↗

NASA NTRS1980

Stability of large horizontal-axis axisymmetric wind turbines

The stability of large horizontal-axis, axisymmetric, power producing wind turbines is examined within the framework of an analytical model which includes dynamic coupling of the rotor, tower, and power generating system. The aerodynamic loading is derived from blade element theory. Stability is determined by the eigenvalues of a set of linearized constant-coefficient differential equations. All results presented are based on a 3-bladed, 300-ft diameter, 2.0-MW wind turbine. It is shown that unstable or weakly stable behavior can be caused by aerodynamic forces due to motion of the rotor blades and tower in the plane of rotation or by mechanical coupling between the rotor system and the tower.

Hirschbein, M. S.↗

NASA NTRS2019

Modeling and Simulation Techniques for the NASA SLS Service Module Panel Separation Event; from Loosely-Coupled Euler to Fully-Coupled 6-DOF, Time-Accurate, Navier-Stokes Methodologies

An aerodynamic database has been generated for use by the Orion Multi-Purpose Crew Vehicle (MPCV) Program to analyze Service Module (SM) panel jettison from the NASA SLS vehicle. The database is a combination of CFD data for the panel aerodynamic coefficients, and MATLAB code written to query the CFD data. The Cart3D inviscid CFD flow solver was used to generate the panel aerodynamic coefficients for static panel orientations and free stream conditions that can occur during the jettison event. The MATLAB code performs the multivariate interpolation to obtain aerodynamic coefficients. The MATLAB code uses input for SM panel parameters and returns the SM panel aerodynamic force and moment coefficients for use with a Six-Degree-of-Freedom (6-DOF) motion solver to model the jettison event. This paper examines the accuracy of the sequential-static database approach by modeling the panel jettison event with a fully-coupled, time-dependent, viscous, moving-body CFD simulation. The fully-coupled simulation is obtained using the Loci/Chem unstructured Navier-Stokes CFD solver. The results show that the fully-coupled approach agrees well with the loosely-coupled database/6-DOF approach, indicating that unsteady effects are minimal for the panel jettison event. These results suggest that the database/6-DOF approach is sufficient. In addition, this paper presents the development of an uncertainty model for use in Monte Carlo analysis of the panel jettison event. Here viscous CFD simulations are obtained with Loci/Chem and compared to the inviscid CFD forces and moments. An uncertainty model based on model-form error and numerical error is presented.

Hall, Leslie H.↗

DOE OSTI2021

Optical response of a dual membrane active–passive optomechanical cavity

Highlights: • The optical response is determined by competition between photon-tunneling, two-phonon process, gain effect. • The photon-tunneling adjusts supermode frequency. • The absorption coefficient can exceed 1. • Not only realize fast/slow light but conversion between fast and slow light. We investigate a dual membrane active–passive cavity where each mechanical membrane individually quadratically coupled to passive and active cavities via two-phonon process. Due to the fact that in the quadratically coupled optomechanical system mean-field approximation fails, hence to analyze the system completely, we switch to a more generalized out of equilibrium approach, namely Keldysh Green’s functional approach. We calculate transmission rate using predetermined full retarded Green’s function, and then numerically examine the effect of the various parameters on the transmission coefficient and discuss the features and physical mechanism behind them in detail. On the basis of the optical responsivity we further extend our study to fast and slow light phenomenon. The results show that our proposed system can not only realize ultra-fast/ultra-slow light under proper choice of cavity parameters but also a realization of the conversion between fast and slow light and vice versa has also been pointed out.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Rate coefficients and branching ratio for multi-channel hydrogen abstractions from CH 3 OH by F

The hydrogen abstraction reaction F+CH 3 OH has two possible reaction pathways: HF+CH 3 O and HF+CH 2 OH. Despite the absence of intrinsic barriers for both channels, the former has a branching ratio comparable to the latter, which is far from the statistical limit of 0.25 (one out of four available H atoms). Furthermore, the measured branching ratio of the two abstraction channels spans a large range and is not quantitatively reproduced by previous theoretical predictions based on the transition-state theory with the stationary point information calculated at the levels of Møller-Plesset perturbation theory and G2. This work reports a theoretical investigation on the kinetics and the associated branching ratio of the two competing channels of the title reaction using a quasi-classical trajectory approach on an accurate full-dimensional potential energy surface (PES) fitted by the permutation invariant polynomial-neural network approach to ca. 1.21x10 5 points calculated at the explicitly correlated (F12a) version of coupled cluster singles doubles and perturbative triples (CCSD(T)) level with the aug-cc-pVDZ basis set. The calculated room temperature rate coefficient and branching ratio of the HF+CH 3 O channel are in good agreement with the available experimental data. Furthermore, our theory predicts that rate coefficients have a slightly negative temperature dependence, consistent with barrierless nature of the reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗