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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 685 records · Page 38

Machine learning force field model for kinetic Monte Carlo simulations of itinerant Ising magnets

Here, we present a scalable machine learning (ML) framework for large-scale kinetic Monte Carlo (kMC) simulations of itinerant electron Ising systems. As the effective interactions between Ising spins in such itinerant magnets are mediated by conducting electrons, the calculation of energy change due to a local spin update requires solving an electronic structure problem. Such repeated electronic structure calculations could be overwhelmingly prohibitive for large systems. Assuming the locality principle, a convolutional neural network (CNN) model is developed to directly predict the effective local field and the corresponding energy change associated with a given spin update based on Ising configuration in a finite neighborhood. As the kernel size of the CNN is fixed at a constant, the model can be directly scalable to kMC simulations of large lattices. Our approach is reminiscent of the ML force field models widely used in first-principles molecular dynamics simulations. Applying our ML framework to a square-lattice double-exchange Ising model, we uncover unusual coarsening of ferromagnetic domains at low temperatures. Our work highlights the potential of ML methods for large-scale modeling of similar itinerant systems with discrete dynamical variables.

machine learning↗

Probing New Hadronic Forces with Heavy Exotic Atoms

We explore the potential of precision spectroscopy of heavy exotic atoms where electrons are substituted by negative hadrons to detect new force carriers with hadronic couplings. The selected transitions are unaffected by nuclear contact terms, thus enabling highly accurate calculations using bound-state QED, provided that the nuclear polarization is under control. Alternatively, we demonstrate that the dipole polarizability, a fundamental property of nuclei, can be extracted from the spectroscopy of exotic atoms in a novel way by combining two transitions while maintaining high sensitivity to new physics. Based on existing data, we extracted world-leading bounds on mediator masses ranging from 0.1 to 10 MeV for two benchmark models and show that forthcoming experiments could enhance the sensitivity to new physics by 2 orders of magnitude.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

3D theory of microscopic instabilities driven by space-charge forces

Microscopic, or short-wavelength, instabilities are known for a drastic reduction of the beam quality and strong amplification of the noise in a beam. Space charge and coherent synchrotron radiation are known to be the leading causes of such instabilities. In this paper, we present a rigorous 3D theory of such instabilities driven by the space-charge forces. We define the condition when our theory is applicable to an arbitrary accelerator system with 3D coupling. Finally, we derive a linear integral equation describing such instability and identify conditions when it can be reduced to an ordinary second-order differential equation.

43 PARTICLE ACCELERATORS↗

Temperature-Assisted Piezoresponse Force Microscopy: Probing Local Temperature-Induced Phase Transitions in Ferroics

The combination of local heating and biasing at the tip-surface junction in temperature-assisted piezoresponse force microscopy (TPFM) opens a pathway for probing local temperature-induced phase transitions in ferroics, exploring the temperature dependence of polarization dynamics in ferroelectrics and potentially discovering coupled phenomena driven by strong temperature and electric field gradients. In this study we analyze the signal-formation mechanism in TPFM and explore the interplay between thermal- and bias-induced switching in model ferroelectric materials. Furthermore, we explore the contributions of the flexoelectric and thermopolarization effects to the local electromechanical response and demonstrate that the latter can be significant for “soft” ferroelectrics. These results establish a framework for the quantitative interpretation of TPFM observations, predict the emergence of nontrivial switching and relaxation phenomena driven by nonlocal thermal-gradient-induced polarization switching, and open a pathway for exploring the physics of thermopolarization effects in various noncentrosymmetric and centrosymmetric materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Casimir force, causality, and the Gurzhi model

An extended Drude model, termed the Gurzhi model, which takes into account the electron-phonon and electron-electron interactions, is applied to calculate the Casimir force between two metallic plates. It is shown that although the dielectric permittivity of the Gurzhi model has a first-order pole in the upper half-plane of complex frequencies and, thus, violates the causality principle, it can be used in a restricted frequency interval in combination with the experimental permittivity determined by the optical data for the complex index of refraction. The imaginary part of the Gurzhi dielectric permittivity of Au at low frequencies demonstrates better agreement with the permittivity given by the optical data than the simple Drude model. The Casimir pressure between two Au plates is computed using the Gurzhi, Drude, and plasma model approaches, taking into account the optical data, as well as with the simple Drude and plasma models. Finally, the contribution of the electron-electron scattering to the Casimir pressure is estimated. Although a comparison with the measurement data of two precise experiments shows that the Gurzhi model does not resolve the Casimir puzzle, the obtained results suggest further clarification of this fundamental problem.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Microscopic force driving the photoinduced ultrafast phase transition: Time-dependent density functional theory simulations of IrTe 2

Photoinduced phase transitions can have complex and intriguing behaviors more than material ground-state dynamics. Understanding the underlying mechanism can help us to design new ways to manipulate the materials. A variety of mechanisms has been proposed to explain the photoinduced phase transitions of IrTe 2 , but a consensus has yet to be reached. Here, we study the photo-induced phase transitions of IrTe 2 by performing the real-time time-dependent density functional theory (rt-TDDFT) simulations in combination with the occupation constrained DFT method. We reveal that the microscopic driving force for the photo-induced phase transitions arises from the tendency to lower the energy levels occupied by the excited carriers, through the increase or decrease of the associated atomic pair distances, depending on whether the newly occupied states are antibonding or bonding states, respectively. The geometric constraints between different bonds represented by the Poisson ratio can bring together different tendencies from different atomic pairs, thus forming a complex intriguing dynamic picture depending on the intensity of the excitation. Furthermore, we also find that phonons don't play a primary role, but can assist the phase transition. These findings imply that one can control the structural phase transitions by selectively exciting photocarriers into designated atomic states using appropriate photon sources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effect of the Coulomb force on fission fragment angular momenta

Nuclear fission produces fragments endowed with typically half a dozen units of angular momentum. After scission has occurred, the fragments are still interacting via the Coulomb force which exerts a torque on deformed fragments, thereby accelerating their rotations. Here, the essential features of this effect can be understood by simple perturbative considerations from which the effect on the fragment spin distributions can be obtained. Complete dynamical calculations of the coupled evolution of the spins validate the perturbative treatment, which ignores the second-order terms, showing that the fragment spins evolve essentially independently in the presence of the Coulomb torques.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Halo formation from Yukawa forces in the very early Universe

If long-range attractive forces exist and are stronger than gravity then cosmic halo formation can begin in the radiation-dominated era. We study a simple realization of this effect in a system where dark matter fermions have Yukawa interactions mediated by scalar particles, analogous to the Higgs boson in the standard model. We develop a self-consistent description of the system including exact background dynamics of the scalar field, and precise modeling of the fermion density fluctuations. For the latter, we provide accurate approximations for the linear growth as well as quantitative modeling of the nonlinear evolution using N-body simulations. We find that halo formation occurs exponentially fast and on scales substantially larger than simple estimates predict. Here, the final fate of these halos remains uncertain, but could be annihilation, dark stars, primordial black holes, or even the existence of galaxy-sized halos at matter-radiation equality. More generally, our results demonstrate the importance of mapping scalar-mediated interactions onto structure formation outcomes and constraints for beyond the standard model theories.

79 ASTRONOMY AND ASTROPHYSICS↗

New μ forces from ν μ sources

Accelerator-based experiments reliant on charged pion and kaon decays to produce muon-neutrino beams also deliver an associated powerful flux of muons. Therefore, these experiments can additionally be sensitive to light new particles that preferentially couple to muons and decay to visible final states on macroscopic length scales. Such particles are produced through rare 3-body meson decays in the decay pipe or via muon scattering in the beam dump, and decay in a downstream detector. To demonstrate the potential of this search strategy, we recast existing MiniBooNE and MicroBooNE studies of neutral pion production in neutrino-induced neutral-current scattering ( ν μ N → ν μ N π 0 , π 0 → γ γ ) to place limits on light ( < 2 m μ ) muon-philic scalar particles that decay to diphotons through loops of virtual muons. While much of this parameter space has already been excluded by E137, we also project that SBND can be sensitive to unexplored parameter space for these models, and provide a road map for future neutrino experiments to perform dedicated searches for muon-philic forces. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Critical role of isopotential surfaces for magnetostatic ponderomotive forces

By producing localized wave regions at the ends of an open-field-line magnetic confinement system, ponderomotive walls can be used to differentially confine different species in the plasma. Furthermore, if the plasma is rotating, this wall can be magnetostatic in the laboratory frame, resulting in simpler engineering and better power flow. However, recent work on such magnetostatic walls has shown qualitatively different potentials than those found in the earlier, nonrotating theory. Here, using a simple slab model of a ponderomotive wall, we resolve this discrepancy. We show that the form of the ponderomotive potential in the comoving plasma frame depends on the assumption made about the electrostatic potential in the laboratory frame. If the laboratory-frame potential is unperturbed by the magnetic oscillation, one finds a parallel-polarized wave in the comoving frame, while if each field line remains equipotential throughout the perturbation region, one finds a perpendicularly polarized wave. As a result, this in turn dramatically changes the averaged ponderomotive force experienced by a charged particle along the field line, not only its scaling, but also its direction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Truncated Nonlinear Interferometry for Quantum-Enhanced Atomic Force Microscopy

Nonlinear interferometers that replace beam splitters in Mach-Zehnder interferometers with nonlinear amplifiers for quantum-enhanced phase measurements have drawn increasing interest in recent years, but practical quantum sensors based on nonlinear interferometry remain an outstanding challenge. Here, we demonstrate the first practical application of nonlinear interferometry by measuring the displacement of an atomic force microscope microcantilever with quantum noise reduction of up to 3 dB below the standard quantum limit, corresponding to a quantum-enhanced measurement of beam displacement of 1.7 fm/√Hz. Further, we minimize photon backaction noise while taking advantage of quantum noise reduction by transducing the cantilever displacement signal with a weak squeezed state while using dual homodyne detection with a higher power local oscillator. This approach may enable quantum-enhanced broadband, high-speed scanning probe microscopy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Forced 3D Reconnection in an Exponentially Separating Magnetic Field

We present a solvable scenario for 3D reconnection in a sheared magnetic field. We consider a localized external force that is applied slowly to a flux tube and then maintained, generating an Alfvénic perturbation that spreads along the field lines. Separation of the sheared field lines reduces the scale of the perturbation across the field, enhancing magnetic diffusion. For a fusion-motivated equilibrium with exponential field-line separation, we find a reconnection timescale proportional to 𝒮/ ln⁡ 𝒮 under magnetohydrodynamics (MHD) and to 𝒮 1/3 for semicollisional electron-only reconnection, where 𝒮 is the Lundquist number of the perturbed flux tube. We generalize these results to arbitrary magnetic geometries, showing that the semicollisional case is geometry independent. Interestingly, we find that slower field-line separation yields an increased reconnection rate in MHD.

Magnetic confinement fusion↗

Test of the Gravitational Force Law on Cosmological Scales Using the Kinematic Sunyaev-Zeldovich Effect

The mean pairwise velocity of massive halos reflects the gravitational force law on cosmic scales. For this work, we combine cosmic microwave background intensity maps from the Atacama Cosmology Telescope and a galaxy catalog from the Sloan Digital Sky Survey to estimate the mean pairwise velocity using the kinematic Sunyaev-Zeldovich (kSZ) effect. On scales from 30 to 230 megaparsecs, we constrain the gravitational acceleration between pairs of halos at separation 𝑟 to be 𝑔 ∝ 1/𝑟 𝑛 with 𝑛 = 2.1 ± 0.3, which is consistent with Newtonian gravity in an expanding spacetime (i.e., the standard Λ⁢ CDM model). This constraint shows agreement with an inverse quadratic radial dependence over the large distances separating galaxy halos, as expected in standard cosmology. Upcoming surveys have the potential to rule out 𝑛 = 1 at 10⁢𝜎 significance. Our results establish the kSZ effect as a powerful tool for testing gravity on cosmological scales.

alternative gravity theories↗

Climate Forcing of Bioenergy Feedstocks: Insights From Carbon and Energy Flux Measurements

Bioenergy from biofuels has the potential to slow growing atmospheric carbon dioxide concentrations by reducing fossil fuel use. However, growing bioenergy feedstocks is a land-intensive process. In the United States, the recent expansion of maize bioethanol has presented some environmental costs, prompting the development of several alternative bioenergy feedstocks. These feedstocks, selected in part for traits associated with ecosystem services, may provide opportunities for environmental benefits beyond fossil fuel displacement. We hypothesized that these bioenergy ecosystems will provide direct climatic cooling through their influence on carbon and radiative energy fluxes (i.e., through albedo). To test this hypothesis, we investigated the potential cooling effect of five current or potential bioenergy feedstocks using multi-year records from eddy covariance towers. Perennial feedstocks were carbon sinks, with an annual mean net ecosystem carbon balance (NECB) of –2.7 ± 2.1 Mg C ha –1 for miscanthus, –0.8 ± 1.1 Mg C ha –1 for switchgrass, and –1.4 ± 0.7 Mg C ha –1 for prairie. In contrast, annual rotations were generally carbon sources, with an annual mean NECB of 2.6 ± 2.4 Mg C ha –1 for maize-soy and 3.2 ± 2.1 Mg C ha –1 for sorghum-soy. Using maize-soy as a baseline, conversion to alternative feedstocks increased albedo, inducing further cooling. This effect was strongest for miscanthus, with –3.5 ± 2.0 W m –2 of radiative forcing, and weakest for sorghum, with –1.4 ± 1.4 W m –2 . When feedstock effects on carbon and albedo were compared using carbon equivalents, carbon fluxes were the stronger ecosystem effect, underscoring the role of perennial species as effective carbon sinks. This work highlights the impact of feedstock choice on ecosystem processes as an element of bioenergy land conversion strategies.

09 BIOMASS FUELS↗

Mechanical forces orchestrate the metabolism of the developing oilseed rape embryo

The initial free expansion of the embryo within a seed is at some point inhibited by its contact with the testa, resulting in its formation of folds and borders. Although less obvious, mechanical forces appear to trigger and accelerate seed maturation. However, the mechanistic basis for this effect remains unclear. Manipulation of the mechanical constraints affecting either the in vivo or in vitro growth of oilseed rape embryos was combined with analytical approaches, including magnetic resonance imaging and computer graphic reconstruction, immunolabelling, flow cytometry, transcriptomic, proteomic, lipidomic and metabolomic profiling. Our data implied that, in vivo, the imposition of mechanical restraints impeded the expansion of testa and endosperm, resulting in the embryo's deformation. An acceleration in embryonic development was implied by the cessation of cell proliferation and the stimulation of lipid and protein storage, characteristic of embryo maturation. The underlying molecular signature included elements of cell cycle control, reactive oxygen species metabolism and transcriptional reprogramming, along with allosteric control of glycolytic flux. Constricting the space allowed for the expansion of in vitro grown embryos induced a similar response. The conclusion is that the imposition of mechanical constraints over the growth of the developing oilseed rape embryo provides an important trigger for its maturation.

59 BASIC BIOLOGICAL SCIENCES↗

Role of Three-Dimensional Swirl in Forced Convection Heat Transfer Enhancement in Wavy-Plate-Fin Channels

The influence of wall-corrugation-induced swirl flow on enhanced forced convection in wavy-plate-fin cores has been investigated. Three-dimensional computational simulations were carried out for steady-state periodically developed air flow (Pr ~ 0.71; 50 ≤ Re ≤ 4000) with channel walls subject to constant-uniform temperature conditions. The recirculation that develops in the wall troughs and grows to have an axially helical character is scaled by the Swirl number Sw. As Sw increases with higher flowrate and/or corrugation severity, tornado-shaped vortices appear in the wave trough region midway of the interfin channel height, then extend longitudinally to encompass majority of the flow channel. The local wall-shear and heat transfer coefficient variations indicate that boundary-layer thinning upstream of the wave peak aids in intensifying momentum and heat transfer. However, the flow recirculation in wall trough impedes heat transfer at low Sw due to flow stagnation but promotes it at high Sw because of the vortices-induced augmented fluid mixing. The effects of this secondary flow are quantified by Φf(or j), which is seen to increase log-linearly as fin corrugation aspect ratio γ and/or fin spacing ratio ζ increases; the influence of cross section aspect ratio α is marginal. Moreover, the pressure drag penalty due to swirl critically affects overall pressure loss, and its proportion remains nearly constant when α varies, but grows as Sw, γ, and/or ζ increases and can be as much as 80% of the total pressure drop.

Engineering↗

Imaging beyond the surface region: Probing hidden materials via atomic force microscopy

Probing material properties at surfaces down to the single-particle scale of atoms and molecules has been achieved, but high-resolution subsurface imaging remains a nanometrology challenge due to electromagnetic and acoustic dispersion and diffraction. The atomically sharp probe used in scanning probe microscopy (SPM) has broken these limits at surfaces. Subsurface imaging is possible under certain physical, chemical, electrical, and thermal gradients present in the material. Of all the SPM techniques, atomic force microscopy has entertained unique opportunities for nondestructive and label-free measurements. Here, we explore the physics of the subsurface imaging problem and the emerging solutions that offer exceptional potential for visualization. We discuss materials science, electronics, biology, polymer and composite sciences, and emerging quantum sensing and quantum bio-imaging applications. The perspectives and prospects of subsurface techniques are presented to stimulate further work toward enabling noninvasive high spatial and spectral resolution investigation of materials including meta- and quantum materials.

74 ATOMIC AND MOLECULAR PHYSICS↗

Space-tiled colloidal crystals from DNA-forced shape-complementary polyhedra pairing

Generating space-filling arrangements of most discrete polyhedra nanostructures of the same shape is not possible. However, if the appropriate individual building blocks are selected (e.g., cubes), or multiple shapes of the appropriate dimensions are matched (e.g., octahedra and tetrahedra) and their pairing interactions are subsequently forced, space-filled architectures may be possible. With flexible molecular ligands (polyethylene glycol–modified DNA), the shape of a polyhedral nanoparticle can be deliberately altered and used to realize geometries that favor space tessellation. In this work, 10 new colloidal crystals were synthesized from DNA-modified nanocrystal building blocks that differed in shapes and sizes, designed to form space-filling architectures with micron-scale dimensions. The insights and capabilities provided by this new strategy substantially expand the scope of colloidal crystals possible and provide an expanded tool kit for researchers interested in designing metamaterials.

Science & Technology - Other Topics↗