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At least 1,639 records · Page 91

Enhanced physics-constrained deep neural networks for modeling vanadium redox flow battery

Numerical simulation has become indispensable in advancing cost-effective process optimization and control of flow batteries. We propose an enhanced version of the physics-constrained deep neural network (PCDNN) approach to provide high-accuracy voltage predictions in the vanadium redox flow batteries (VRFBs). The purpose of the PCDNN approach is to enforce the physics-based zero-dimensional (0D) VRFB model in a neural network to assure model generalization for various battery operation conditions. However, limited by the simplifications of the 0D model, the PCDNN cannot capture sharp voltage changes in the extreme SOC regions. To improve the accuracy of voltage prediction at extreme ranges, we introduce a second (enhanced) DNN to mitigate the prediction errors carried from the 0D model itself and call the resulting approach enhanced PCDNN (ePCDNN). By comparing with experimental data, we demonstrate that the ePCDNN approach can accurately capture the voltage response throughout the charge–discharge cycle, including the tail region of the voltage discharge curve. The loss function for training the ePCDNN is designed to be flexible by adjusting the weights of the physics-constrained DNN and the enhanced DNN. In conclusion, this allows the ePCDNN framework to be transferable to battery systems with variable physical model fidelity.

25 ENERGY STORAGE↗

In Situ Imaging of an Anisotropic Layer-by-Layer Phase Transition in Few-Layer MoTe 2

Understanding the phase transition mechanisms in two-dimensional (2D) materials is a key to precisely tailor their properties at the nanoscale. Molybdenum ditelluride (MoTe 2 ) exhibits multiple phases at room temperature, making it a promising candidate for phase-change applications. Here, we fabricate lateral 2H–T d interfaces with laser irradiation and probe their phase transitions from micro- to atomic scales with in situ heating in the transmission electron microscope (TEM). By encapsulating the MoTe 2 with graphene protection layers, we create an in situ reaction cell compatible with atomic resolution imaging. We find that the T d -to-2H phase transition initiates at phase boundaries at low temperatures (200–225 °C) and propagates anisotropically along the b-axis in a layer-by-layer fashion. We also demonstrate a fully reversible 2H-T d -2H phase transition cycle, which generates a coherent 2H lattice containing inversion domain boundaries. Furthermore, our results provide insights on fabricating 2D heterophase devices with atomically sharp and coherent interfaces.

2D materials↗

Temperature-Controlled Reversible Formation and Phase Transformation of 3D Nanocrystal Superlattices Through In Situ Small-Angle X-ray Scattering

For decades, the spontaneous organization of nanocrystals into superlattices has captivated the scientific community. However, achieving direct control over the formation of the superlattice and its phase transformations has proven to be a grand challenge, often resulting in the generation of multiple symmetries under the same experimental conditions. Here, we achieve direct control over the formation of the superlattice and its phase transformations by modulating the thermal energy of a nanocrystal dispersion without relying on solvent evaporation. In this study, we follow the temperature-dependent dynamics of the self-assembly process using synchrotron-based small-angle X-ray scattering. When cooled below –24.5 °C, lead sulfide nanocrystals form micrometer-sized three-dimensional phase-pure body-centered cubic superlattices. When cooled below –35.1 °C, these superlattices undergo a collective diffusionless phase transformation that yields denser body-centered tetragonal phases. These structural changes can be reversed by increasing the temperature of the dispersion and may lead to the direct modulation of the optical properties of these artificial solids.

36 MATERIALS SCIENCE↗

Effects of growth substrate on the nucleation of monolayer MoTe 2

The discovery and characterization of two-dimensional (2D) materials beyond graphene has increased dramatically over the past decade with increasingly fine control over the growth dynamics of these materials. MoTe 2 represents a model material for studying phase change properties of 2D materials due to small energy differences between its 2H semiconducting phase and 1T' semimetallic phase. Although some substrates are demonstrated to be better than others for the wafer-scale growth of high quality MoTe 2 films, substrate effects on the nucleation and growth of MoTe 2 are still not well understood. Here, we grow monolayer MoTe 2 by converting MoO x thin films deposited on three different substrates: sapphire Al 2 O 3 (0001), amorphous SiO 2 , and amorphous AlO x , and examine the early stages of the conversion reaction to elucidate the substrate effects on the nucleation of MoTe 2 . We observe that the chemical composition of the substrate is more important than the surface topography and crystallinity of the substrate, with high quality monolayer 2H MoTe 2 formed on both Al 2 O 3 (0001) and AlO x in contrast to mixed phase 2H/1T' MoTe 2 formed on SiO 2 , as determined by Raman spectroscopy, X-ray photoelectron spectroscopy, and atomic force microscopy.

36 MATERIALS SCIENCE↗

Photocarrier dynamics at the interface between WS 2 and ozone-irradiated graphene

We investigate the photocarrier properties of heterostructures (HSs) formed by WS 2 and ozone-irradiated graphene (OI-graphene), with a focus on the impact of ozone irradiation. Photoluminescence and Raman spectroscopy reveal a pronounced doping effect induced by ozone irradiation on the graphene layer. Transient absorption measurements demonstrate a substantial suppression of charge transfer efficiency across the interface in the presence of ozone molecules. Spatially resolved pump-probe measurements further show a significant reduction in the diffusion coefficient of photocarriers in WS 2 on OI-graphene compared to that of individual WS 2 monolayers. The slower diffusion suggests enhanced spatial separation of electrons and holes in the WS 2 layer, induced by a built-in electric field at the interface. This effect arises from the combined influences of doping and dielectric property changes caused by ozone molecules. These findings highlight the critical influence of ozone irradiation on graphene and HS interfaces, offering valuable insights for the design of future graphene-based two-dimensional HSs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Following the Higgs mode across the BCS-BEC crossover in two dimensions

Although substantial effort has been dedicated to analyzing the Higgs (amplitude) mode in superconducting systems, there are relatively few studies of the Higgs peak's dispersion and width, quantities which are observable in spectroscopic measurements. These properties can be obtained from the location of the pole of the amplitude (Higgs) susceptibility in the lower half plane of complex frequency. We analyze the behavior of the Higgs mode in a two-dimensional neutral fermionic superfluid at T = 0 throughout the crossover from Bardeen-Cooper-Schrieffer (BCS) to Bose-Einstein condensation (BEC) behavior. Here, this occurs when the dressed chemical potential μ changes sign from positive to negative. For μ > 0, we find a pole in the Higgs susceptibility in the lower half plane of frequency and demonstrate that it leads to a well-defined peak in spectroscopic probes. For μ < 0, the pole still exists but is “hidden,” not giving rise to a peak in spectroscopic probes. Extending this analysis to a charged superconductor, we find that the Higgs mode is unaffected by the long-range Coulomb interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Experiments to validate Thermodynamics and Transport models of Strongly Coupled Dusty Plasma Matter (Final Technical Report for DE-SC0023416)

The goal of this two-year grant is to provide access to the PI to dusty plasma experimental facilities at the DOE-funded Collaborative Research Facility Magnetized Plasma Research Laboratory, Auburn University to become a user of that facility, to obtain experimental data to support another ongoing grant DE-SC0021146 (an Early Career Award to the PI that is focused on modeling of dusty plasma thermodynamics and transport processes), to generate experimental data for funding proposals, and to provide exposure to University of Memphis students to advanced experimental techniques. The following technical accomplishments were made: 1. Development of a novel Bidirectional Electrode Control Arms Assembly (BECAA) for producing perfect 2D grain layers for complex plasma experimentation. BECAA uses movable electrode arms to tilt or move the electrode in a RF discharge from outside the chamber, allowing for the manipulation of grain clouds without needing to change the plasma parameters or gas pressure. This work addresses a longstanding gap in the literature for a method to produce clusters of selectable number of grains and that are perfectly two dimensional as opposed to being only quasi-2D. 2. Experimental investigation of the structural properties of finite-N clusters with N=2 to 50. Individual particle behavior in clusters could vary from grain to grain and this study measured systematically produced clusters for two different grain sizes. Analysis (funded by another grant DE-SC0021146) is currently underway to quantify the differences between grains that are found on the surface vs. the interior of clusters, the shell structure, and the decay of correlations in position, velocity, and kinetic energy. 3. An experimental method to measure the structural entropy of clusters was developed by observing the self-induced structural transitions between various possible arrangements. In a series of heating and cooling cycles, the number of times each possible arrangement was attained was experimentally observed and used to compute the probability of existence of that arrangement, and subsequently the configurational entropy of the cluster. Analysis (funded by another grant DE-SC0021146) is currently underway to produce the entropy of clusters as a function of the number of grains and use the same to compute thermodynamic state variables for 2D complex plasma/grain clusters. 4. A preliminary experimental study of multibody collisions between N grains (N=2 – 10) was conducted. The clusters were produced using the BECAA technique and velocities were imparted to the grains using manipulation laser pulses. Analysis (funded by another grant DE-SC0021146) is currently underway to develop a theoretical framework to describe multibody collisions analogous to classical two-body interactions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Hydrodynamics and Survivability during Post-main-sequence Planetary Engulfment

The engulfment of substellar bodies (SBs), such as brown dwarfs and planets, by giant stars is a possible explanation for rapidly rotating giants, lithium-rich giants, and the presence of SBs in close orbits around subdwarfs and white dwarfs. We perform three-dimensional hydrodynamical simulations of the flow in the vicinity of an engulfed SB. We model the SB as a rigid body with a reflective surface because it cannot accrete. This reflective boundary changes the flow morphology to resemble that of engulfed compact objects with outflows. We measure the drag coefficients for the ram-pressure and gravitational drag forces acting on the SB, and use them to integrate its trajectory inside the star. We find that engulfment can increase the luminosity of a 1 M ⊙ star by up to a few orders of magnitude. The time for the star to return to its original luminosity is up to a few thousand years when the star has evolved to ≈10 R ⊙ and up to a few decades at the tip of the red giant branch (RGB). No SBs can eject the envelope of a 1 M ⊙ star before it evolves to ≈10 R ⊙ if the orbit of the SB is the only energy source contributing to the ejection. In contrast, SBs as small as ≈10 MJup can eject the envelope at the tip of the RGB. The numerical framework we introduce here can be used to study planetary engulfment in a simplified setting that captures the physics of the flow at the scale of the SB.

79 ASTRONOMY AND ASTROPHYSICS↗

Study on steady state wind and turbulence environments

The structure of wakes and how this structure is related to the size and shape of buildings and other obstacles, and to ambient winds, was investigated. Mean values of natural atmospheric flow were obtained and used in conjunction with theoretical relationships developed by dimensional analysis to establish a model of the flow in the wake. Results indicate that conventional and V/STOL aircraft passing through the wake during takeoff and landing would experience not only a change in turbulence level, but also a change in mean wind speed of a magnitude roughly equivalent to that of the eddy components.

Brundidge, K. C.↗

Nonlinear problems in flight dynamics

A comprehensive framework is proposed for the description and analysis of nonlinear problems in flight dynamics. Emphasis is placed on the aerodynamic component as the major source of nonlinearities in the flight dynamic system. Four aerodynamic flows are examined to illustrate the richness and regularity of the flow structures and the nature of the flow structures and the nature of the resulting nonlinear aerodynamic forces and moments. A framework to facilitate the study of the aerodynamic system is proposed having parallel observational and mathematical components. The observational component, structure is described in the language of topology. Changes in flow structure are described via bifurcation theory. Chaos or turbulence is related to the analogous chaotic behavior of nonlinear dynamical systems characterized by the existence of strange attractors having fractal dimensionality. Scales of the flow are considered in the light of ideas from group theory. Several one and two degree of freedom dynamical systems with various mathematical models of the nonlinear aerodynamic forces and moments are examined to illustrate the resulting types of dynamical behavior. The mathematical ideas that proved useful in the description of fluid flows are shown to be similarly useful in the description of flight dynamic behavior.

Chapman, G. T.↗

Determining soil moisture from geosynchronous satellite infrared data - A feasibility study

Numerical modelling results are reported from a pilot study investigating the feasibility of developing a technique for daily soil moisture measurement throughout the world, based on GOES infrared data. A detailed one-dimensional boundary layer-surface-soil model was used in order to determine which physical parameters observable from GOES are most sensitive to soil moisture, and which are most effected by seasonal changes, atmospheric effects and vegetation cover. The results of the sensitivity test show that the mid-morning differential of surface temperature with respect to absorbed solar radiation is optimally sensitive to soil moisture. A case study comparing model results with GOES infrared data confirms the sensitivity of this parameter to soil moisture and also confirms the applicability of the model to predicting area-averaged surface temperature changes. Model measurements of soil moisture are expected to be most accurate for dry or marginal agricultural areas where drought is common. Sources of error, including the advection of clouds, are examined and methods of minimizing error are discussed.

Wetzel, P. J.↗

VHF Radar Observations in the Stratosphere and Mesosphere During a Stratospheric Warming

The SOUSY-VHF-radar was used to carry out measurements during minor and a major stratospheric warming in February and March 1980, respectively. Echoes have been received from the stratosphere up to an altitude of about 30 km continuously during day and night, whereas echoes from the mesosphere were restricted to the daytime and occurred sporadically at different heights within the altitude range from 60 to 90 km. The three dimensional velocity vector was derived from Doppler measurements made in three different antenna beam directions with a height resolution of 1.5 km. In particular, the results obtained during disturbed conditions show the change of the zonal winds at mesospheric heights from westerly to easterly. A spectral analysis reveals a diurnal and a weaker semidiurnal tide of the zonal wind component.

Ruster, R.↗

Simulations of gas clouds in interacting galaxies

A companion can induce a variety of morphological changes in a galaxy. The author uses N-body simulations to study the effects of different kinds of perturbations on the dynamics of a disk galaxy. The model is two-dimensional, with a disk consisting of about 60,000 particles. Most of the particles (80%) represent the old stellar population with a high velocity dispersion, while the rest (20%) represent gas clouds with a low velocity dispersion. Initially, the velocity dispersion corresponds to Q = 1 for the star particles, and Q = O for the gas particles, where Q is Toomre's (1964) stability parameter. The gas clouds can collide inelastically. The disk is stabilized by a rigid halo potential, and by the random motions of the old star particles. To simulate the effect of an encounter on the disk, a companion galaxy, modelled as a point mass, can move in a co-planar orbit around the disk. A complete description of the N-body code is found in Thomasson (1989). The spiral structures caused by a companion in first a direct and then a retrograde (with respect to the rotation of the disk) parabolic orbit are presented. The associated velocity fields suggest a way to observationally distinguish between leading and trailing spiral arms. The stability of the gas component in a disk in which tidally triggered infall of gas to the center occurs is studied. Finally, the author shows how a ring of gas can form in a disk as a result of a co-planar encounter with another galaxy.

Thomasson, Magnus↗

A Monte Carlo study of photochemical model uncertainties affecting the calculation of subsonic perturbations in the upper troposphere

Monte Carlo methods are frequently applied to the evaluation of uncertainties in models with multiple inputs that themselves have associated imprecisions. In the case of photochemical models used to evaluate changes in O3 or OH, inputs analyzed include rate coefficients measured in the laboratory, and chemical and physical constituents measured in the atmosphere. The Monte Carlo method was used with the 1-dimensional GSFC tropospheric photochemical model to examine uncertainty propagation to calculation of NO(x) and the major oxidants (O3, OH) in the upper troposphere. In all cases chemical kinetics inputs are varied and the NO(x) perturbation of a subsonic fleet is simulated. A series of model runs is used to explore sensitivities of model-computed parameters to other parameters: heterogeneous processes, the uncertainty in upper tropospheric H2O vapor measurements, aircraft emissions at different latitudes.

Thompson, Anne M.↗

New multigrid approach for three-dimensional unstructured, adaptive grids

A new multigrid method with adaptive unstructured grids is presented. The three-dimensional Euler equations are solved on tetrahedral grids that are adaptively refined or coarsened locally. The multigrid method is employed to propagate the fine grid corrections more rapidly by redistributing the changes-in-time of the solution from the fine grid to the coarser grids to accelerate convergence. A new approach is employed that uses the parent cells of the fine grid cells in an adapted mesh to generate successively coaser levels of multigrid. This obviates the need for the generation of a sequence of independent, nonoverlapping grids as well as the relatively complicated operations that need to be performed to interpolate the solution and the residuals between the independent grids. The solver is an explicit, vertex-based, finite volume scheme that employs edge-based data structures and operations. Spatial discretization is of central-differencing type combined with a special upwind-like smoothing operators. Application cases include adaptive solutions obtained with multigrid acceleration for supersonic and subsonic flow over a bump in a channel, as well as transonic flow around the ONERA M6 wing. Two levels of multigrid resulted in reduction in the number of iterations by a factor of 5.

Parthasarathy, Vijayan↗

Microgravity Experiments to Evaluate Electrostatic Forces in Controlling Cohesion and Adhesion of Granular Materials

The bulk behavior of dispersed, fluidized, or undispersed stationary granular systems cannot be fully understood in terms of adhesive/cohesive properties without understanding the role of electrostatic forces acting at the level of the grains themselves. When grains adhere to a surface, or come in contact with one another in a stationary bulk mass, it is difficult to measure the forces acting on the grains, and the forces themselves that induced the cohesion and adhesion are changed. Even if a single grain were to be scrutinized in the laboratory, it might be difficult, perhaps impossible, to define the distribution and character of surface charging and the three-dimensional relationship that charges (electrons, holes) have to one another. The hypothesis that we propose to test in microgravity (for dielectric materials) is that adhesion and cohesion of granular matter are mediated primarily by dipole forces that do not require the presence of a net charge; in fact, nominally electrically neutral materials should express adhesive and cohesive behavior when the neutrality results from a balance of positive and negative charge carriers. Moreover, the use of net charge alone as a measure of the electrical nature of grain-to-grain relationships within a granular mass may be misleading. We believe that the dipole forces arise from the presence of randomly-distributed positive and negative fixed charge carriers on grains that give rise to a resultant dipole moment. These dipole forces have long-range attraction. Random charges are created whenever there is triboelectrical activity of a granular mass, that is, whenever the grains experience contact/separation sequences or friction.

Marshall, J.↗

Nebular Hydrogen Absorption in the Ejecta of Eta Carinae

Space Telescope Imaging Spectrograph (STIS) observations of Eta Carinae and immediate ejecta reveal narrow Balmer absorption lines in addition to the nebular-scattered broad P-Cygni absorptions. The narrow absorption correlates with apparent disk structure that separates the two Homunculus lobes. We trace these features about half way up the Northern lobe until the scattered stellar Balmer line doppler-shifts redward beyond the nebular absorption feature. Three-dimensional data cubes, made by mapping the Homunculus at Balmer alpha and Balmer beta with the 52 x 0.1 arcsecond aperture and about 5000 spectral resolving power, demonstrate that the absorption feature changes slowly in velocity with nebular position. We have monitored the stellar Balmer alpha line profile of the central source over the past four years. The equivalent width of the nebular absorption feature changes considerably between observations. The changes do not correlate with measured brightness of Eta Carinae. Likely clumps of neutral hydrogen with a scale size comparable to the stellar disk diameter are passing through the intervening light path on the timescales less than several months. The excitation mechanism involves Lyman alpha radiation (possibly the Lyman series plus Lyman continuum) and collisions leading to populating the 2S metastable state. Before the electron can jump to the ground state by two photon emission (lifetime about 1/8 second), a stellar Balmer photon is absorbed and the electron shifts to an NP level. We see the absorption feature in higher Balmer lines, and but not in Paschen lines. Indeed we see narrow nebular Paschen emission lines. At present, we do not completely understand the details of the absorption. Better understanding should lead to improved insight of the unique conditions around Eta Carinae that leads to these absorptions.

Gull, Theodore R.↗