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At least 217 records · Page 12

Parallel simulation via SPPARKS of on-lattice kinetic and Metropolis Monte Carlo models for materials processing

Abstract SPPARKS is an open-source parallel simulation code for developing and running various kinds of on-lattice Monte Carlo models at the atomic or meso scales. It can be used to study the properties of solid-state materials as well as model their dynamic evolution during processing. The modular nature of the code allows new models and diagnostic computations to be added without modification to its core functionality, including its parallel algorithms. A variety of models for microstructural evolution (grain growth), solid-state diffusion, thin film deposition, and additive manufacturing (AM) processes are included in the code. SPPARKS can also be used to implement grid-based algorithms such as phase field or cellular automata models, to run either in tandem with a Monte Carlo method or independently. For very large systems such as AM applications, the Stitch I/O library is included, which enables only a small portion of a huge system to be resident in memory. In this paper we describe SPPARKS and its parallel algorithms and performance, explain how new Monte Carlo models can be added, and highlight a variety of applications which have been developed within the code.

36 MATERIALS SCIENCE↗

The role of time and speed in NASA's SUNLITE program

The SUNLITE program of NASA's LaRC aims to demonstrate lower noise and better frequency stability for continuous-wave (CW) solid-state lasers in the microgravity environment of space. The program will utilize laser-diode-pumped nonplanar-ring oscillators regulated by ultra-stable high-finesse Fabry-Perot Spectrometers to produce light beams with phase rate or frequency variations as low as 3 Hz. SUNLITE will use the period-method (P-method) to measure the phase rate and frequency stability of the lasers. The P-method was chosen because it requires less memory space for the raw data, because frequencies can be analyzed on-line in real-time simply by reciprocating the periods (fi = 1/pi), and because the mean and variance of the frequencies can be calculated as fast or faster than they can be with the fastest fast Fourier transformations. Furthermore, for a given signal-to-noise power ratio, the P-method requires less data and less computer time to extract the noise components. Although the P-method does require fast Time Interval Counters, the Fourier transformation method requires comparably fast Sampling Volt meters. For either method, however, time and computer speed play a critical role.

Hafele, Joseph C.↗

Partial densities of states from x-ray absorption and Auger electron spectroscopy: Use of core-hole memory

Ag L 3 edge x-ray absorption and L 3 −M 4,5 M 4,5 Auger electron spectra have been measured and simulated for a variety of x-ray electric-field polarization and Auger electron emission directions. The theory relies on density-functional theory, use of the Bethe–Salpeter equation, atomic multiplet theory, and a simplified model for the Auger line shape and its dependence on photon energy. We also demonstrate that partial densities of states for dT 2g , dE g , and sA g symmetry partial-wave channels at the Ag site in the solid can be deduced from the experimental measurements with only atomic theoretical input, i.e., with no solid-state theory other than assuming a Fermi edge.

36 MATERIALS SCIENCE↗

An empirical study of redundant array of independent solid-state drives (RAIS)

Solid-state drives (SSD) are popular storage media devices alongside magnetic hard disk drives (HDD). SSD flash chips are packaged in HDD form factors and SSDs are compatible with regular HDD device drivers and I/O buses. This compatibility allows easy replacement of individual HDDs with SSDs in existing storage systems. However, under certain circumstances, SSD write performance can be significantly slowed by garbage collection (GC) processes. The frequency of GC activity is directly correlated with the frequency of inside-SSD write operations and the amount of data written to it. GC scheduling is locally controlled by an internal SSD logic. Here, this paper studies the feasibility of Redundant Arrays of Independent Flash-based Solid-state drives (RAIS). We empirically analyze the RAIS performance using commercially-off-the-shelf (COTS) SSDs. We investigate the performance of various RAIS configurations under a variety of I/O access patterns. Finally, we present our performance and cost comparisons of RAIS with a fast, PCIe-based COTS SSD, in terms of performance and cost.

97 MATHEMATICS AND COMPUTING↗

Spectral transmissometer and radiometer - Design and initial results

A new solid-state spectral transmissometer and radiometer is described. The radiometer measures upwelling radiance, downwelling irradiance, and beam transmittance from 390 to 750 nm with channel widths of 2.35 nm. The spectrometer consists of a 256 element CCD linear array collecting light dispersed by a reflection grating in a modified Littrow configuration. The spectrometer is time and space-shared among the three signal types. The instrument has been deployed as a free-drifting buoy and in the profiling mode, with data stored internally on a magnetic bubble memory or sent up a conducting cable as desired. Power can be supplied either by a detachable external battery pack or through conducting cable. The instrument has been deployed in the oligotrophic North Pacific Central Gyre and in the eutrophic Straits of Juan de Fuca, and preliminary results for each region are discussed.

Carder, Kendall L.↗

Electrically reversible cracks in an intermetallic film controlled by an electric field

Cracks in solid-state materials are typically irreversible. We report electrically reversible opening and closing of nanoscale cracks in an intermetallic thin film grown on a ferroelectric substrate driven by a small electric field (~0.83 kV/cm). Accordingly, a nonvolatile colossal electroresistance on-off ratio of more than 10 8 is measured across the cracks in the intermetallic film at room temperature. Cracks are easily formed with low-frequency voltage cycling and remain stable when the device is operated at high frequency, which offers intriguing potential for next-generation high-frequency memory applications. Moreover, endurance testing demonstrates that the opening and closing of such cracks can reach over 10 7 cycles under 10-μs pulses, without catastrophic failure of the film.

36 MATERIALS SCIENCE↗

Acoustic Radiation From a Superconducting Qubit: From Spontaneous Emission to Rabi Oscillations

Hybrid quantum systems that utilize controllable coupling between phonons and superconducting qubits could pave the way for a new generation of compact quantum memories and sensor technologies. However, the same electromechanical interaction mechanisms that enable coherent qubit-phonon coupling can also lead to decoherence due to the spontaneous phonon emission. In this paper we study the dynamics of a qubit coupled to an acoustic resonator by a piezoelectric film. By varying the surface topography of the resonator from rough to flat to shaped, we explore the crossover from fast decay of an excited qubit to quantum-coherent coupling between the qubit and an isolated phonon mode. The developed theoretical model allows us to establish and check quantitative links between the results obtained for the rough and shaped topographies. Discrepancy between the theory and the data for the flat resonator points to the imperfections of the studied device. Our experimental approach may be used for precision measurements of crystalline vibrations, the design of quantum memories, and the study of electromechanical contributions to dielectric loss.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Toward Accurate Thermal Modeling of Phase Change Material Based Photonic Devices

Reconfigurable or programmable photonic devices are rapidly growing and have become an integral part of many optical systems. The ability to selectively modulate electromagnetic waves through electrical stimuli is crucial in the advancement of a variety of applications from data communication and computing devices to environmental science and space explorations. Chalcogenide-based phase change materials (PCMs) are one of the most promising material candidates for reconfigurable photonics due to their large optical contrast between their different solid-state structural phases. Although significant efforts have been devoted to accurate simulation of PCM-based devices, in this paper, we highlight three important aspects which have often evaded prior models yet having significant impacts on the thermal and phase transition behavior of these devices: the enthalpy of fusion, the heat capacity change upon glass transition, as well as the thermal conductivity of liquid-phase PCMs. We further investigated the important topic of switching energy scaling in PCM devices, which also helps explain why the three above-mentioned effects have long been overlooked in electronic PCM memories but only become important in photonics. Our findings offer insight to facilitate accurate modeling of PCM-based photonic devices and can inform the development of more efficient reconfigurable optics.

Phase change materials↗

Effect of Zr{sup 4+} substitution on ferroelectric and dielectric properties of BaTiO{sub 3} ceramics

A lead-free system, BaTi{sub (1−x)}Zr{sub x}O{sub 3}, with x varying from 0.00 to 0.15 (in steps of 0.05), were prepared by solid state reaction method. X-ray diffraction study confirms the perovskite-type tetragonal structure with, a = 4.003 Å and c = 3.998 Å for pure BaTiO{sub 3} and a = 4.027 Å and c = 4.023 Å for pure BaTi{sub 0.85}Zr{sub 0.15}O{sub 3}. Microstructure changes, with Zr{sup 4+} in BaTi{sub (1−x)}Zr{sub x}O{sub 3}, are studied using scanning electron microscopy (SEM). Dielectric constant measurements show the maximum dielectric constant value (~ 9445) for a composition, BaTi{sub 0.85}Zr{sub 0.15}O{sub 3}. P-E loop measurements support ferroelectric nature for all the samples and maximum polarization value (~10.55 µC/cm{sup 2}) with squareness ratio ~0.6, at electric field 7.11 kV/cm, is obtained for BaTi{sub 0.85}Zr{sub 0.15}O{sub 3} composition. All the measured properties suggest that the BaTi{sub 0.85}Zr{sub 0.15}O{sub 3} may be suitable for memory device applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Camera-on-a-Chip

Jet Propulsion Laboratory's research on a second generation, solid-state image sensor technology has resulted in the Complementary Metal- Oxide Semiconductor Active Pixel Sensor (CMOS), establishing an alternative to the Charged Coupled Device (CCD). Photobit Corporation, the leading supplier of CMOS image sensors, has commercialized two products of their own based on this technology: the PB-100 and PB-300. These devices are cameras on a chip, combining all camera functions. CMOS "active-pixel" digital image sensors offer several advantages over CCDs, a technology used in video and still-camera applications for 30 years. The CMOS sensors draw less energy, they use the same manufacturing platform as most microprocessors and memory chips, and they allow on-chip programming of frame size, exposure, and other parameters.

Source record↗

Microstructural and rheological training and memory of nanocolloidal soft glasses under cyclic shear

An intrinsic feature of disordered and out-of-equilibrium materials, such as glasses, is the dependence of their properties on their history. An important example is rheological memory, in which disordered solids obtain properties based on their deformation history. Here, in this study, we employ x-ray photon correlation spectroscopy with in situ rheometry to characterize memory formation in a nanocolloidal soft glass due to cyclic shear. During a cycle, particles undergo irreversible displacements composed of a combination of shear-induced diffusion and heterogeneous, residual strain fields. At lower shear amplitudes, the displacements resemble a random walk in which the directions in each cycle are independent of those in preceding cycles, while at high amplitude, the irreversible displacements in consecutive cycles become correlated. The magnitudes of the displacements decrease with each cycle before reaching a steady state where the microstructure has been trained to achieve enhanced reversibility even at shear amplitudes well above yielding and despite the presence of thermal fluctuations. At amplitudes below and near yielding, these decreases are monotonic, while well above yielding, they are nonmonotonic, suggesting evidence of shear banding. Accompanying this microstructural training are corresponding decreases in the dissipation during each cycle and the magnitude of the residual stress toward steady-state values. Memory of the training is revealed by measurements in which the amplitude of the shear is changed after steady state is reached. The magnitude of the particle displacements, as well as the dissipation and the change in residual stress, vary nonmonotonically with the new shear amplitude, having minima near the training amplitude, thereby revealing correlated microscopic and macroscopic signatures of memory.

Chen, Yihao [Johns Hopkins Univ., Baltimore, MD (U↗

Short- vs . long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon( II ) spin crossover grid complex observed by time-resolved X-Ray crystallography

Spin crossover complexes (SCO) are among the most studied molecular switches due to their potential use in displays, sensors, actuators and memory components. A prerequisite to using these materials is the understanding of the structural changes following the spin transition at out-of-equilibrium conditions. So far, out-of-equilibrium studies in SCO solids have been focused on mononuclear complexes, though a growing number of oligonuclear SCO complexes showing cooperative effects are being reported. Here, we use time-resolved pink Laue crystallography to study the out-of-equilibrium dynamics of a [2 × 2] tetranuclear metallogrid of the form [Fe II 4 L Me 4 ](BF 4 ) 4 ·2MeCN ([L Me ] - = 4-methyl-3,5-bis{6-(2,2'-bipyridyl)}pyrazolate). The out-of-equilibrium spin state switching induced by a ps laser pulse demonstrates that the metallogrid exhibits a multi-step response similar to that reported for mononuclear complexes. Contrary to the mononuclear complexes, the metallogrid shows two types of elastic distortions at different time scales. The first is a short-range distortion that propagates over the entire Fe 4 grid complex during the ps time scale, and it is caused by the rearrangement of the coordination sphere of the photo-switching ion and the constant feedback between strongly linked metal ions. The second is a long-range distortion caused by the anisotropic expansion of the lattice during the ns time scale, observed in mononuclear materials. The structural analysis demonstrates that the long-range prevails over the short-range distortion, inducing the largest deformation of both the entire grid and the coordination sphere of each metal ion. The present study sheds light on the out-of -equilibrium dynamics of a non-cooperative oligonuclear complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experiments on the single-mode Richtmyer–Meshkov instability with reshock at high energy densities

Here, the hydrodynamic instability growth of a reshocked single-mode interface between high energy density fluids is studied. A laser-driven shock wave is used to drive an initially solid, sinusoidal interface between a dense plastic (1.43 g/cc) and a light foam (≈ 0.110 g/cc). After the interface has grown to a nonlinear state where the amplitude is of order of the wavelength, it is reshocked. The reshock compresses the nonlinear perturbation, which then grows at about twice the rate. While the pre-reshock growth rate is sensitive to the initial amplitude and wavelength of the perturbation, the post-reshock growth rate is comparatively insensitive to the initial condition. Qualitatively, we observe that the perturbations are less coherent after reshock, consistent with the idea that having a reshock accelerates the transition to turbulence. We find that some memory of the initial condition remains, even after reshock at late time: it appears if the initial perturbations have large enough wavelengths, and the flow structure of size comparable to the initial wavelength persists through reshock. Our results agree with design simulations and are consistent with the phenomenology of reshock studies in conventional gaseous shock tubes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Microwave-Based Quantum Control and Coherence Protection of Tin-Vacancy Spin Qubits in a Strain-Tuned Diamond-Membrane Heterostructure

Robust spin-photon interfaces in solids are essential components in quantum networking and sensing technologies. Ideally, these interfaces combine a long-lived spin memory, coherent optical transitions, fast and high-fidelity spin manipulation, and straightforward device integration and scaling. The tin- vacancy center (SnV) in diamond is a promising spin-photon interface with desirable optical and spin properties at 1.7 K. However, the SnV spin lacks efficient microwave control, and its spin coherence degrades with higher temperature. In this work, we introduce a new platform that overcomes these challenges—SnV centers in uniformly strained thin diamond membranes. The controlled generation of crystal strain introduces orbital mixing that allows microwave control of the spin state with 99.36(9)% gate fidelity and spin coherence protection beyond a millisecond. Moreover, the presence of crystal strain suppresses temperature-dependent dephasing processes, leading to a considerable improvement of the coherence time up to 223(10) μs at 4 K, a widely accessible temperature in common cryogenic systems. Critically, the coherence of optical transitions is unaffected by the elevated temperature, exhibiting nearly lifetime-limited optical linewidths. Combined with the compatibility of diamond membranes with device integration, the demonstrated platform is an ideal spin-photon interface for future quantum technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Essays on the History of Rocketry and Astronautics: Proceedings of the Third through the Sixth History Symposia of the International Academy of Astronautics, Volume 1

This two volume publication presents the proceedings of the third through sixth history symposia of the International Academy of Astronautics. Thirty-nine papers are divided into four categories: (1) Early Solid Propellant Rocketry; (2) Rocketry and Astronautics: Concepts, Theory, and Analyses after 1880; (3) The Development of Liquid and Solid Propellant Rockets from 1880 to 1945; and (4) Rocketry and Astronautics after 1945. Categories 1 and 2 will be found in volume 1 and the remainder in volume 2. Among other diciplines, Rocketry and Astronautics encompasses the physical and engineering sciences including fluid mechanics, thermodynamics, vibration theory, structural mechanics, and celestial mechanics. Papers presented in these two volumes range from those of empirical experimenters who used the time-honored cut and try methods to scientists wielding theoretical principles. The work traces the coupling of the physical and engineering sciences, industrial advances, and state support that produced the awesome progress in rocketry and astronautics for the most part within living memory. The proceedings of the four symposia present in these two volumes contain information on the work of leading investigators and their associates carried out in the first two-thirds of the twentieth century.

R Cargill Hall↗

The Impact of Ocean Observations in Seasonal Climate Prediction

The ocean provides the most significant memory for the climate system. Hence, a critical element in climate forecasting with coupled models is the initialization of the ocean with states from an ocean data assimilation system. Remotely-sensed ocean surface fields (e.g., sea surface topography, SST, winds) are now available for extensive periods and have been used to constrain ocean models to provide a record of climate variations. Since the ocean is virtually opaque to electromagnetic radiation, the assimilation of these satellite data is essential to extracting the maximum information content. More recently, the Argo drifters have provided unprecedented sampling of the subsurface temperature and salinity. Although the duration of this observation set has been too short to provide solid statistical evidence of its impact, there are indications that Argo improves the forecast skill of coupled systems. This presentation will address the impact these different observations have had on seasonal climate predictions with the GMAO's coupled model.

Rienecker, Michele↗

Time-domain theory of transient heat conduction in the local limit

Ultrafast and nanoscale heat conduction demands a unified theoretical framework that rigorously bridges macroscopic transport equations with microscopic material properties derived from statistical physics. Existing empirical generalizations of Fourier's law often lack a solid microscopic foundation, failing to connect observed non-Fourier behavior with underlying atomic-scale mechanisms. In this work, we present a time-domain theory of transient heat conduction rooted in Zwanzig's statistical theory of irreversible processes. Central to this framework is the time-domain transport function $\overleftrightarrow{𝑍}$⁡(𝑡) defined through equilibrium time-correlation functions of heat fluxes. This function generalizes the conventional concept of steady-state thermal conductivity, governing the transition of conduction dynamics from onset second sound type wave propagation at finite speeds to diffusion-dominated behavior across broad temporal and spatial scales. Unlike phonon hydrodynamic models that rely on mesoscopic constructs such as phonon drift velocity, our approach provides a quantitative and microscopic description of intrinsic memory effects in transient heat fluxes and applies universally to bulk materials at any temperature or length scale. By integrating atomistic-scale first-principles calculations with continuum-level macroscopic equations, this framework offers a robust foundation for numerical simulations of transient temperature fields. Furthermore, it facilitates the interpretation and design of transient thermal grating experiments using nanometer-scale heat sources and ultrafast laser systems in the extreme ultraviolet and x-ray wavelength ranges, advancing our understanding of heat dissipation dynamics.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Automotive Li-Ion Batteries: Current Status and Future Perspectives

Lithium-ion batteries (LIBs) are currently the most suitable energy storage device for powering electric vehicles (EVs) owing to their attractive properties including high energy efficiency, lack of memory effect, long cycle life, high energy density and high power density. These advantages allow them to be smaller and lighter than other conventional rechargeable batteries such as lead–acid batteries, nickel–cadmium batteries (Ni–Cd) and nickel–metal hydride batteries (Ni–MH). Modern EVs, however, still suffer from performance barriers (range, charging rate, lifetime, etc.) and technological barriers (high cost, safety, reliability, etc.), limiting their widespread adoption. Given these facts, this review sets the extensive market penetration of LIB-powered EVs as an ultimate objective and then discusses recent advances and challenges of electric automobiles, mainly focusing on critical element resources, present and future EV markets, and the cost and performance of LIBs. Finally, novel battery chemistries and technologies including high-energy electrode materials and all-solid-state batteries are also evaluated for their potential capabilities in next-generation long-range EVs.

25 ENERGY STORAGE↗