The 2018 Dynamic Networks Data Processing and Analysis Experiment (DNE18).
Abstract not provided.
Young, Christopher J.↗
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Results for “dynamic processes”
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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Phase-Based Image Processing for Structural Dynamics Applications ? Progress 4/2/2019.
Abstract not provided.
Rohe, Daniel Peter↗
Study of Bipolar Pulsed Plasma Dynamics for Surface Processing Applications.
Abstract not provided.
Tang, Ricky↗
Analysis of dynamic system response to product random processes
The response of dynamic systems to the product of two independent Gaussian random processes is developed by use of the Fokker-Planck and associated moment equations. The development is applied to the amplitude modulated process which is used to model atmospheric turbulence in aeronautical applications. The exact solution for the system response is compared with the solution obtained by the quasi-steady approximation which omits the dynamic properties of the random amplitude modulation. The quasi-steady approximation is valid as a limiting case of the exact solution for the dynamic response of linear systems to amplitude modulated processes. In the nonlimiting case the quasi-steady approximation can be invalid for dynamic systems with low damping.
Sidwell, K.↗
The role of Frenkel defect diffusion in dynamic annealing in ion-irradiated Si
The formation of stable radiation damage in crystalline solids often proceeds via complex dynamic annealing processes, involving migration and interaction of ballistically-generated point defects. The dominant dynamic annealing processes, however, remain unknown even for crystalline Si. Here, we use a pulsed ion beam method to study defect dynamics in Si bombarded in the temperature range from -20 to 140 °C with 500 keV Ar ions. Results reveal a defect relaxation time constant of ~10–0.2 ms, which decreases monotonically with increasing temperature. The dynamic annealing rate shows an Arrhenius dependence with two well-defined activation energies of 73 ± 5 meV and 420 ± 10 meV, below and above 60 °C, respectively. Rate theory modeling, bench-marked against this data, suggests a crucial role of both vacancy and interstitial diffusion, with the dynamic annealing rate limited by the migration and interaction of vacancies.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Dynamic wavefront creation for processing units using a hybrid compactor
A method, a non-transitory computer readable medium, and a processor for repacking dynamic wavefronts during program code execution on a processing unit, each dynamic wavefront including multiple threads are presented. If a branch instruction is detected, a determination is made whether all wavefronts following a same control path in the program code have reached a compaction point, which is the branch instruction. If no branch instruction is detected in executing the program code, a determination is made whether all wavefronts following the same control path have reached a reconvergence point, which is a beginning of a program code segment to be executed by both a taken branch and a not taken branch from a previous branch instruction. The dynamic wavefronts are repacked with all threads that follow the same control path, if all wavefronts following the same control path have reached the branch instruction or the reconvergence point.
97 MATHEMATICS AND COMPUTING↗
Understanding Adsorption and Reactions at Aqueous Oxide Interfaces with Neural Network Potential Molecular Dynamics
Chemical processes at metal oxide−water interfaces are of central importance in geochemistry, biology, and energy technologies. A better understanding of these processes would allow us to make a significant step toward optimizing and controlling them, which could in turn lead to broader impacts. Computational modeling is indispensable to accomplishing this task because complexity and disorder often make it difficult to extract atomistic information from experiments. Balancing computational cost and accuracy, simulation schemes based on efficient machine learning representations of the potential energy surface (PES) predicted by ab initio calculations have become increasingly popular over the past decade. In particular, several studies have demonstrated the ability of machine learning models to accurately reproduce the complex ab initio PESs of aqueous oxide interfaces, allowing simulations of systems and processes that are not accessible with ab initio methods. In this Account, we review our recent efforts to understand adsorption processes and reactions at aqueous oxide interfaces using deep potential molecular dynamics (DPMD), a simulation scheme employing deep neural networks (DNNs), which has proven to be quite successful in accurately describing many different systems in the condensed phase. After summarizing the DPMD methodology, we first review our work on the acid−base chemistry of oxide surfaces in contact with water, a fundamental characteristic that controls proton transfer and surface charge at the interface. We focus on the aqueous interface of rutile IrO 2 , an oxide material thus far considered the best catalyst for the oxygen evolution reaction (OER). We show that this interface is characterized by a large fraction of dissociated water and a strong Brønsted acidity of the surface sites, in good agreement with the experimentally measured value of the point of zero proton charge. In our second example, we investigate how the adsorption of organic species from ambient air or water affects the structure and wettability of the aqueous interfaces of TiO 2 , a prototypical photocatalytic material. This is a question that is relevant to understanding the UV-induced hydrophilicity of TiO 2 surfaces, a property at the basis of self-cleaning windows and related applications. Specifically focusing on formic and acetic acids, the two most common atmospheric organic acids, our simulations reveal that these acids control the wettability of TiO 2 largely through acid−base chemistry at the interface rather than chemisorption on the oxide surface, a finding that could help improve the design of self-cleaning surfaces and photocatalytic devices. Finally, we review our recent study of methanol at TiO 2 −water interfaces, a system whose interest is largely motivated by the role of methanol in enhancing photocatalytic hydrogen evolution on TiO 2 . Our simulations provide mechanistic insights into the coupled roles of the organic adsorbate and water at the TiO 2 interface, with implications for how methanol enhances the activity of H 2 evolution.
adsorption↗
A Decision Tool that Combines Discrete Event Software Process Models with System Dynamics Pieces for Software Development Cost Estimation and Analysis
The development process for a large software development project is very complex and dependent on many variables that are dynamic and interrelated. Factors such as size, productivity and defect injection rates will have substantial impact on the project in terms of cost and schedule. These factors can be affected by the intricacies of the process itself as well as human behavior because the process is very labor intensive. The complex nature of the development process can be investigated with software development process models that utilize discrete event simulation to analyze the effects of process changes. The organizational environment and its effects on the workforce can be analyzed with system dynamics that utilizes continuous simulation. Each has unique strengths and the benefits of both types can be exploited by combining a system dynamics model and a discrete event process model. This paper will demonstrate how the two types of models can be combined to investigate the impacts of human resource interactions on productivity and ultimately on cost and schedule.
Mizell, Carolyn Barrett↗
Cross-hatching - A coupling of gas dynamics with the ablation process.
Hypersonic wind tunnel investigation of cross hatched ablation surface patterns due to coupling of gas dynamics with ablation process
Larson, H. K.↗
A real time dynamic data acquisition and processing system for velocity, density, and total temperature fluctuation measurements
The real time Dynamic Data Acquisition and Processing System (DDAPS) is described which provides the capability for the simultaneous measurement of velocity, density, and total temperature fluctuations. The system of hardware and software is described in context of the wind tunnel environment. The DDAPS replaces both a recording mechanism and a separate data processing system. DDAPS receives input from hot wire anemometers. Amplifiers and filters condition the signals with computer controlled modules. The analog signals are simultaneously digitized and digitally recorded on disk. Automatic acquisition collects necessary calibration and environment data. Hot wire sensitivities are generated and applied to the hot wire data to compute fluctuations. The presentation of the raw and processed data is accomplished on demand. The interface to DDAPS is described along with the internal mechanisms of DDAPS. A summary of operations relevant to the use of the DDAPS is also provided.
Clukey, Steven J.↗
The impact of r -process heating on the dynamics of neutron star merger accretion disc winds and their electromagnetic radiation
Neutron star merger accretion discs can launch neutron-rich winds of >10 -2 M⊙. This ejecta is a prime site for r-process nucleosynthesis, which will produce a range of radioactive heavy nuclei. The decay of these nuclei releases enough energy to accelerate portions of the wind by ~0.1c. Here, we investigate the effect of r-process heating on the dynamical evolution of disc winds. We extract the wind from a 3D general relativistic magnetohydrodynamic simulation of a disc from a post-merger system. This is used to create inner boundary conditions for 2D hydrodynamic simulations that continue the original 3D simulation. We perform two such simulations: one that includes the r-process heating, and another one that does not. We follow the hydrodynamic simulations until the winds reach homology (60 s). Using time-dependent multifrequency multidimensional Monte Carlo radiation transport simulations, we then calculate the kilonova light curves from the winds with and without dynamical r-process heating. We find that the r-process heating can substantially alter the velocity distribution of the wind, shifting the mass-weighted median velocity from 0.06c to 0.12c. The inclusion of the dynamical r-process heating makes the light curve brighter and bluer at $\sim 1\, \mathrm{d}$ post-merger. However, the high-velocity tail of the ejecta distribution and the early ($\lesssim 1\, \mathrm{d}$) light curves are largely unaffected.
79 ASTRONOMY AND ASTROPHYSICS↗
Quantum process tomography by 2D fluorescence spectroscopy
Reconstruction of the dynamics (quantum process tomography) of the single-exciton manifold in energy transfer systems is proposed here on the basis of two-dimensional fluorescence spectroscopy (2D-FS) with phase-modulation. The quantum-process-tomography protocol introduced here benefits from, e.g., the sensitivity enhancement ascribed to 2D-FS. Although the isotropically averaged spectroscopic signals depend on the quantum yield parameter Γ of the doubly excited-exciton manifold, it is shown that the reconstruction of the dynamics is insensitive to this parameter. Applications to foundational and applied problems, as well as further extensions, are discussed.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Effects of processing defects on the dynamic tensile mechanical behavior of laser-solid-formed Ti-6Al-4 V
Highlights: • Tensile tests are conducted under coupled effects of strain rate and temperature. • Defects act as crack initiation and propagation sites for dynamic tensile fracture. • Dynamic tension-compression asymmetry is due to different behaviors of defects. • Different deformation of defects results in tensile mechanical anisotropy. • Mechanical anisotropy and asymmetry are sensitive to strain rate and temperature. - Abstract: The initial processing defects, i.e. voids, lack-of-fusion pores and inclusions, are the inevitable and unique microstructural features in the Ti-6Al-4 V (Ti64) alloy manufactured by laser solid forming (LSF). This study was to gain insight into the influences of these processing defects on the tensile thermomechanical response of the material under various strain rates of 0.001/s, 500/s, 1000/s and 3000/s, and under a wide range of temperatures from 298 K to 1273 K. The drastic effects of processing defects on the flow stress were founded to be susceptible to tensile loading and increase with the increasing strain rate. The SEM analysis was carried out to further understand the effect of initial processing defects on the dynamic fracture behavior. These processing defects, such as voids and lack-of-fusion pores, are the most vulnerable position to release impact energy instantaneously and then evolve into the initiation site and propagation path for dynamic tensile crack. The tensile crack under high strain rate and high temperature propagates through the columnar prior-β grain boundary α colony. It was analyzed that the typical tension-compression asymmetry in strength is positively associated with the strain rate in the Ti64 alloy by LSF. Such asymmetry is due to the differences in the deformation mechanism of processing defects and in the activated slip system under tensile and compressive loading. Additionally, the anisotropy of the mechanical property was discussed by examining the positive strain rate effects in two orientations (i.e., perpendicular and parallel to the crystal growth direction). This anisotropy is caused by different mechanical behaviors of lack-of-fusion defects and β grain boundary α colony in different orientations.
36 MATERIALS SCIENCE↗
Hybrid magnonics: Physics, circuits, and applications for coherent information processing
Hybrid dynamic systems have recently gained interest with respect to both fundamental physics and device applications, particularly with their potential for coherent information processing. In this work, we will focus on the recent rapid developments of magnon-based hybrid systems, which seek to combine magnonic excitations with diverse excitations for transformative applications in devices, circuits, and information processing. Key to their promising potentials is that magnons are highly tunable excitations and can be easily engineered to couple with various dynamic media and platforms. The capability of reaching strong coupling with many different excitations has positioned magnons well for studying solid-state coherent dynamics and exploiting unique functionality. In addition, with their gigahertz frequency bandwidth and the ease of fabrication and miniaturization, magnonic devices and systems can be conveniently integrated into microwave circuits for mimicking a broad range of device concepts that have been applied in microwave electronics, photonics, and quantum information. We will discuss a few potential directions for advancing magnon hybrid systems, including on-chip geometry, novel coherent magnonic functionality, and coherent transduction between different platforms. As a future outlook, we will discuss the opportunities and challenges of magnonic hybrid systems for their applications in quantum information and magnonic logic.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Linking Space-Borne and Ground-Based Observations Observed Around Substorm Onset to Magnetospheric Processes
The combined THEMIS five spacecraft in-situ and ground magnetic and camera arrays have advanced considerably our understanding of the causal relationship between midtail plasma flows, transient ionospheric features, and ground magnetic signatures. In particular, recent work has shown a connection between equatorward moving visible ionospheric transients and substorm onset, in both 6300 nm and white-light emissions. Although both observations detail pre-onset auroral features the interpretations differ substantially. We first provide a brief summary of these observations, highlighting in particular areas where the two observations differ, and suggest reasons for the differences. We then detail how these observations relate to dynamical magnetospheric processes, and show how they constrain models of transient convection. Next, we pull together observations and models of Pi2 generation, substorm current wedge (SCW) initiation and dipolarization to present a self-consistent description of the dynamical processes and communicative pathways that occur just prior to and during substorm expansion onset. Finally, we present a summary of open questions and suggest a roadmap for future work.
Kepko, Larry↗
Dynamic annealing in Ge studied by pulsed ion beams
The formation of radiation damage in Ge above room temperature is dominated by complex dynamic annealing processes, involving migration and interaction of ballistically-generated point defects. Here, we study the dynamics of radiation defects in Ge in the temperature range of 100–160 °C under pulsed beam irradiation with 500 keV Ar ions when the total ion fluence is split into a train of equal square pulses. By varying the passive portion of the beam duty cycle, we measure a characteristic time constant of dynamic annealing, which rapidly decreases from ~8 to 0.3 ms with increasing temperature. By varying the active portion of the beam duty cycle, we measure an effective diffusion length of ~38 nm at 110 °C. Results reveal a major change in the dominant dynamic annealing process at a critical transition temperature of ~130 °C. The two dominant dynamic annealing processes have an order of magnitude different activation energies of 0.13 and 1.3 eV.
42 ENGINEERING↗
High-Performance Semiempirical Excited-State Molecular Dynamics Powered by Graphics Processing Units
Here, this Letter introduces excited-state molecular dynamics in PYSEQM, a GPU-accelerated semiempirical quantum chemistry engine implemented in PyTorch. The new module enables Born–Oppenheimer molecular dynamics (BOMD) using configuration-interaction singles and random phase approximation for excited states, allowing long trajectories and large statistical ensembles to be simulated efficiently on a single GPU. We also implement an extended Lagrangian excited-state BOMD (XL-ESMD) scheme that propagates auxiliary electronic variables, enabling relaxed ground and excited-state convergence thresholds without compromising energy conservation. The excited-state BOMD implementation scales smoothly from small chromophores to a nearly 900-atom dendrimer (taking 6.5 s per MD step). PYSEQM also supports batched execution, allowing many geometries or trajectories to be evaluated in a single GPU launch, substantially increasing throughput and making ensemble-based protocols routine. As a demonstration, we compute absorption, emission, and infrared spectra from trajectories propagated on the ground and first excited states. The XL-ESMD scheme yields identical spectra at significantly lower computational cost, establishing the role of extended Lagrangian based dynamics for efficient excited-state BOMD simulations. Beyond raw performance, PYSEQM’s PyTorch foundation provides automatic differentiation for forces, efficient GPU batching, and seamless interfacing with machine learning models. These capabilities position PYSEQM as a practical platform for machine learning-augmented excited-state dynamics and lay the foundation for future data-driven nonadiabatic excited-state dynamics modeling of ultrafast spectroscopic probes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Characterization of the relationship of the cure cycle chemistry to cure cycle processing properties
Dynamic Dielectric measurements made over a wide range of frequency provide a sensitive and convenient means for monitoring the cure process in thermosets and thermoplastics. The measurement of dielectric relaxation is one of only a few instrumental techniques available for studying molecular properties in both the liquid and solid states. Furthermore, it is probably the only convenient experimental technique for studying the polymerization process of going from a monomeric liquid of varying viscosity to a crosslinked, insoluble, high temperature solid. The objective of the research is to develop on-line dielectric instrumentation for quantitative nondestructive material evaluation and closed loop smart cure cycle control. The key is to relate the chemistry of the cure cycle process to the dielectric properties of the polymer system by correlating the time, temperature, and frequency dependent dielectric measurements with chemical characterization measurements. Measurement of the wide variation in magnitude of the complex permittivity with both frequency and state of cure, coupled with chemical characterization work, have been shown in the laboratory to have the potential to determine: resin quality, composition and age; cure cycle window boundaries; onset of flow and point of maximum flow; extent of and completion of reaction; evolution of volatiles; T sub g; and, crosslinking and molecular weight buildup.
Kranbuehl, D. E.↗