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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Hypervelocity impact facility for simulating materials exposure to impact by space debris

The Space Power Institute at Auburn University has constructed an electromagnetically driven particle accelerator for simulating the effects of space debris on the materials for use in advanced spacecraft. The facility consists of a capacitively driven accelerator section, a drift tube and a specimen impact chamber. The drift tube is sufficiently long that all electrical activity has ceased prior to impact in the specimen chamber. The impact chamber is large enough to allow a wide range of specimen geometries, ranging from small coupons to active portions of advanced spacecraft. The electric drive for the accelerator consists of a 67 kJ, 50 k capacitor bank arranged in a low inductance configuration. The bank is discharged through an aluminum armature/plastic ablator plate/projectile load in roughly 1.2 microsec. The evaporation of the ablaitor plate produces an expanding gas slug, mostly H2, traveling at a velocity of some 60 km/sec. Because of the pressure and local density, the expanding gas cloud accelerates projectiles due to plasma drag. To date, we have utilized projectiles consisting of 100 micron SiC, 100 and 400 micron Al2O3, 100 and 145 micron olivines. Since many particles are accelerated in a given experiment, there is a range of velocities for each shot as well as some particle breakup. Advanced diagnostics techniques allow determination of impact coordinates, velocity, and approximate size for as many as 50 individual impacts in a given experiment. We routinely measure velocities in the range 1-15 km/sec. We have used this facility to study a variety of impact generated phenomena on coated surfaces, both paint and plastic, thermal blanket material, solar cell arrays, and optical materials such as glass and quartz lenses. The operating characteristics of the gun, the advanced diagnostic scheme, and the results of studies of crater morphology are described in detail. Projectile residue analysis, as a function of impact velocity for the materials listed above, is also discussed. Wherever possible, these results are compared to those obtained by LDEF investigators and future experiments suggested which could help to explain unique features associated with LDEF impacts.

Rose, M. Frank↗
DOE OSTI2025

Energy Conversion and Electron Acceleration and Transport in 3D Simulations of Solar Flares

Recent observations and simulations indicate that solar flares undergo extremely complex 3D evolution, making 3D particle transport models essential for understanding electron acceleration and interpreting flare emissions. In this study, we investigate this problem by solving Parker’s transport equation with 3D MHD simulations of solar flares. By examining energy conversion in the 3D system, we evaluate the roles of different acceleration mechanisms, including reconnection current sheet (CS), termination shock (TS), and supra-arcade downflows (SADs). We find that large-amplitude turbulent fluctuations are generated and sustained in the 3D system. The model results demonstrate that a significant number of electrons are accelerated to hundreds of keV and even a few MeV, forming power-law energy spectra. These energetic particles are widely distributed, with concentrations at the TS and in the flare looptop region, consistent with results derived from recent hard X-ray (HXR) and microwave (MW) observations. By selectively turning particle acceleration on or off in specific regions, we find that the CS and SADs effectively accelerate electrons to several hundred keV, while the TS enables further acceleration to MeV. However, no single mechanism can independently account for the significant number of energetic electrons observed. Instead, the mechanisms work synergistically to produce a large population of accelerated electrons. Our model provides spatially and temporally resolved electron distributions in the whole flare region and at the flare footpoints, enabling synthetic HXR and MW emission modeling for comparison with observations. These results offer important insights into electron acceleration and transport in 3D solar flare regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Simulations of the Biodegradation of Citrate Based Polymers for Artificial Scaffolds Using Accelerated Reactive Molecular Dynamics

Here, we explore the reactivity and mechanical properties of poly(1,6-hexanediol-co-Citric acid) via ReaxFF molecular dynamics simulations. We implement an accelerated scheme within the ReaxFF framework to study the hydrolysis reaction of the polymer which is provided with sufficient amount of energy known as the restrain energy after a suitable pre-transition state configuration is obtained to overcome the activation energy barrier and the desired product is obtained. The validity of the ReaxFF force field is established by comparing the ReaxFF energy barriers of ester and ether hydrolysis with benchmark DFT values in literature. We perform chemical and mechanical degradation of polymer chain bundles at 300 K. We find that ester hydrolyzes faster than ether due to lower activation energy barrier of the reaction. The selectivity of the bond-boost scheme has been demonstrated by lowering the boost parameters of the accelerated simulation which almost stops the ether hydrolysis. Mechanical degradation of pre-hydrolyzed and intermittent hydrolyzed polymer bundles is performed along the longitudinal direction at two different strain rates. We find that the tensile modulus of the polymers are increases with increase in strain rates which shows that polymers show a strain dependent behavior. The tensile modulus of the Polyester-ether is higher than Polyester yet reaches yield-stress faster than Polyester. This makes Polyester more ductile than Polyester-ether.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

Relativistic Particle-in-Cell Simulation Studies of Prompt and Early Afterglows Observed by GLAST

Nonthermal radiation observed from astrophysical systems containing relativistic jets and shocks, e.g., gamma-ray bursts (GRBs), active galactic nuclei (AGNs), and Galactic microquasar systems usually have power-law emission spectra. Recent PIC simulations using injected relativistic electron-ion (electro-positron) jets show that acceleration occurs within the downstream jet. Shock acceleration is a ubiquitous phenomenon in astrophysical plasmas. Plasma waves and their associated instabilities (e.g., the Buneman instability, other two-streaming instability, and the Weibel instability) created in the shocks are responsible for particle (electron, positron, and ion) acceleration. The simulation results show that the Weibel instability is responsible for generating and amplifying highly nonuniform, small-scale magnetic fields. These magnetic fields contribute to the electron's transverse deflection behind the jet head. The "'jitter" radiation from deflected electrons has different properties than synchrotron radiation which is calculated in a uniform magnetic field. This jitter radiation may be important to understanding the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jets, and supernova remnants.

Mizuno, Y.↗
NASA NTRS2007

Drift-Resonant Interaction of Magnetospheric Relativistic Electrons with Ultra-Low Frequency (ULF) Waves: Comparison between Observations and Simulations

By analyzing CRRES and GOES observations on Aug. 27 1991, Tan et al. [2004] reported evidence of magnetospheric relativistic electron acceleration by resonant interactions with PC5 ULF waves. The event showed strong ULF wave activities after a storm sudden commencement (SSC) and energetic electron fluxes were enhanced in 2 hours. The electron flux peak observed in energy channels (0.6 - 1.1 MeV) were modulated by local electric field observed by CRRES. In this study, we set up a drift-resonant interaction model between ULF wave and magnetospheric relativistic electrons to model the observed electron flux in the event. In this model, the poloidal mode wave is concentrated in the dayside and the toroidal mode wave is concentrated in two flanks. The toroidal mode waves in the dawn and dusk flanks are in anti-phase. We found that electron can be accelerated jointly by the poloidal wave in the dayside and toroidal wave in flanks. The dayside poloidal wave serves as the dominant source of electron acceleration. The simulated electron flux variations agree well with observations both in fine details and long period behavior. These agreements in electron behavior indicate that the ULF wave plays an important role in accelerating MeV relativistic electrons around the geosynchronous orbit.

Fung, Shing↗
DOE OSTI2017

Effects of dimensionality on kinetic simulations of laser-ion acceleration in the transparency regime

A particle-in-cell study of laser-ion acceleration mechanisms in the transparency regime illustrates how two-dimensional (2D) S and P simulations (laser polarization in and out of the simulation plane, respectively) capture different physics characterizing these systems, visible in their entirety in often cost-prohibitive three-dimensional (3D) simulations. The electron momentum anisotropy induced in the target by the laser pulse is dramatically different in the two 2D cases, manifested in differences in target expansion timescales, electric field strengths, and density thresholds for the onset of relativistically induced transparency. In particular, 2D-P simulations exhibit dramatically greater electron heating in the simulation plane, whereas 2D-S ones show a much more isotropic energy distribution, similar to 3D. An ion trajectory analysis allows one to isolate the fields responsible for ion acceleration and to characterize the acceleration regimes in time and space. The artificial longitudinal electron heating in 2D-P exaggerates the effectiveness of target-normal sheath acceleration into its dominant acceleration mechanism throughout the laser-plasma interaction, whereas 2D-S and 3D both have sizable populations accelerated preferentially during transparency.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1991

A comparison of acceleration control and pulse control in simulated spacecraft docking maneuvers

Results are reported from a study designed to compare acceleration control with pulse control in simulated spacecraft docking maneuvers. Nine commercial airline pilots served as test subjects and the simulated remote dockings of an orbital maneuvering vehicle (OMV) to a space station were initiated from 50, 100, and 150 meters along the station's minus velocity vector. The trials were grouped into blocks of 18 consisting of six repetitions of the three ranges. It was found that mission duration was lower with pulse mode, while fuel consumption was lower with acceleration mode. It is suggested that this result is most likely specific to the thruster values that are being used.

Brody, Adam R.↗
DOE OSTI2022

Mechanism of tethered agonist-mediated signaling by polycystin-1

Mutations of polycystin-1 (PC1) are the major cause (85% of cases) of autosomal dominant polycystic kidney disease (ADPKD), which is the fourth leading cause of kidney failure. PC1 is thought to function as an atypical G protein-coupled receptor, yet the mechanism by which PC1 regulates G-protein signaling remains poorly understood. A significant portion of ADPKD mutations of PC1 encode a protein with defects in maturation or reduced function that may be amenable to functional rescue. In this work, we have combined complementary biochemical and cellular assay experiments and accelerated molecular simulations, which revealed an allosteric transduction pathway in activation of the PC1 C-terminal fragment. Our findings will facilitate future rational drug design efforts targeting the PC1 signaling function. Polycystin-1 (PC1) is an important unusual G protein-coupled receptor (GPCR) with 11 transmembrane domains, and its mutations account for 85% of cases of autosomal dominant polycystic kidney disease (ADPKD). PC1 shares multiple characteristics with Adhesion GPCRs. These include a GPCR proteolysis site that autocatalytically divides these proteins into extracellular, N-terminal, and membrane-embedded, C-terminal fragments (CTF), and a tethered agonist (TA) within the N-terminal stalk of the CTF that is suggested to activate signaling. However, the mechanism by which a TA can activate PC1 is not known. Here, we have combined functional cellular signaling experiments of PC1 CTF expression constructs encoding wild type, stalkless, and three different ADPKD stalk variants with all-atom Gaussian accelerated molecular dynamics (GaMD) simulations to investigate TA-mediated signaling activation. Correlations of residue motions and free-energy profiles calculated from the GaMD simulations correlated with the differential signaling abilities of wild type and stalk variants of PC1 CTF. They suggested an allosteric mechanism involving residue interactions connecting the stalk, Tetragonal Opening for Polycystins (TOP) domain, and putative pore loop in TA-mediated activation of PC1 CTF. Key interacting residues such as N3074–S3585 and R3848–E4078 predicted from the GaMD simulations were validated by mutagenesis experiments. Together, these complementary analyses have provided insights into a TA-mediated activation mechanism of PC1 CTF signaling, which will be important for future rational drug design targeting PC1.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Accelerating population balance-Monte Carlo simulation for coagulation dynamics from the Markov jump model, stochastic algorithm and GPU parallel computing

This paper proposes a comprehensive framework for accelerating population balance-Monte Carlo (PBMC) simulation of particle coagulation dynamics. By combining Markov jump model, weighted majorant kernel and GPU (graphics processing unit) parallel computing, a significant gain in computational efficiency is achieved. The Markov jump model constructs a coagulation-rule matrix of differentially-weighted simulation particles, so as to capture the time evolution of particle size distribution with low statistical noise over the full size range and as far as possible to reduce the number of time loopings. Here three coagulation rules are highlighted and it is found that constructing appropriate coagulation rule provides a route to attain the compromise between accuracy and cost of PBMC methods. Further, in order to avoid double looping over all simulation particles when considering the two-particle events (typically, particle coagulation), the weighted majorant kernel is introduced to estimate the maximum coagulation rates being used for acceptance–rejection processes by single-looping over all particles, and meanwhile the mean time-step of coagulation event is estimated by summing the coagulation kernels of rejected and accepted particle pairs. The computational load of these fast differentially-weighted PBMC simulations (based on the Markov jump model) is reduced greatly to be proportional to the number of simulation particles in a zero-dimensional system (single cell). Finally, for a spatially inhomogeneous multi-dimensional (multi-cell) simulation, the proposed fast PBMC is performed in each cell, and multiple cells are parallel processed by multi-cores on a GPU that can implement the massively threaded data-parallel tasks to obtain remarkable speedup ratio (comparing with CPU computation, the speedup ratio of GPU parallel computing is as high as 200 in a case of 100 cells with 10 000 simulation particles per cell). These accelerating approaches of PBMC are demonstrated in a physically realistic Brownian coagulation case. The computational accuracy is validated with benchmark solution of discrete-sectional method. The simulation results show that the comprehensive approach can attain very favorable improvement in cost without sacrificing computational accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Efficient rejection-based simulation of biochemical reactions with stochastic noise and delays

We propose a new exact stochastic rejection-based simulation algorithm for biochemical reactions and extend it to systems with delays. Our algorithm accelerates the simulation by pre-computing reaction propensity bounds to select the next reaction to perform. Exploiting such bounds, we are able to avoid recomputing propensities every time a (delayed) reaction is initiated or finished, as is typically necessary in standard approaches. Propensity updates in our approach are still performed, but only infrequently and limited for a small number of reactions, saving computation time and without sacrificing exactness. We evaluate the performance improvement of our algorithm by experimenting with concrete biological models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Kinetic Simulations of Instabilities and Particle Acceleration in Cylindrical Magnetized Relativistic Jets

Relativistic magnetized jets, such as those from AGN, GRBs, and XRBs, are susceptible to current- and pressure-driven MHD instabilities that can lead to particle acceleration and nonthermal radiation. Here, we investigate the development of these instabilities through 3D kinetic simulations of cylindrically symmetric equilibria involving toroidal magnetic fields with electron–positron pair plasma. Generalizing recent treatments by Alves et al. and Davelaar et al., we consider a range of initial structures in which the force due to toroidal magnetic field is balanced by a combination of forces due to axial magnetic field and gas pressure. We argue that the particle energy limit identified by Alves et al. is due to the finite duration of the fast magnetic dissipation phase. We find a rather minor role of electric fields parallel to the local magnetic fields in particle acceleration. In all investigated cases, a kink mode arises in the central core region with a growth timescale consistent with the predictions of linearized MHD models. In the case of a gas-pressure-balanced (Z-pinch) profile, we identify a weak local pinch mode well outside the jet core. We argue that pressure-driven modes are important for relativistic jets, in regions where sufficient gas pressure is produced by other dissipation mechanisms.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2000

Accelerated Aging of the M119 Simulator

This paper addresses the storage requirement, shelf life, and the reliability of M119 Whistling Simulator. Experimental conditions have been determined and the data analysis has been completed for the accelerated testing of the system. A general methodology to evaluate the shelf life of the system as a function of the storage time, temperature, and relative humidity is discussed.

Bixon, Eric R.↗
NASA NTRS1988

Simulation of launch and re-entry acceleration profiles for testing of Shuttle and unmanned microgravity research payloads

A procedure was developed for the simulation of the launch and reentry acceleration profiles of the Space Shuttle (3.3 and 1.7 g maximum, respectively) and of two versions of NASA's proposed materials research Reusable Reentry Satellite (RRS) (8 and 4 g maximum, respectively). With a 7-m centrifuge, the time dependence of five different acceleration episodes was simulated for payload masses up to 59 kg. Test results obtained for the Materials Dispersion Apparatus, a commercial low-cost payload device, are presented.

Cassanto, J. M.↗
DOE OSTI2022

Local Lagrangian reduced-order modeling for the Rayleigh-Taylor instability by solution manifold decomposition

The Rayleigh-Taylor instability is a classical hydrodynamic instability of great interest in various disciplines of science and engineering, including astrophysics, atmospheric sciences and climate, geophysics, and fusion energy. Analytical methods cannot be applied to explain the long-time behavior of the Rayleigh-Taylor instability, and therefore, numerical simulation of the full problem is required. However, in order to capture the growth of amplitude of perturbations accurately, both the spatial and temporal discretizations need to be extremely fine for traditional numerical methods, and long-time simulation may become prohibitively expensive. In this paper, we propose efficient reduced order model techniques to accelerate the simulation of the Rayleigh-Taylor instability in compressible gas dynamics. Here, we introduce a general framework for decomposing the solution manifold to construct the temporal domain partition and temporally-local reduced order model construction with varying Atwood number. We propose two practical approaches in this framework, namely decomposition by physical time and by penetration distance. Numerical results are presented to examine the performance of the proposed approaches.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Predicting Atomistic Transitions with Transformers

Accurate knowledge of the atomistic transition pathways in materials and material surfaces is crucial for many material science problems. However, conventional simulation techniques used to find these transitions are extremely computationally intensive. Even with large-scale, accelerated material simulations, the computational cost constrains the applicable domain in practice. Machine learning models, with the potential to learn the complex emergent behaviors governing atomistic transitions as a fast surrogate model, have great promise to predict transitions with a vastly reduced computational cost. Here, we demonstrate how transformers can be trained to predict atomistic transitions in nano-clusters. We show how we evaluate physical validity of the predictions and how a multitude of additional, different microstates can be generated by slightly varying the data provided to the model.

36 MATERIALS SCIENCE↗
NASA NTRS1966

Rectilinear accelerometer possesses self- calibration feature

Rectilinear accelerometer operates from an ac source with a phase-sensitive ac voltage output proportional to the applied accelerations. The unit includes an independent circuit for self-test which provides a sensor output simulating an acceleration applied to the sensitive axis of the accelerometer.

Henderson, R. B.↗
DOE OSTI2014

Note: Numerical simulation and experimental validation of accelerating voltage formation for a pulsed electron accelerator

This paper describes the development of a computation model of a pulsed voltage generator for a repetitive electron accelerator. The model is based on a principle circuit of the generator, supplemented with the parasitics elements of the construction. Verification of the principle model was achieved by comparison of simulation with experimental results, where reasonable agreement was demonstrated for a wide range of generator load resistance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗