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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A gas-dynamical approach to radiation pressure acceleration

The study of high intensity ion beams driven by high power pulsed lasers is an active field of research. Of particular interest is the radiation pressure acceleration, for which simulations predict narrow band ion energies up to GeV. We derive a laser-piston model by applying techniques for non-relativistic gas-dynamics. The model reveals a laser intensity limit, below which sufficient laser-piston acceleration is impossible. The relation between target thickness and piston velocity as a function of the laser pulse length yields an approximation for the permissible target thickness. We performed one-dimensional Particle-In-Cell simulations to confirm the predictions of the analytical model. These simulations also reveal the importance of electromagnetic energy transport. We find that this energy transport limits the achievable compression and rarefies the plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

The design of the electron beam dump unit of Turkish Accelerator Center (TAC)

The required simulations of the electron beam interactions for the design of electron beam dump unit for an accelerator which will operate to get two Infra-Red Free Electron Lasers (IR-FEL) covering the range of 3-250 microns is presented in this work. Simulations have been carried out to understand the interactions of a bulk of specially shaped of four different and widely used materials for the dump materials for a 77 pC, 40 MeV, 13 MHz repetition rate e-beam. In the simulation studies dump materials are chosen to absorb the 99% of the beam energy and to restrict the radio-isotope production in the bulk of the dump. A Lead shielding also designed around the dump core to prevent the leakage out of the all the emitted secondary radiations, e.g., neutrons, photons. The necessary dump material requirements, for the overall design considerations and the possible radiation originated effects on the dump unit, are discussed and presented.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

Simulation of direct plasma injection for laser ion beam acceleration with a radio frequency quadrupole

The direct plasma injection scheme (DPIS) has been being studied at Institute of Modern Physics since several years ago. A C{sup 6+} beam with peak current of 13 mA, energy of 593 keV/u has been successfully achieved after acceleration with DPIS method. To understand the process of DPIS, some simulations have been done as follows. First, with the total current intensity and the relative yields of different charge states for carbon ions measured at the different distance from the target, the absolute current intensities and time-dependences for different charge states are scaled to the exit of the laser ion source in the DPIS. Then with these derived values as the input parameters, the extraction of carbon beam from the laser ion source to the radio frequency quadrupole with DPIS is simulated, which is well agreed with the experiment results.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

X-ray driven channeling acceleration in crystals and carbon nanotubes

Acceleration of particles channeling in a crystal by means of diffracted x-rays via Bormann anomalous transmission was conceived for heavy ions and muons by Tajima and Cavenago [Phys. Rev. Lett. 59, 1440 (1987)], which potentially offers an appreciably high field gradient on the order of GV/cm. The theoretical model of the high gradient acceleration has been studied in two kinds of atomic structure, crystals and carbon nanotubes (CNTs), with analytic calculations and electromagnetic eigenmode simulations. A range of acceleration gradients and cutoffs of the x-ray power (the lowest power limit to overcome the Bremsstrahlung radiation losses) are characterized in terms of the lattice constants, unit cell sizes, and photon energies. The parametric analysis indicates that the required x-ray power can be reduced to an order of megawatt by replacing crystals with CNTs. Eventually, the equivalent dielectric approximation of a multi-wall nanotube shows that 250–810 MeV muons can be synchronously coupled with x-rays of 0.65–1.32 keV in the accelerating structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Client-side and Server-side Programming in Sirepo Framework

Sirepo [1] is an interactive simulation environment for accelerator and beamline design. It is integrated with numbers of widely used scientific codes, including Synchrotron Radiation Workshop (SRW) [2] for accurate X–ray source and optics simulations. Sirepo is a fully open source and could be quickly extended to support the codes from different scientific domains. Sirepo framework covers both client and server–side simulation job management, user management and front–end data presentation. In this present note, we extend Sirepo by adding a new SRW source type for the beamline simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Determining pitch-angle diffusion coefficients from test particle simulations

The transport and acceleration of charged particles in turbulent media are topics of great interest in space physics and interstellar astrophysics. These processes are dominated by the scattering of particles off magnetic irregularities. The scattering process itself is usually described by small-angle scattering, with the pitch-angle coefficient D{sub μμ} playing a major role. Since the diffusion coefficient D{sub μμ} can be determined analytically only for the approximation of quasilinear theory, the determination of this coefficient from numerical simulations has become more important. So far these simulations have yielded particle tracks for small-scale scattering, which can then be interpreted using the running diffusion coefficients. This method has a limited range of validity. This paper presents two new methods that allow for the calculation of the pitch-angle diffusion coefficient from numerical simulations. These methods no longer analyze particle trajectories and instead examine the change of particle distribution functions. It is shown that these methods provide better resolved results and allow for the analysis of strong turbulence. The application of these methods to Monte Carlo simulations of particle scattering and hybrid MHD-particle simulations is presented. Both analysis methods are able to recover the diffusion coefficients used as input for the Monte Carlo simulations and provide better results in MHD simulations, especially for stronger turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

SQERT-T: alleviating kinetic Monte Carlo (KMC)-stiffness in transient KMC simulations [SQERT-T: Alleviating KMC-stiffness in Transient Kinetic Monte Carlo Simulations]

Lattice based kinetic Monte Carlo (KMC) is often used for simulating the dynamics of systems at a supramolecular scale, based on molecular scale transitions. A common challenge in KMC simulations is rapid 'back-and-forth' reactions, which dominate the events executed during simulations and inhibit the ability for simulations to reach longer time scales. Such processes are fast frivolous processes (FFPs) and are one manifestation of a phenomenon referred to as KMC-stiffness. Here, an algorithm for staggered quasi-equilibrium rank-based throttling geared towards transient kinetics (SQERT-T) is presented. Within the SQERT-T methodology, a pace-restrictor reaction and an FFP floor are utilized along with throttling of the process transition rate constants to accelerate the KMC simulations while still retaining sufficient time resolution for sampling of the data. KMC simulations were performed for CO oxidation over RuO 2 (1 1 0) and over RuO 2 (1 1 1), and the results were compared to experimental data obtained using RuO 2 powders. The experiments and simulations were for transient conditions: the system was subjected to a temperature program which included temperatures in the range of 363 to 453 K. Furthermore, the timescales that were achieved during the KMC simulations in this study would not have been accessible without KMC acceleration, and were enabled by the use of SQERT-T.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

A single axis study of flight simulator kinematics by difference techniques

The kinematic parameters of position, velocity, and acceleration of a flight simulator may be calculated by knowing the distance between two or more points on an axis and the time the simulator takes to traverse the space between each set of points. These parameters are calculated through the use of difference techniques. Given the true kinematic response of the simulator to computer generated commands, the entire motion system loop may be calibrated, and system operability verified.

Webster, L. D.↗
NASA NTRS1980

Combustion in an acceleration field: A survey of Soviet literature

The effect of an acceleration field on the burning rate of a solid propellant was measured from -900g's to +1000g's using both double base and ammonium perchlorate based propellants. The acceleration fields were simulated using a centrifuge device and the burning rate was recorded. Both metalized and non-metalized variations of each propellant were tested and it was found that acceleration fields affect the burning rate. For the most part the theoretical predictions and the experimental results agreed.

Radloff, S. J.↗
DOE OSTI2019

Deciphering Off-Target Effects in CRISPR-Cas9 through Accelerated Molecular Dynamics

CRISPR-Cas9 is the state-of-the-art technology for editing and manipulating nucleic acids. However, the occurrence of off-target mutations can limit its applicability. Here, all-atom enhanced molecular dynamics (MD) simulations-using Gaussian accelerated MD (GaMD)-are used to decipher the mechanism of off-target binding at the molecular level. GaMD reveals that base pair mismatches in the target DNA at distal sites with respect to the protospacer adjacent motif (PAM) can induce an extended opening of the RNA:DNA heteroduplex, which leads to newly formed interactions between the unwound DNA and the L2 loop of the catalytic HNH domain. These conserved interactions constitute a "lock" effectively decreasing the conformational freedom of the HNH domain and hampering its activation for cleavage. Remarkably, depending on their positions at PAM distal sites, DNA mismatches responsible for off-target cleavages are unable to "lock" the HNH domain, thereby leading to the unselective cleavage of DNA sequences. In consistency with the available experimental data, the ability to "lock" the catalytic HNH domain in an inactive "conformational checkpoint" is shown to be a key determinant in the onset of off-target effects. This mechanistic rationale contributes in clarifying a long lasting open issue in the CRISPR-Cas9 function and poses the foundation for designing novel and more specific Cas9 variants, which could be obtained by magnifying the "locking" interactions between HNH and the target DNA in the presence of any incorrect off-target sequence, thus preventing undesired cleavages.

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

MO-F-CAMPUS-I-03: GPU Accelerated Monte Carlo Technique for Fast Concurrent Image and Dose Simulation

Purpose: To develop an accurate and fast Monte Carlo (MC) method of simulating CT that is capable of correlating dose with image quality using voxelized phantoms. Methods: A realistic voxelized phantom based on patient CT data, XCAT, was used with a GPU accelerated MC code for helical MDCT. Simulations were done with both uniform density organs and with textured organs. The organ doses were validated using previous experimentally validated simulations of the same phantom under the same conditions. Images acquired by tracking photons through the phantom with MC require lengthy computation times due to the large number of photon histories necessary for accurate representation of noise. A substantial speed up of the process was attained by using a low number of photon histories with kernel denoising of the projections from the scattered photons. These FBP reconstructed images were validated against those that were acquired in simulations using many photon histories by ensuring a minimal normalized root mean square error. Results: Organ doses simulated in the XCAT phantom are within 10% of the reference values. Corresponding images attained using projection kernel smoothing were attained with 3 orders of magnitude less computation time compared to a reference simulation using many photon histories. Conclusion: Combining GPU acceleration with kernel denoising of scattered photon projections in MC simulations allows organ dose and corresponding image quality to be attained with reasonable accuracy and substantially reduced computation time than is possible with standard simulation approaches.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

Start-to-end modelling of a mode-locked optical klystron free electron laser amplifier

A free electron laser (FEL) in a mode-locked optical klystron (MLOK) configuration is modelled using start-to-end simulations that simulate realistic electron beam acceleration and transport before input into a full three-dimensional FEL simulation code. These simulations demonstrate that the MLOK scheme is compatible with the present generation of radiofrequency accelerator designs. A train of few-optical cycle pulses is predicted with peak powers similar to those of the equivalent conventional FEL amplifier. The role of electron beam energy modulation in these results is explained and the limitations of some simulation codes discussed. It is shown how seeding the FEL interaction using a High Harmonic seed laser can improve the coherence properties of the output.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

PCMS: Parallel Coupler For Multimodel Simulations

This paper presents the Parallel Coupler for Multimodel Simulations (PCMS), a new GPU accelerated generalized coupling framework for coupling simulation codes on leadership class supercomputers. PCMS includes distributed control and field mapping methods for up to five dimensions. For field mapping PCMS can utilize discretization and field information to accommodate physics constraints. PCMS is demonstrated with a coupling of the gyrokinetic microturbulence code XGC with a Monte Carlo neutral transport code DEGAS2 and with a 5D distribution function coupling of an energetic particle transport code (GNET) to a gyrokinetic microturbulence code (GTC). Weak scaling is also demonstrated on up to 2,080 GPUs of Frontier with a weak scaling efficiency of 85%.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1992

DEPEND: A simulation-based environment for system level dependability analysis

The design and evaluation of highly reliable computer systems is a complex issue. Designers mostly develop such systems based on prior knowledge and experience and occasionally from analytical evaluations of simplified designs. A simulation-based environment called DEPEND which is especially geared for the design and evaluation of fault-tolerant architectures is presented. DEPEND is unique in that it exploits the properties of object-oriented programming to provide a flexible framework with which a user can rapidly model and evaluate various fault-tolerant systems. The key features of the DEPEND environment are described, and its capabilities are illustrated with a detailed analysis of a real design. In particular, DEPEND is used to simulate the Unix based Tandem Integrity fault-tolerance and evaluate how well it handles near-coincident errors caused by correlated and latent faults. Issues such as memory scrubbing, re-integration policies, and workload dependent repair times which affect how the system handles near-coincident errors are also evaluated. Issues such as the method used by DEPEND to simulate error latency and the time acceleration technique that provides enormous simulation speed up are also discussed. Unlike any other simulation-based dependability studies, the use of these approaches and the accuracy of the simulation model are validated by comparing the results of the simulations, with measurements obtained from fault injection experiments conducted on a production Tandem Integrity machine.

Goswami, Kumar↗
DOE OSTI2025

Aerosol Decline Accelerates the Increasing Extreme Precipitation in China

Extreme precipitation is becoming more intense and frequent. The increasing trends in extreme precipitation in China in warm season related to changes in aerosols and greenhouse gases (GHGs) are investigated using observations, reanalysis data and model simulations. A significant accelerating increase in extreme precipitation occurred around 2010, with the trend in accumulated extreme rainfall amount (R95pTOT) increasing from 2.88 mm per decade during 2000–2010 to 22.88 mm per decade during 2010–2023. The sudden acceleration of the increasing extreme precipitation is largely attributed to the reverse in aerosol trends associated with China’s clean air actions, which affects extreme precipitation through perturbing cloud microphysics and atmospheric dynamics, accounting for half of the change in R95pTOT trends. Future aerosol reduction to achieve carbon neutrality is shown to continue to intensify the extreme precipitation, which overweighs the effect induced by GHGs, highlighting the importance of aerosol changes in modulating future climate and weather extremes.

58 GEOSCIENCES↗
DOE OSTI2021

Vibration of a cryomodule’s coupler during road transportation: Multibody analysis and experimental validation

The road transportation of critical components for cryogenic cryomodules is a challenging task. Indeed, the shipping and the handling of fundamental sub-assemblies can expose these components to harmful dynamic loads that can jeopardize their structural integrity. This article has the purpose of developing a finite element multibody model capable of assessing the acceleration on a test coupler for a cavity of the Single Spoke Resonator 1 subjected to a typical road transportation trip. A multibody model consisting of rigid bodies and finite element–imported flexible bodies has been created allowing a comparison of the simulated and experimental acceleration. Afterwards, an experimental on-road test, whose set-up is described in this article, has been carried out at Fermilab with instrumented components. Being able to effectively simulate and validate the dynamic effects on such sub-assemblies makes it possible, for the future, to simulate more complex structures subject to dynamic loadings, such as the entire cryomodules during shipping. Furthermore, the results from the simulations can be used to guide the design of new suspension systems suitable for the reduction mitigation of structural vibration during the road transportation of cryomodules.

42 ENGINEERING↗
DOE OSTI2026

Learning Latent Representations to Bridge Coarse-Grained and Atomistic Resolutions in Polymer Simulations

We present a machine-learning-based framework for learning reduced-order representations of polymer chain conformations across coarse-grained (CG) and united-atom (UA) fidelities. By employing linear singular value decomposition and nonlinear autoencoders, we compress high-dimensional polymer configurations into latent spaces with minimal loss of structural accuracy. Crucially, we demonstrate a near-perfect linear mapping between CG and UA latent spaces, enabling an efficient super-resolution back-mapping procedure that reconstructs high-fidelity UA configurations from CG simulations. While minor structural inaccuracies occur, they are effectively corrected through a brief molecular dynamics relaxation, forming a practical hybrid machine learning−physics scheme. This approach establishes the key structural prerequisites for accelerated polymer dynamics simulations: a compact and accurate latent encoding of polymer chain conformations and a validated multi-fidelity mapping that permits reconstruction of UA structures from CG configurations. The extension of this framework to explicit time evolution within the latent space, enabling dynamics to be propagated at CG fidelity and decoded to UA resolution only when required, represents a natural and well-motivated direction for future work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Direct simulation Monte Carlo investigation of the Rayleigh-Taylor instability

In this paper, the Rayleigh-Taylor instability (RTI) is investigated using the direct simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, fully resolved two-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode perturbed interfaces between two atmospheric-pressure monatomic gases as a function of the Atwood number and the gravitational acceleration. The DSMC simulations reproduce many qualitative features of the growth of the mixing layer and are in reasonable quantitative agreement with theoretical and empirical models in the linear, nonlinear, and self-similar regimes. In some of the simulations at late times, the instability enters the self-similar regime, in agreement with experimental observations. Finally, for the conditions simulated, diffusion can influence the initial instability growth significantly.

42 ENGINEERING↗