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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

A Fast and Accurate Method of Radiation Hydrodynamics Calculation in Spherical Symmetry

We develop a new numerical scheme for solving the radiative transfer equation in a spherically symmetric system. This scheme does not rely on any kind of diffusion approximation, and it is accurate for optically thin, thick, and intermediate systems. In the limit of a homogeneously distributed extinction coefficient, our method is very accurate and exceptionally fast. We combine this fast method with a slower but more generally applicable method to describe realistic problems. We perform various test calculations, including a simplified protostellar collapse simulation. We also discuss possible future improvements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

The shape of the inner Milky Way halo from observations of the Pal 5 and GD-1 stellar streams

We constrain the shape of the Milky Way’s halo by dynamical modeling of the observed phase-space tracks of the Pal 5 and GD–1 tidal streams. We find that the only information about the potential gleaned from the tracks of these streams are precise measurements of the shape of the gravitational potential—the ratio of vertical to radial acceleration—at the location of the streams, with weaker constraints on the radial and vertical accelerations separately. The latter will improve significantly with precise proper-motion measurements from Gaia. We measure that the overall potential flattening is 0.95 ± 0.04 at the location of GD–1 ([R,Z]≈[12.5,6.7] kpc) and 0.94 ± 0.05 at the position of Pal 5 ([R,Z]≈[8.4,16.8] kpc). Combined with constraints on the force field near the Galactic disk, we determine that the axis ratio of the dark-matter halo’s density distribution is 1.05 ± 0.14 within the inner 20 kpc, with a hint that the halo becomes more flattened near the edge of this volume. The halo mass within 20 kpc is (1.1±0.1)×10{sup 11} M{sub ⊙}. A dark-matter halo this close to spherical is in tension with the predictions from numerical simulations of the formation of dark-matter halos.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1991

Aircraft Ship Operations

The interest in the use of shipborne aircraft is widespread among NATO countries. Major weapons systems like aircraft carriers with conventional fixed-wing aircraft, VSTOL aircraft or helicopters embarked, are operated by the United States, the United Kingdom, France, Italy and Spain. Nearly all NATO countries employ various classes of smaller ships as helicopter platforms for amphibious assault, anti-submarine warfare or search and rescue. The deployment of aircraft on board ships presents unusual and difficult technical and operational problems. Considering the multi-national interest in aircraft/ship operations it was considered meaningful and timely for the Flight Mechanics Panel to sponsor a symposium on this topic. This symposium considered problems of mutual interest connected with fixed and rotary wing aircraft operations from ships, and the application of new technology to enhance such operations. The Symposium reviewed and assessed the current problems and possible future progress in: - The ship environment in terms of wind, temperature, precipitation, turbulence and deck motion. - Guidance, Controls and Displays, primarily in the approach and landing phase. - Flight Test and Simulation Techniques. - Launch, Recovery and Handling Systems Developments. - Operational/Pilot Views. - Future Developments.

Aircraft carriers↗
DOE OSTI2016

Whistler turbulence heating of electrons and ions: Three-dimensional particle-in-cell simuations

In this study, the decay of whistler turbulence in a collisionless, homogeneous, magnetized plasma is studied using three-dimensional particle-in-cell simulations. The simulations are initialized with a narrowband, relatively isotropic distribution of long wavelength whistler modes. A first ensemble of simulations at electron beta ${\beta }_{{\rm{e}}}$ = 0.25 and ion-to-electron mass ratio ${m}_{{\rm{i}}}$/${m}_{{\rm{e}}}$ = 400 is carried out on a domain cube of dimension $L{\omega }_{\mathrm{pi}}$/c = 5.12 where ${\omega }_{\mathrm{pi}}$ is the ion plasma frequency. The simulations begin with a range of dimensionless fluctuating field energy densities, ${\epsilon }_{{\rm{o}}}$, and follow the fluctuations as they cascade to broadband, anisotropic turbulence which dissipates at shorter wavelengths, heating both electrons and ions. The electron heating is stronger and preferentially parallel/antiparallel to the background magnetic field ${{\boldsymbol{B}}}_{{\rm{o}}};$ the ion energy gain is weaker and is preferentially in directions perpendicular to ${{\boldsymbol{B}}}_{{\rm{o}}}$. The important new results here are that, over 0.01 < ${\epsilon }_{{\rm{o}}}$ < 0.25, the maximum rate of electron heating scales approximately as ${\epsilon }_{{\rm{o}}}$, and the maximum rate of ion heating scales approximately as ${\epsilon }_{{\rm{o}}}^{1.5}$. A second ensemble of simulations at ${\epsilon }_{{\rm{o}}}$ = 0.10 and ${\beta }_{{\rm{e}}}$ = 0.25 shows that, over 25 < ${m}_{{\rm{i}}}$/${m}_{{\rm{e}}}\;$< 1836, the ratio of the maximum ion heating rate to the maximum electron heating rate scales approximately as ${m}_{{\rm{e}}}$/${m}_{{\rm{i}}}$.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Vortex mode excitation in a multimode fiber by the Laguerre-Gaussian laser beams

The coupling of Laguerre-Gaussian (LG) vortex modes into the Bessel vortex modes in a multimode fiber was analyzed using the vector form of LG beams. A formula for estimating the transmission coefficients of the excited vortex modes was developed. Analytical calculation results show that the coupling coefficients are affected by the focus size. With proper beam waist radius most the power of incident vortex mode can couple into single vortex mode. The numerical simulation was also carried out, and the simulation results are in good agreement with those from the analytical model.

42 ENGINEERING↗
DOE OSTI2019

Fluid Flow, Thermal Stratification, and Inclusion Motion During Holding Period in Steel Ladles

In the current study, the fluid flow and thermal stratification during the holding period are numerically simulated. The standard k–ε two-equation turbulence model is adopted to describe the turbulence. The trajectories of inclusions are calculated by the discrete phase model (DPM) considering the stochastic effect of turbulence. Two different initial conditions for the flow field are compared: the quiescent state of flow and the fluid flow induced by gas stirring. Significant differences are observed between these cases. In practice, the holding period starts from the shut-off of the gas blowing. Thus, it is proposed that the flow field at the terminal of gas stirring should be considered for the simulation of the fluid flow, heat transfer, and inclusion motion during the holding period.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Experimental Validation of Numerical Simulations of a New-Generation NiTi Endodontic File Under Bending

The superelasticity of NiTi shape memory alloy has been used in endodontics since the 1990s. To study the mechanical behavior of endodontic instruments, a traditional approach consists in experimental investigations. However, finite element analysis constitutes another way to assess their mechanical behavior and to facilitate their design. The main aim of this study is to compare experimental and numerical bending results on different structures (NiTi wire, spreader, and instruments) to estimate the reliability of the finite element simulations. These investigations were carried out as follows. Firstly, experimental material parameters identification was performed using NiTi wires. These parameters were implemented in an appropriate NiTi model. Bending was numerically applied to the meshed structures generated by the finite element method. Experimental tests were performed on real structures under bending, with exactly the same loading, in order to compare experimental and numerical results. These results were in good agreement for each of the considered structures. This enabled the validation of the simulation results and the use of simulations to design new endodontic instruments.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Global properties and bifurcation analysis of an HIV-1 infection model with two target cells

In this paper, the authors consider a four-compartmental HIV epidemiological model, which describes the interaction between HIV virus and two target cells, CD4 T cells and macrophages in vivo. It is proved that the bilinear incidence can cause the backward bifurcation, where a locally asymptotically stable disease-free equilibrium co-exists with a locally asymptotically stable endemic equilibrium when the basic reproduction number (R{sub 0}) is less than unity. It is shown that a sequence of Hopf bifurcations occur at the endemic equilibrium by choosing one parameter of the model as the bifurcation parameter. Meanwhile, the global asymptotic stabilities of the equilibria are established by constructing suitable Lyapunov functions under some conditions. Furthermore, the authors develop an extended model by incorporating with the intracellular delays and derive global asymptotic stability of the delayed model by constructing Lyapunov functions. Some numerical simulations for justifying the theoretical analysis results are also given.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Low-mass molecular dynamics simulation: A simple and generic technique to enhance configurational sampling

Highlights: • Reducing atomic masses by 10-fold vastly improves sampling in MD simulations. • CLN025 folded in 4 of 10 × 0.5-μs MD simulations when masses were reduced by 10-fold. • CLN025 folded as early as 96.2 ns in 1 of the 4 simulations that captured folding. • CLN025 did not fold in 10 × 0.5-μs MD simulations when standard masses were used. • Low-mass MD simulation is a simple and generic sampling enhancement technique. - Abstract: CLN025 is one of the smallest fast-folding proteins. Until now it has not been reported that CLN025 can autonomously fold to its native conformation in a classical, all-atom, and isothermal–isobaric molecular dynamics (MD) simulation. This article reports the autonomous and repeated folding of CLN025 from a fully extended backbone conformation to its native conformation in explicit solvent in multiple 500-ns MD simulations at 277 K and 1 atm with the first folding event occurring as early as 66.1 ns. These simulations were accomplished by using AMBER forcefield derivatives with atomic masses reduced by 10-fold on Apple Mac Pros. By contrast, no folding event was observed when the simulations were repeated using the original AMBER forcefields of FF12SB and FF14SB. The results demonstrate that low-mass MD simulation is a simple and generic technique to enhance configurational sampling. This technique may propel autonomous folding of a wide range of miniature proteins in classical, all-atom, and isothermal–isobaric MD simulations performed on commodity computers—an important step forward in quantitative biology.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Multiple-time-stepping generalized hybrid Monte Carlo methods

Performance of the generalized shadow hybrid Monte Carlo (GSHMC) method [1], which proved to be superior in sampling efficiency over its predecessors [2–4], molecular dynamics and hybrid Monte Carlo, can be further improved by combining it with multi-time-stepping (MTS) and mollification of slow forces. We demonstrate that the comparatively simple modifications of the method not only lead to better performance of GSHMC itself but also allow for beating the best performed methods, which use the similar force splitting schemes. In addition we show that the same ideas can be successfully applied to the conventional generalized hybrid Monte Carlo method (GHMC). The resulting methods, MTS-GHMC and MTS-GSHMC, provide accurate reproduction of thermodynamic and dynamical properties, exact temperature control during simulation and computational robustness and efficiency. MTS-GHMC uses a generalized momentum update to achieve weak stochastic stabilization to the molecular dynamics (MD) integrator. MTS-GSHMC adds the use of a shadow (modified) Hamiltonian to filter the MD trajectories in the HMC scheme. We introduce a new shadow Hamiltonian formulation adapted to force-splitting methods. The use of such Hamiltonians improves the acceptance rate of trajectories and has a strong impact on the sampling efficiency of the method. Both methods were implemented in the open-source MD package ProtoMol and were tested on a water and a protein systems. Results were compared to those obtained using a Langevin Molly (LM) method [5] on the same systems. The test results demonstrate the superiority of the new methods over LM in terms of stability, accuracy and sampling efficiency. This suggests that putting the MTS approach in the framework of hybrid Monte Carlo and using the natural stochasticity offered by the generalized hybrid Monte Carlo lead to improving stability of MTS and allow for achieving larger step sizes in the simulation of complex systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Stable explicit coupling of the Yee scheme with a linear current model in fluctuating magnetized plasmas

This work analyzes the stability of the Yee scheme for non-stationary Maxwell's equations coupled with a linear current model with density fluctuations. We show that the usual procedure may yield unstable scheme for physical situations that correspond to strongly magnetized plasmas in X-mode (TE) polarization. We propose to use first order clustered discretization of the vectorial product that gives back a stable coupling. We validate the schemes on some test cases representative of direct numerical simulations of X-mode in a magnetic fusion plasma including turbulence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

An improved Monte Carlo (MC) dose simulation for charged particle cancer therapy

Heavy-particle therapy such as carbon ion therapy are more popular nowadays because of the nature characteristics of charged particle and almost no side effect to patients. An effective treatment is achieved with high precision of dose calculation, in this research work, Geant4 based Monte Carlo simulation method has been used to calculate the radiation transport and dose distribution. The simulation have the same setting with the treatment room in Heavy Ion Medical Accelerator, HIMAC. The carbon ion beam at the isocentric gantry nozzle for the therapeutic energy of 290 MeV/u was simulated, experimental work was carried out in National Institute of Radiological Sciences, NIRS, Chiba, Japan by using the HIMAC to confirm the accuracy and qualities dose distribution by MC methods. The Geant4 based simulated dose distribution were verified with measurements for Bragg peak and spread out Bragg peak (SOBP) respectively. The verification of results shows that the Bragg peak depth-dose and SOBP distributions in simulation has good agreement with measurements. In overall, the study showed that Geant4 based can be fully applied in the heavy-ion therapy field for simulation, further works need to be carry on to refine and improve the Geant4 MC simulations.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2014

A direct underground measurement of the {sup 17}O(p,α){sup 14}N reaction cross-section at energies of astrophysical interest

The {sup 17}O(p,α){sup 14}N reaction plays a key role in many stellar sites, including classical novae and massive stars. Our knowledge of these scenarios might be improved by a precise measurement of the reaction’s cross-section at astrophysical energies. A direct attempt is currently underway in the Gran Sasso Laboratory, Italy, using the underground LUNA 400kV accelerator. The background reduction afforded by the underground environment is essential to the success of this challenging measurement. A purpose-built experimental setup has been simulated and commissioned. Preliminary results are presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Systematic approach of nanoparticle design to enhance the broadband plasmonic scattering effect

To overcome low conversion efficiency of thin film solar cells, using the localized surface plasmon effect caused by the interaction between the incident beam and metallic nanoparticles inserted in or on the absorbing layer can be a promising alternative to overcome the low efficiency problem. Detail shape and size of nanoparticles are directly related with the localized surface plasmon effect as well as optical properties; however, their detail shape and size are hard to be determined depending only on the theoretical or experimental approach. Therefore, the method focusing on defining structural boundaries would be a useful method for nano or microscale design to generate simple and clear shape. In this study, we adopted the structural optimization scheme based on the phase field method to determine the optimal shape of a silver (Ag) nanoparticle positioned on the upper surface of the absorbing layer. We carried out the design process for broadband wavelength to be taken into account and verified the plasmonic scattering effect enhancement in the absorbing layer by numerical simulations.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2014

Inequalities for quantum marginal problems with continuous variables

We consider a mixed continuous-variable bosonic quantum system and present inequalities which must be satisfied between principal values of the covariances of a complete set of observables of the whole system and the principal values of the covariances of a complete set of observables of a subsystem. We use several classical results for the proof: the Courant-Fischer-Weyl min-max theorem for Hermitian operators and its consequence, the Cauchy interlacing theorem, and prove their analogues in the symplectic setting. For the case of passive transformations of Gaussian mixed states we also prove that the obtained inequalities are, in a sense, the best possible. The obtained mathematical results are applied to the system of n uncorrelated thermal modes of the electromagnetic field. Finally, we present the results of numerical simulations of the problem, suggesting avenues of further research.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Improving the efficiency of configurational-bias Monte Carlo: A density-guided method for generating bending angle trials for linear and branched molecules

A new method has been developed to generate bending angle trials to improve the acceptance rate and the speed of configurational-bias Monte Carlo. Whereas traditionally the trial geometries are generated from a uniform distribution, in this method we attempt to use the exact probability density function so that each geometry generated is likely to be accepted. In actual practice, due to the complexity of this probability density function, a numerical representation of this distribution function would be required. This numerical table can be generated a priori from the distribution function. This method has been tested on a united-atom model of alkanes including propane, 2-methylpropane, and 2,2-dimethylpropane, that are good representatives of both linear and branched molecules. It has been shown from these test cases that reasonable approximations can be made especially for the highly branched molecules to reduce drastically the dimensionality and correspondingly the amount of the tabulated data that is needed to be stored. Despite these approximations, the dependencies between the various geometrical variables can be still well considered, as evident from a nearly perfect acceptance rate achieved. For all cases, the bending angles were shown to be sampled correctly by this method with an acceptance rate of at least 96% for 2,2-dimethylpropane to more than 99% for propane. Since only one trial is required to be generated for each bending angle (instead of thousands of trials required by the conventional algorithm), this method can dramatically reduce the simulation time. The profiling results of our Monte Carlo simulation code show that trial generation, which used to be the most time consuming process, is no longer the time dominating component of the simulation.

2-2-DIMETHYLPROPANE↗
DOE OSTI2015

Two-dimensional simulation research of secondary electron emission avalanche discharge on vacuum insulator surface

Based on the secondary electron emission avalanche (SEEA) model, the SEEA discharge on the vacuum insulator surface is simulated by using a 2D PIC-MCC code developed by ourselves. The evolutions of the number of discharge electrons, insulator surface charge, current, and 2D particle distribution are obtained. The effects of the strength of the applied electric field, secondary electron yield coefficient, rise time of the pulse, length of the insulator on the discharge are investigated. The results show that the number of the SEEA electrons presents a quadratic dependence upon the applied field strength. The SEEA current, which is on the order of Ampere, is directly proportional to the field strength and secondary electron yield coefficient. Finally, the electron-stimulated outgassing is included in the simulation code, and a three-phase discharge curve is presented by the simulation, which agrees with the experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗