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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

QCD as a topologically ordered system

We argue that QCD belongs to a topologically ordered phase similar to many well-known condensed matter systems with a gap such as topological insulators or superconductors. Our arguments are based on an analysis of the so-called “deformed QCD” which is a weakly coupled gauge theory, but nevertheless preserves all the crucial elements of strongly interacting QCD, including confinement, nontrivial θ dependence, degeneracy of the topological sectors, etc. Specifically, we construct the so-called topological “BF” action which reproduces the well known infrared features of the theory such as non-dispersive contribution to the topological susceptibility which cannot be associated with any propagating degrees of freedom. Furthermore, we interpret the well known resolution of the celebrated U(1){sub A} problem where the would be η{sup ′} Goldstone boson generates its mass as a result of mixing of the Goldstone field with a topological auxiliary field characterizing the system. We then identify the non-propagating auxiliary topological field of the BF formulation in deformed QCD with the Veneziano ghost (which plays the crucial role in resolution of the U(1){sub A} problem). Finally, we elaborate on relation between “string-net” condensation in topologically ordered condensed matter systems and long range coherent configurations, the “skeletons”, studied in QCD lattice simulations. -- Highlights: •QCD may belong to a topologically ordered phase similar to condensed matter (CM) systems. •We identify the non-propagating topological field in deformed QCD with the Veneziano ghost. •Relation between “string-net” condensates in CM systems and the “skeletons” in QCD lattice simulations is studied.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Combination of the pair density approximation and the Takahashi–Imada approximation for path integral Monte Carlo simulations

We construct an accurate imaginary time propagator for path integral Monte Carlo simulations for heterogeneous systems consisting of a mixture of atoms and molecules. We combine the pair density approximation, which is highly accurate but feasible only for the isotropic interactions between atoms, with the Takahashi–Imada approximation for general interactions. We present finite temperature simulations results for energy and structure of molecules–helium clusters X{sup 4}He{sub 20} (X=HCCH and LiH) which show a marked improvement over the Trotter approximation which has a 2nd-order time step bias. We show that the 4th-order corrections of the Takahashi–Imada approximation can also be applied perturbatively to a 2nd-order simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Rossby wave radiation by an eddy on a beta-plane: Experiments with laboratory altimetry

Results from the laboratory experiments on the evolution of vortices (eddies) generated in a rotating tank with topographic β-effect are presented. The focus of the experiments is on the far-field flow which contains Rossby waves emitted by travelling vortices. The surface elevation and velocity fields are measured by the altimetric imaging velocimetry. The experiments are supplemented by shallow water numerical simulations as well as a linear theory which describes the Rossby wave radiation by travelling vortices. The cyclonic vortices observed in the experiments travel to the northwest and continuously radiate Rossby waves. Measurements show that initially axisymmetric vortices develop a dipolar component which enables them to perform translational motion. A pattern of alternating zonal jets to the west of the vortex is created by Rossby waves with approximately zonal crests. Energy spectra of the flows in the wavenumber space indicate that a wavenumber similar to that introduced by Rhines for turbulent flows on the β-plane can be introduced here. The wavenumber is based on the translational speed of a vortex rather than on the root-mean-square velocity of a turbulent flow. The comparison between the experiments and numerical simulations demonstrates that evolving vortices also emit inertial waves. While these essentially three-dimensional non-hydrostatic waves can be observed in the altimetric data, they are not accounted for in the shallow water simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

SIMULATIONS OF THE SPATIAL AND TEMPORAL INVARIANCE IN THE SPECTRA OF GRADUAL SOLAR ENERGETIC PARTICLE EVENTS

The spatial and temporal invariance in the spectra of energetic particles in gradual solar events is reproduced in simulations. Based on a numerical solution of the focused transport equation, we obtain the intensity time profiles of solar energetic particles (SEPs) accelerated by an interplanetary shock in three-dimensional interplanetary space. The shock is treated as a moving source of energetic particles with a distribution function. The time profiles of particle fluxes with different energies are calculated in the ecliptic at 1 AU. According to our model, we find that shock acceleration strength, parallel diffusion, and adiabatic cooling are the main factors in forming the spatial invariance in SEP spectra, and perpendicular diffusion is a secondary factor. In addition, the temporal invariance in SEP spectra is mainly due to the effects of adiabatic cooling. Furthermore, a spectra invariant region, which agrees with observations but is different from the one suggested by Reames et al. is proposed based on our simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

From wires to cosmology

We provide a statistical framework for characterizing stochastic particle production in the early universe via a precise correspondence to current conduction in wires with impurities. Our approach is particularly useful when the microphysics is uncertain and the dynamics are complex, but only coarse-grained information is of interest. We study scenarios with multiple interacting fields and derive the evolution of the particle occupation numbers from a Fokker-Planck equation. At late times, the typical occupation numbers grow exponentially which is the analog of Anderson localization for disordered wires. Some statistical features of the occupation numbers show hints of universality in the limit of a large number of interactions and/or a large number of fields. For test cases, excellent agreement is found between our analytic results and numerical simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Anomalous structural evolution and √(3)×√(3) reconstruction of a clean Si(111) surface observed after thermal desorption of thallium

The authors have observed anomalous structural evolution of a clean Si(111) surface, which was prepared first by thallium (Tl) deposition on a Si(111)7 × 7 surface, leading to incomplete formation of a Tl/Si(111)1 × 1 structure at 300 °C and subsequent desorption of Tl at 350 °C. Thus prepared clean Si(111) surfaces exhibit structural changes with increase of temperature: 2×1→(√(3)×√(3))R30°→2×1→5×5→7×7, as observed by low-energy electron diffraction and scanning tunneling microscopy. Among the above structures, the (√(3)×√(3))R30° formed at 450–550 °C is found not to be a simple adatom structure. Instead, by means of ab-initio calculations a new metastable (√(3)×√(3))R30° reconstruction was found, having analogous structural features and formation origin to a 2 × 1 reconstruction known as the Pandey chain model. This new (√(3)×√(3))R30° model is 0.09 eV per surface atom less favorable than the 2 × 1 reconstruction. A reason for the anomalous occurrence of the (√(3)×√(3))R30° structure is explored with an aid of Monte Carlo simulations.

42 ENGINEERING↗
DOE OSTI2014

Poster — Thur Eve — 53: Novel Technique for the Measurement of Ultra-Superficial Doses Using Gafchromic Film

Purpose: Dose build-up and electron contamination are two closely related quantities with important implications in radiotherapy, yet they are quite difficult to measure with great certainty. We present a novel technique for measuring ultra-superficial doses. Method and Materials: We used Gafchromic EBT-3 film which have an effective point of measurement of roughly 153 micros (effective depth in water). By peeling off one of the polyester layers, the active layer becomes the top layer and we obtain a film with a effective point of measurement of 15 microns (effective depth in water). A film calibration was performed using a 180 kVp orthovoltage beam. Since the active layer of the film may have been compressed or perturbed during the peeling of clear polyester we use a triple-channel film calibration technique to minimize the effects of non-uniformity in the active layer. We measured surface doses of orthovoltage beams with lead cutouts in place to introduce contaminant photoelectrons. Results: Our measurements show that the dose enhancement near the edges of the lead were about 125% relative to central axis for 6 cm diameter cutouts up to 170% for 2 cm diameter cutouts, which were within 5% of our EGSnrc based Monte Carlo simulations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-T-546: Modeling and Validation of the a New Proton Therapy System Using a Monte-Carlo Environment Optimized for Protons

8 particle histories were run. Results: Range measurements of the Monte-Carlo simulations matched the measured data within 1mm. Distal fall-off of the simulated fields matched within <1mm. Lateral penumbra and field size measurements of the standard-sized square and half-beam blocked fields matched within 1mm at all three planes compared. A small difference was seen in the in-air profiles at doses <0%. The suspected cause of the difference was the aperture shape. The measured data utilized a divergent aperture. The Monte-Carlo calculation used a non-divergent aperture. Conclusion: The validation measurements indicate that we were able to accurately model the MEVION s250 Proton therapy system using Monte-Carlo Calculations. This may reduce the commissioning time for future users. Purpose: Monte-Carlo modeling is an important tool for understanding the behavior of therapeutic proton beams in a heterogeneous media such as the patient. To gain confidence that a Monte-Carlo model is accurate in complex geometries and media, it must first be compared with measurement in simple situations. This study documents the validation of our Monte-Carlo Model. Methods: A model of the MEVION s250 Proton therapy system was created in the TOPAS Monte-Carlo environment using machine geometry and field shaping system information provided by the vendor. For each of 24 options, validation of the TOPAS model was performed by comparing the dose scored by TOPAS to the dose measurements obtained during the commissioning of the treatment planning system. The measurements compared consisted of: pristine peak depth-dose profiles, in-air profiles for a standard-sized square field (20cm×20cm or 10cm×10cm depending on the maximum field size for each option) at isocenter and at 20cm upstream and downstream of isocenter, and in-air profiles with a half-beam blocked aperture at isocenter and at 20cm upstream and downstream of isocenter. For all Monte-Carlo simulations,.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2013

Nonlinear extraordinary wave in dense plasma

Conditions for the propagation of a slow extraordinary wave in dense magnetized plasma are found. A solution to the set of relativistic hydrodynamic equations and Maxwell’s equations under the plasma resonance conditions, when the phase velocity of the nonlinear wave is equal to the speed of light, is obtained. The deviation of the wave frequency from the resonance frequency is accompanied by nonlinear longitudinal-transverse oscillations. It is shown that, in this case, the solution to the set of self-consistent equations obtained by averaging the initial equations over the period of high-frequency oscillations has the form of an envelope soliton. The possibility of excitation of a nonlinear wave in plasma by an external electromagnetic pulse is confirmed by numerical simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Dynamics of a high-current relativistic electron beam

The dynamics of a high-current relativistic electron beam is studied experimentally and by numerical simulation. The beam is formed in a magnetically insulated diode with a transverse-blade explosive-emission cathode. It is found experimentally that the radius of a 500-keV beam with a current of 2 kA and duration of 500 ns decreases with time during the beam current pulse. The same effect was observed in numerical simulations. This effect is explained by a change in the shape of the cathode plasma during the current pulse, which, according to calculations, leads to a change in the beam parameters, such as the electron pitch angle and the spread over the longitudinal electron momentum. These parameters are hard to measure experimentally; however, the time evolution of the radial profile of the beam current density, which can be measured reliably, coincides with the simulation results. This allows one to expect that the behavior of the other beam parameters also agrees with numerical simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

ON IMPROVING ANALYTICAL MODELS OF COSMIC REIONIZATION FOR MATCHING NUMERICAL SIMULATION

The methods for studying the epoch of cosmic reionization vary from full radiative transfer simulations to purely analytical models. While numerical approaches are computationally expensive and are not suitable for generating many mock catalogs, analytical methods are based on assumptions and approximations. We explore the interconnection between both methods. First, we ask how the analytical framework of excursion set formalism can be used for statistical analysis of numerical simulations and visual representation of the morphology of ionization fronts. Second, we explore the methods of training the analytical model on a given numerical simulation. We present a new code which emerged from this study. Its main application is to match the analytical model with a numerical simulation. Then, it allows one to generate mock reionization catalogs with volumes exceeding the original simulation quickly and computationally inexpensively, meanwhile reproducing large-scale statistical properties. These mock catalogs are particularly useful for cosmic microwave background polarization and 21 cm experiments, where large volumes are required to simulate the observed signal.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Closed-form solutions of Lucas–Uzawa model with externalities via partial Hamiltonian approach

In this paper, we establish multiple closed-form solutions for all the variables in the Lucas–Uzawa model with externalities for the case with no parameter restrictions as well as for cases with specific parameter restrictions. These multiple solutions are derived with the help of the results derived in Naz et al. (Commun Nonlinear Sci Numer Simul 30(1):299–306, 2016) and Naz and Chaudhry (Math Modell Anal 22(4):464–483, 2017). This multiplicity of solutions is new to the economic growth literature on Lucas–Uzawa model with externalities. After finding solutions for the Lucas–Uzawa model with externalities, we use these solutions to derive the growth rates of all the variables in the system which enables us to fully describe the dynamics of the model. The multiple solutions can potentially explain why some countries economically overtake other countries even though they start from the same initial conditions. We have provided results of the numerical simulations procedure for σ=β.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

A fast mollified impulse method for biomolecular atomistic simulations

Classical integration methods for molecular dynamics are inherently limited due to resonance phenomena occurring at certain time-step sizes. The mollified impulse method can partially avoid this problem by using appropriate filters based on averaging or projection techniques. However, existing filters are computationally expensive and tedious in implementation since they require either analytical Hessians or they need to solve nonlinear systems from constraints. In this work we follow a different approach based on corotation for the construction of a new filter for (flexible) biomolecular simulations. The main advantages of the proposed filter are its excellent stability properties and ease of implementation in standard softwares without Hessians or solving constraint systems. By simulating multiple realistic examples such as peptide, protein, ice equilibrium and ice–ice friction, the new filter is shown to speed up the computations of long-range interactions by approximately 20%. The proposed filtered integrators allow step sizes as large as 10 fs while keeping the energy drift less than 1% on a 50 ps simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

First principles studies of proton conduction in KTaO{sub 3}

KTaO{sub 3} (KTO) is a useful prototypical perovskite for examining the mechanisms of proton transport in perovskites. Previously, Gomez et al. [J. Chem. Phys. 126, 194701 (2007)] reported density functional theory (DFT) calculations describing proton hopping in defect-free KTO. We use DFT calculations to extend that work in two directions, namely, understanding isotope effects in low and high temperature proton transport and the role of native point defects in KTO. At cryogenic temperatures, quantum tunneling plays a vital role in the net hopping of protons in KTO. At the elevated temperature characteristic of applications involving proton-conducting perovskites, tunneling is negligible but zero point energy effects still lead to non-negligible isotope effects for H{sup +}, D{sup +}, and T{sup +}. We also use DFT to characterize the populations of relevant point defects in KTO as a function of experimental conditions, and to examine the migration of protons that are close in proximity to these defects. This information gives useful insight into the overall transport rates of protons through KTO under a variety of external environments. We also assess the overall diffusivity of protons in KTO at various ranges of oxygen vacancy concentrations by performing kinetic Monte Carlo simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Relativistic modeling capabilities in PERSEUS extended MHD simulation code for HED plasmas

We discuss the incorporation of relativistic modeling capabilities into the PERSEUS extended MHD simulation code for high-energy-density (HED) plasmas, and present the latest hybrid X-pinch simulation results. The use of fully relativistic equations enables the model to remain self-consistent in simulations of such relativistic phenomena as X-pinches and laser-plasma interactions. By suitable formulation of the relativistic generalized Ohm’s law as an evolution equation, we have reduced the recovery of primitive variables, a major technical challenge in relativistic codes, to a straightforward algebraic computation. Our code recovers expected results in the non-relativistic limit, and reveals new physics in the modeling of electron beam acceleration following an X-pinch. Through the use of a relaxation scheme, relativistic PERSEUS is able to handle nine orders of magnitude in density variation, making it the first fluid code, to our knowledge, that can simulate relativistic HED plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Exchange interaction effects on waves in magnetized quantum plasmas

We have applied the many-particle quantum hydrodynamics that includes the Coulomb exchange interaction to magnetized quantum plasmas. We considered a number of wave phenomena that are affected by the Coulomb exchange interaction. Since the Coulomb exchange interaction affects the longitudinal and transverse-longitudinal waves, we focused our attention on the Langmuir waves, the Trivelpiece-Gould waves, the ion-acoustic waves in non-isothermal magnetized plasmas, the dispersion of the longitudinal low-frequency ion-acoustic waves, and low-frequency electromagnetic waves at T{sub e} ≫ T{sub i}. We have studied the dispersion of these waves and present the numeric simulation of their dispersion properties.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗