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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Extensive gene content variation in the Brachypodium distachyon pan-genome correlates with population structure

While prokaryotic pan-genomes have been shown to contain many more genes than any individual organism, the prevalence and functional significance of differentially present genes in eukaryotes remains poorly understood. Whole-genome de novo assembly and annotation of 54 lines of the grass Brachypodium distachyon yield a pan-genome containing nearly twice the number of genes found in any individual genome. Genes present in all lines are enriched for essential biological functions, while genes present in only some lines are enriched for conditionally beneficial functions (e.g., defense and development), display faster evolutionary rates, lie closer to transposable elements and are less likely to be syntenic with orthologous genes in other grasses. Our data suggest that differentially present genes contribute substantially to phenotypic variation within a eukaryote species, these genes have a major influence in population genetics, and transposable elements play a key role in pan-genome evolution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Variational quantum eigensolver with reduced circuit complexity

Abstract The variational quantum eigensolver (VQE) is one of the most promising algorithms to find eigenstates of a given Hamiltonian on noisy intermediate-scale quantum devices (NISQ). The practical realization is limited by the complexity of quantum circuits. Here we present an approach to reduce quantum circuit complexity in VQE for electronic structure calculations. Our ClusterVQE algorithm splits the initial qubit space into clusters which are further distributed on individual (shallower) quantum circuits. The clusters are obtained based on mutual information reflecting maximal entanglement between qubits, whereas inter-cluster correlation is taken into account via a new “dressed” Hamiltonian. ClusterVQE therefore allows exact simulation of the problem by using fewer qubits and shallower circuit depth at the cost of additional classical resources, making it a potential leader for quantum chemistry simulations on NISQ devices. Proof-of-principle demonstrations are presented for several molecular systems based on quantum simulators as well as IBM quantum devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Radiation Fluence dependent variation in Electrical conductivity of Cu nanowires

Electrical conductivity of Cu nanowires varies with diameter of nanowires. However, keeping the diameter of nanowires constant, a variation in their electrical conductivity is observed after they irradiated with gamma rays and neutrons. On the basis of I-V characteristics drawn at room temperature, decrease in the conductivity of Cu nanowires is observed, as compared to that of pristine nanowires.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

The effect of dust charge variation, due to ion flow and electron depletion, on dust levitation

Using a fluid model, the plasma densities, electron temperature and ion Mach number in front of a powered electrode in different plasma discharges is computed. The dust charge is computed using OML theory for Maxwellian electrons and ions distributed according to a shifted-Maxwellian. By assuming force balance between gravity and the electrostatic force, the dust levitation height is obtained. The importance of the dust charge variation is investigated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Geometric integration of the Vlasov-Maxwell system with a variational particle-in-cell scheme

A fully variational, unstructured, electromagnetic particle-in-cell integrator is developed for integration of the Vlasov-Maxwell equations. Using the formalism of discrete exterior calculus [Desbrun et al., e-print arXiv:math/0508341 (2005)], the field solver, interpolation scheme, and particle advance algorithm are derived through minimization of a single discrete field theory action. As a consequence of ensuring that the action is invariant under discrete electromagnetic gauge transformations, the integrator exactly conserves Gauss's law.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Large eddy simulation models for incompressible magnetohydrodynamics derived from the variational multiscale formulation

Novel large eddy simulation (LES) models are developed for incompressible magnetohydrodynamics (MHD). These models include the application of the variational multiscale formulation of LES to the equations of incompressible MHD. Additionally, a new residual-based eddy viscosity model is introduced for MHD. A mixed LES model that combines the strengths of both of these models is also derived. The new models result in a consistent numerical method that is relatively simple to implement. The need for a dynamic procedure in determining model coefficients is no longer required. The new LES models are tested on a decaying Taylor-Green vortex generalized to MHD and benchmarked against classical LES turbulence models. The LES simulations are run in a periodic box of size [-{pi}, {pi}]{sup 3} with 32 modes in each direction and are compared to a direct numerical simulation (DNS) with 512 modes in each direction. The new models are able to account for the essential MHD physics which is demonstrated via comparisons of energy spectra. We also compare the performance of our models to a DNS simulation by Pouquet et al.['The dynamics of unforced turbulence at high Reynolds number for Taylor-Green vortices generalized to MHD,' Geophys. Astrophys. Fluid Dyn. 104, 115-134 (2010)], for which the ratio of DNS modes to LES modes is 262:144.

42 ENGINEERING↗
DOE OSTI2012

Cluster variational method for nuclear matter with the three-body force

We report the current status of our project to construct a new nuclear equation of state (EOS), which may be used for supernova numerical simulations, based on the cluster variational method starting from the realistic nuclear Hamiltonian. We also take into account a higher-order correction to the energy of the nuclear three-body force (TBF). The nuclear EOSs with and without the higher-order TBF correction at zero temperature are very close to each other, when parameters are readjusted so as to reproduce the empirical saturation data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Constraint analysis for variational discrete systems

A canonical formalism and constraint analysis for discrete systems subject to a variational action principle are devised. The formalism is equivalent to the covariant formulation, encompasses global and local discrete time evolution moves and naturally incorporates both constant and evolving phase spaces, the latter of which is necessary for a time varying discretization. The different roles of constraints in the discrete and the conditions under which they are first or second class and/or symmetry generators are clarified. The (non-) preservation of constraints and the symplectic structure is discussed; on evolving phase spaces the number of constraints at a fixed time step depends on the initial and final time step of evolution. Moreover, the definition of observables and a reduced phase space is provided; again, on evolving phase spaces the notion of an observable as a propagating degree of freedom requires specification of an initial and final step and crucially depends on this choice, in contrast to the continuum. However, upon restriction to translation invariant systems, one regains the usual time step independence of canonical concepts. This analysis applies, e.g., to discrete mechanics, lattice field theory, quantum gravity models, and numerical analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Anisotropic parameter estimation using velocity variation with offset analysis

Seismic anisotropy is defined as velocity dependent upon angle or offset. Knowledge about anisotropy effect on seismic data is important in amplitude analysis, stacking process and time to depth conversion. Due to this anisotropic effect, reflector can not be flattened using single velocity based on hyperbolic moveout equation. Therefore, after normal moveout correction, there will still be residual moveout that relates to velocity information. This research aims to obtain anisotropic parameters, ε and δ, using two proposed methods. The first method is called velocity variation with offset (VVO) which is based on simplification of weak anisotropy equation. In VVO method, velocity at each offset is calculated and plotted to obtain vertical velocity and parameter δ. The second method is inversion method using linear approach where vertical velocity, δ, and ε is estimated simultaneously. Both methods are tested on synthetic models using ray-tracing forward modelling. Results show that δ value can be estimated appropriately using both methods. Meanwhile, inversion based method give better estimation for obtaining ε value. This study shows that estimation on anisotropic parameters rely on the accuracy of normal moveout velocity, residual moveout and offset to angle transformation.

58 GEOSCIENCES↗
DOE OSTI2013

A variational multi-symplectic particle-in-cell algorithm with smoothing functions for the Vlasov-Maxwell system

Smoothing functions are commonly used to reduce numerical noise arising from coarse sampling of particles in particle-in-cell (PIC) plasma simulations. When applying smoothing functions to symplectic algorithms, the conservation of symplectic structure should be guaranteed to preserve good conservation properties. In this paper, we show how to construct a variational multi-symplectic PIC algorithm with smoothing functions for the Vlasov-Maxwell system. The conservation of the multi-symplectic structure and the reduction of numerical noise make this algorithm specifically suitable for simulating long-term dynamics of plasmas, such as those in the steady-state operation or long-pulse discharge of a super-conducting tokamak. The algorithm has been implemented in a 6D large scale PIC code. Numerical examples are given to demonstrate the good conservation properties of the multi-symplectic algorithm and the reduction of the noise due to the application of smoothing function.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Variation of lattice constant and cluster formation in GaAsBi

We investigate the structural properties of GaAsBi layers grown by molecular beam epitaxy on GaAs at substrate temperatures between 220–315 °C. Irrespective of the growth temperature, the structures exhibited similar Bi compositions, and good overall crystal quality as deduced from X-Ray diffraction measurements. After thermal annealing at temperatures as low as 500 °C, the GaAsBi layers grown at the lowest temperatures exhibited a significant reduction of the lattice constant. The lattice variation was significantly larger for Bi-containing samples than for Bi-free low-temperature GaAs samples grown as a reference. Rutherford backscattering spectrometry gave no evidence of Bi diffusing out of the layer during annealing. However, dark-field and Z-contrast transmission electron microscopy analyses revealed the formation of GaAsBi clusters with a Bi content higher than in the surrounding matrix, as well as the presence of metallic As clusters. The apparent reduction of the lattice constant can be explained by a two-fold process: the diffusion of the excess As incorporated within As{sub Ga} antisites to As clusters, and the reduction of the Bi content in the GaAs matrix due to diffusion of Bi to GaAsBi clusters. Diffusion of both As and Bi are believed to be assisted by the native point defects, which are present in the low-temperature as-grown material.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Reduced dimension rovibrational variational calculations of the S{sub 1} state of C{sub 2}H{sub 2}. I. Methodology and implementation

The bending and torsional degrees of freedom in S{sub 1} acetylene, C{sub 2}H{sub 2}, are subject to strong vibrational resonances and rovibrational interactions, which create complex vibrational polyad structures even at low energy. As the internal energy approaches that of the barrier to cis-trans isomerization, these energy level patterns undergo further large-scale reorganization that cannot be satisfactorily treated by traditional models tied to local minima of the potential energy surface for nuclear motion. Experimental spectra in the region near the cis-trans transition state have revealed these complicated new patterns. In order to understand near-barrier spectroscopic observations and to predict the detailed effects of cis-trans isomerization on the rovibrational energy level structure, we have performed reduced dimension rovibrational variational calculations of the S{sub 1} state. In this paper, we present the methodological details, several of which require special care. Our calculation uses a high accuracy ab initio potential surface and a fully symmetrized extended complete nuclear permutation inversion group theoretical treatment of a multivalued internal coordinate system that is appropriate for large amplitude bending and torsional motions. We also discuss the details of the rovibrational basis functions and their symmetrization, as well as the use of a constrained reduced dimension rovibrational kinetic energy operator.

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

Statistical analysis of variations in impurity ion heating at reconnection events in the Madison Symmetric Torus

The connection between impurity ion heating and other physical processes in the plasma is evaluated by studying variations in the amount of ion heating at reconnection events in the Madison Symmetric Torus (MST). Correlation of the change in ion temperature with individual tearing mode amplitudes indicates that the edge-resonant modes are better predictors for the amount of global ion heating than the core-resonant modes. There is also a strong correlation between ion heating and current profile relaxation. Simultaneous measurements of the ion temperature at different toroidal locations reveal, for the first time, a toroidal asymmetry to the ion heating in MST. These results present challenges for existing heating theories and suggest a stronger connection between edge-resonant tearing modes, current profile relaxation, and ion heating than has been previously thought.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Trend of tunnel magnetoresistance and variation in threshold voltage for keeping data load robustness of metal–oxide–semiconductor/magnetic tunnel junction hybrid latches

The robustness of data load of metal–oxide–semiconductor/magnetic tunnel junction (MOS/MTJ) hybrid latches at power-on is examined by using Monte Carlo simulation with the variations in magnetoresistances for MTJs and in threshold voltages for MOSFETs involved in 90 nm technology node. Three differential pair type spin-transfer-torque-magnetic random access memory cells (4T2MTJ, 6T2MTJ, and 8T2MTJ) are compared for their successful data load at power-on. It is found that the 4T2MTJ cell has the largest pass area in the shmoo plot in TMR ratio (tunnel magnetoresistance ratio) and V{sub dd} in which a whole 256 kb cell array can be powered-on successfully. The minimum TMR ratio for the 4T2MTJ in 0.9 V < V{sub dd} < 1.9 V is 140%, while the 6T2MTJ and the 8T2MTJ cells require TMR ratio larger than 170%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Influence of graphene on quality factor variation in a silicon ring resonator

Selectively patterned graphene is integrated onto a silicon ring resonator to investigate the quality factor (Q factor) variation. The Q factor sharply decreases from 7900 to 1200 as the patterned graphene length increases from 0 to 20 μm. A numerical estimation, which takes into account optical absorption by graphene, shows an exponential damping of the Q factor with increasing graphene length and is consistent with the experimental result. We expect these fundamental characterizations to be helpful in developing graphene-integrated silicon photonics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

A multiscale variational approach to the kinetics of viscous classical liquids: The coarse-grained mean field approximation

A closed kinetic equation for the single-particle density of a viscous simple liquid is derived using a variational method for the Liouville equation and a coarse-grained mean-field (CGMF) ansatz. The CGMF ansatz is based on the notion that during the characteristic time of deformation a given particle interacts with many others so that it experiences an average interaction. A trial function for the N-particle probability density is constructed using a multiscale perturbation method and the CGMF ansatz is applied to it. The multiscale perturbation scheme is based on the ratio of the average nearest-neighbor atom distance to the total size of the assembly. A constraint on the initial condition is discovered which guarantees that the kinetic equation is mass-conserving and closed in the single-particle density. The kinetic equation has much of the character of the Vlasov equation except that true viscous, and not Landau, damping is accounted for. The theory captures condensation kinetics and takes much of the character of the Gross-Pitaevskii equation in the weak-gradient short-range force limit.

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

Variational formulation of macro-particle plasma simulation algorithms

A variation formulation of macro-particle kinetic plasma models is discussed. In the electrostatic case, the use of symplectic integrators is investigated and found to offer advantages over typical generic methods. For the electromagnetic case, gauge invariance and momentum conservation are considered in detail. It is shown that, while the symmetries responsible for these conservation laws are broken in the presence of a spatial grid, the conservation laws hold in an average sense. The requirements for exact invariance are explored and it is shown that one viable option is to represent the potentials with a truncated Fourier basis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Theory on excitations of drift Alfvén waves by energetic particles. I. Variational formulation

A unified theoretical framework is presented for analyzing various branches of drift Alfvén waves and describing their linear and nonlinear behaviors, covering a wide range of spatial and temporal scales. Nonlinear gyrokinetic quasineutrality condition and vorticity equation, derived for drift Alfvén waves excited by energetic particles in fusion plasmas, are cast in integral form, which is generally variational in the linear limit; and the corresponding gyrokinetic energy principle is obtained. Well known forms of the kinetic energy principle are readily recovered from this general formulation. Furthermore, it is possible to demonstrate that the general fishbone like dispersion relation, obtained within the present theoretical framework, provides a unified description of drift Alfvén waves excited by energetic particles as either Alfvén eigenmodes or energetic particle modes. The advantage of the present approach stands in its capability of extracting underlying linear and nonlinear physics as well as spatial and temporal scales of the considered fluctuation spectrum. For these reasons, this unified theoretical framework can help understanding experimental observations as well as numerical simulation and analytic results with different levels of approximation. Examples and applications are given in Paper II [F. Zonca and L. Chen, “Theory on excitations of drift Alfvén waves by energetic particles. II. The general fishbone-like dispersion relation,” Phys. Plasmas 21, 072121 (2014)].

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗