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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Generalized quantum Fokker-Planck equation for photoinduced nonequilibrium processes with positive definiteness condition

This work provides a detailed derivation of a generalized quantum Fokker-Planck equation (GQFPE) appropriate for photo-induced quantum dynamical processes. The path integral method pioneered by Caldeira and Leggett (CL) [Physica A 121, 587 (1983)] is extended by utilizing a nonequilibrium influence functional applicable to different baths for the ground and the excited electronic states. Both nonequilibrium and non-Markovian effects are accounted for consistently by expanding the paths in the exponents of the influence functional up to the second order with respect to time. This procedure results in approximations involving only single time integrations for the exponents of the influence functional but with additional time dependent boundary terms that have been ignored in previous works. The boundary terms complicate the derivation of a time evolution equation but do not affect position dependent physical observables or the dynamics in the steady state limit. For an effective density operator with the boundary terms factored out, a time evolution equation is derived, through short time expansion of the effective action and Gaussian integration in analytically continued complex domain of space. This leads to a compact form of the GQFPE with time dependent kernels and additional terms, which renders the resulting equation to be in the Dekker form [Phys. Rep. 80, 1 (1981)]. Major terms of the equation are analyzed for the case of Ohmic spectral density with Drude cutoff, which shows that the new GQFPE satisfies the positive definiteness condition in medium to high temperature limit. Steady state limit of the GQFPE is shown to approach the well-known expression derived by CL in the high temperature and Markovian bath limit and also provides additional corrections due to quantum and non-Markovian effects of the bath.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

Effects of Nonuniform Beam Filling on Rainfall Retrieval for the TRMM Precipitation Radar

The Tropical Rainfall Measuring Mission (TRMM) will carry the first spaceborne radar for rainfall observation. Because the TRMM Precipitation Radar (PR) footprint size of 4.3 km is greater than the scale of some convective rainfall events, there is concern that nonuniform filling of the PR antenna beam may bias the retrieved rain-rate profile. The authors investigate this effect theoretically and then observationally using data from the NASA Jet Propulsion Laboratory Airborne Rain Mapping Radar (ARMAR), acquired during Tropical Oceans Global Atmosphere Coupled Ocean Atmosphere Response Experiment in early 1993. The authors' observational approach is to simulate TRMM PR data using the ARMAR data and compare the radar observables and retrieved rain rate from the simulated PR data with those corresponding to the high-resolution radar measurements. The authors find that the path-integrated attenuation and the resulting path-averaged rain rate are underestimated. The reflectivity and rain rate near the top of the rainfall column are overestimated. The near-surface reflectivity can be overestimated or underestimated, with a mean error very close to zero. The near-surface rain rate, however, is usually underestimated, sometimes severely.

Durden, Stephen L.↗
DOE OSTI2019

Hub and spoke system for detecting and locating gas leaks

A system for detecting gas leaks and determining their location and size. A data gathering portion of the system utilizes a hub and spoke configuration to collect path-integrated spectroscopic data over multiple open paths around an area. A processing portion of the system applies a high resolution transport model together with meteorological data of the area to generate an influence function of possible leak locations on gas detector measurement paths, and applies an inversion model to the influence function and the spectroscopic data to generate gas source size and location.

03 NATURAL GAS↗
DOE OSTI2019

Hub and spoke system for detecting and locating gas leaks

A system for detecting gas leaks and determining their location and size. A data gathering portion of the system utilizes a hub and spoke configuration to collect path-integrated spectroscopic data over multiple open paths around an area. A processing portion of the system applies a high-resolution transport model together with meteorological data of the area to generate an influence function of possible leak locations on gas detector measurement paths, and applies an inversion model to the influence function and the spectroscopic data to generate gas source size and location.

03 NATURAL GAS↗
DOE OSTI2015

Shape invariant potentials in higher dimensions

In this paper we investigate the shape invariance property of a potential in one dimension. We show that a simple ansatz allows us to reconstruct all the known shape invariant potentials in one dimension. This ansatz can be easily extended to arrive at a large class of new shape invariant potentials in arbitrary dimensions. A reformulation of the shape invariance property and possible generalizations are proposed. These may lead to an important extension of the shape invariance property to Hamiltonians that are related to standard potential problems via space time transformations, which are found useful in path integral formulation of quantum mechanics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Dynamic mapping of conical intersection seams: A general method for incorporating the geometric phase in adiabatic dynamics in polyatomic systems

The incorporation of the geometric phase in single-state adiabatic dynamics near a conical intersection (CI) seam has so far been restricted to molecular systems with high symmetry or simple model Hamiltonians. This is due to the fact that the ab initio determined derivative coupling (DC) in a multi-dimensional space is not curl-free, thus making its line integral path dependent. In a recent work [C. L. Malbon et al. , J. Chem. Phys. 145, 234111 (2016)], we proposed a new and general approach based on an ab initio determined diabatic representation consisting of only two electronic states, in which the DC is completely removable, so that its line integral is path independent in the simply connected domains that exclude the CI seam. Then with the CIs included, the line integral of the single-valued DC can be used to construct the complex geometry-dependent phase needed to exactly eliminate the double-valued character of the real-valued adiabatic electronic wavefunction. This geometry-dependent phase gives rise to a vector potential which, when included in the adiabatic representation, rigorously accounts for the geometric phase in a system with an arbitrary locus of the CI seam and an arbitrary number of internal coordinates. Here, we demonstrate this approach in a three-dimensional treatment of the tunneling facilitated dissociation of the S 1 state of phenol, which is affected by a C s symmetry allowed but otherwise accidental seam of CI. Here, since the space is three-dimensional rather than two-dimensional, the seam is a curve rather than a point. The nodal structure of the ground state vibronic wavefunction is shown to map out the seam of CI.

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

Geometry of quantum Hall states: Gravitational anomaly and transport coefficients

We show that universal transport coefficients of the fractional quantum Hall effect (FQHE) can be understood as a response to variations of spatial geometry. Some transport properties are essentially governed by the gravitational anomaly. We develop a general method to compute correlation functions of FQH states in a curved space, where local transformation properties of these states are examined through local geometric variations. We introduce the notion of a generating functional and relate it to geometric invariant functionals recently studied in geometry. We develop two complementary methods to study the geometry of the FQHE. One method is based on iterating a Ward identity, while the other is based on a field theoretical formulation of the FQHE through a path integral formalism.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Quantum dynamics at finite temperature: Time-dependent quantum Monte Carlo study

In this work we investigate the ground state and the dissipative quantum dynamics of interacting charged particles in an external potential at finite temperature. The recently devised time-dependent quantum Monte Carlo (TDQMC) method allows a self-consistent treatment of the system of particles together with bath oscillators first for imaginary-time propagation of Schrödinger type of equations where both the system and the bath converge to their finite temperature ground state, and next for real time calculation where the dissipative dynamics is demonstrated. In that context the application of TDQMC appears as promising alternative to the path-integral related techniques where the real time propagation can be a challenge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

On classical and semiclassical properties of the Liouville theory with defects

The Lagrangian of the Liouville theory with topological defects is analyzed in detail and general solution of the corresponding defect equations of motion is found. We study the heavy and light semiclassical limits of the defect two-point function found before via the bootstrap program. We show that the heavy asymptotic limit is given by the exponential of the Liouville action with defects, evaluated on the solutions with two singular points. We demonstrate that the light asymptotic limit is given by the finite-dimensional path integral over solutions of the defect equations of motion with a vanishing energy–momentum tensor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

2D Dilute Bose Mixture at Low Temperatures

The thermodynamic and superfluid properties of the dilute two-dimensional binary Bose mixture at low temperatures are discussed. We also considered the problem of the emergence of the long-range order in these systems. All calculations are performed by means of the celebrated Popov path-integral approach to the Bose gas with a short-range interparticle potential.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Boson–fermion duality in a gravitational background

We study the 2+1 dimensional boson–fermion duality in the presence of background curvature and electromagnetic fields. The main players are, on the one hand, a massive complex |ϕ|{sup 4} scalar field coupled to a U(1) Maxwell–Chern–Simons gauge field at level 1, representing a relativistic composite boson with one unit of attached flux, and on the other hand, a massive Dirac fermion. We show that, in a curved background and at the level of the partition function, the relativistic composite boson, in the infinite coupling limit, is dual to a short-range interacting Dirac fermion. The coupling to the gravitational spin connection arises naturally from the spin factors of the Wilson loop in the Chern–Simons theory. A non-minimal coupling to the scalar curvature is included on the bosonic side in order to obtain agreement between partition functions. Although an explicit Lagrangian expression for the fermionic interactions is not obtained, their short-range nature constrains them to be irrelevant, which protects the duality in its strong interpretation as an exact mapping at the IR fixed point between a Wilson–Fisher–Chern–Simons complex scalar and a free Dirac fermion. We also show that, even away from the IR, keeping the |ϕ|{sup 4} term is of key importance as it provides the short-range bosonic interactions necessary to prevent intersections of worldlines in the path integral, thus forbidding unknotting of knots and ensuring preservation of the worldline topologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Effective long wavelength scalar dynamics in de Sitter

We discuss the effective infrared theory governing a light scalar's long wavelength dynamics in de Sitter spacetime. We show how the separation of scales around the physical curvature radius k / a ∼ H can be performed consistently with a window function and how short wavelengths can be integrated out in the Schwinger-Keldysh path integral formalism. At leading order, and for time scales Δ t >> H {sup −1}, this results in the well-known Starobinsky stochastic evolution. However, our approach allows for the computation of quantum UV corrections, generating an effective potential on which the stochastic dynamics takes place. The long wavelength stochastic dynamical equations are now second order in time, incorporating temporal scales Δ t ∼ H {sup −1} and resulting in a Kramers equation for the probability distribution—more precisely the Wigner function—in contrast to the more usual Fokker-Planck equation. This feature allows us to non-perturbatively evaluate, within the stochastic formalism, not only expectation values of field correlators, but also the stress-energy tensor of φ.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Effective action approach for preheating

Abstract We present a semiclassical non-perturbative approach for calculating the preheating process at the end of inflation. Our method involves integrating out the decayed particles within the path integral framework and subsequently determining world-line instanton solutions in the effective action. This enables us to obtain the effective action of the inflaton, with its imaginary part linked to the phenomenon of particle creation driven by coherent inflaton field oscillations. Additionally, we utilize the Bogoliubov transformation to investigate the evolution of particle density within the medium after multiple inflaton oscillations. We apply our approach to various final state particles, including scalar fields, tachyonic fields, and gauge fields. The non-perturbative approach provides analytical results for preheating that are in accord with previous methods.

Astronomy & Astrophysics↗
DOE OSTI2025

An Integral-based Technique to Accelerate the Monte Carlo Radiative Transfer Computation for Supernovae

We present an integral-based technique (IBT) algorithm to accelerate supernova (SN) radiative transfer calculations. The algorithm utilizes “integral packets,” which are calculated by the path integral of the Monte Carlo (MC) energy packets, to synthesize the observed spectropolarimetric signal at a given viewing direction in a 3D time-dependent radiative transfer program. Compared to the event-based technique (EBT) proposed by M. Bulla et al., our algorithm significantly reduces the computation time and increases the MC signal-to-noise ratio (S/N). Using a 1D spherical symmetric Type Ia SN ejecta model DDC10 and its derived 3D model, the IBT algorithm has successfully passed the verification of spherical symmetry and cross comparison on a 3D SN model with the direct-counting technique and EBT. Notably, with our algorithm implemented in the 3D MC radiative transfer code SEDONA, the computation time is faster than EBT by a factor of 10−30, and the S/N is better by a factor of 1.5−3, with the same number of MC quanta.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Angular width of the Cherenkov radiation with inclusion of multiple scattering

Visible Cherenkov radiation can offer a method of the measurement of the velocity of charged particles. The angular width of the radiation is important since it determines the resolution of the velocity measurement. In this article, the angular width of Cherenkov radiation with inclusion of multiple scattering is calculated through the path-integral method, and the analytical expressions are presented. The condition that multiple scattering processes dominate the angular distribution is obtained.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods

The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious approximations. Even though recent developments have significantly reduced the overhead for modeling the quantum nature of the nuclei, the cost is still prohibitive when combined with advanced electronic structure methods. Here we present how multiple time step integrators can be combined with ring-polymer contraction techniques (effectively, multiple time stepping in imaginary time) to reduce virtually to zero the overhead of modelling nuclear quantum effects, while describing inter-atomic forces at high levels of electronic structure theory. This is demonstrated for a combination of MP2 and semi-local DFT applied to the Zundel cation. The approach can be seamlessly combined with other methods to reduce the computational cost of path integral calculations, such as high-order factorizations of the Boltzmann operator or generalized Langevin equation thermostats.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Black Hole Airy Tail

In Jackiw-Teitelboim (JT) gravity, which is dual to a random matrix ensemble, the annealed entropy differs from the quenched entropy at low temperatures and goes negative. However, computing the quenched entropy in JT gravity requires a replica limit that is poorly understood. To circumvent this, we define an intermediate quantity called the semiquenched entropy, which has the positivity properties of the quenched entropy, while requiring a much simpler replica trick. We compute this in JT gravity in different regimes using (i) a bulk calculation involving wormholes corresponding to the Airy limit of the dual matrix integral and (ii) a boundary calculation involving one-eigenvalue instanton saddles proposed by Hernández-Cuenca, demonstrating consistency between these two calculations in their common regime of validity. We also clarify why similar one-eigenvalue instanton saddles cannot be used to compute the quenched entropy due to a breakdown of the saddle-point approximation for the one-eigenvalue instanton in the replica limit. Our results show how to use the gravitational path integral to prove that black holes in JT gravity have isolated ground states and to study their properties.

Gauge-gravity dualities↗