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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Nonlinear dust-acoustic structures in space plasmas with superthermal electrons, positrons, and ions

Some features of nonlinear dust-acoustic (DA) structures are investigated in a space plasma consisting of superthermal electrons, positrons, and positive ions in the presence of negatively charged dust grains with finite-temperature by employing a pseudo-potential technique in a hydrodynamic model. For this purpose, it is assumed that the electrons, positrons, and ions obey a kappa-like (κ) distribution in the background of adiabatic dust population. In the linear analysis, it is found that the dispersion relation yield two positive DA branches, i.e., the slow and fast DA waves. The upper branch (fast DA waves) corresponds to the case in which both (negatively charged) dust particles and (positively charged) ion species oscillate in phase with electrons and positrons. On the other hand, the lower branch (slow DA waves) corresponds to the case in which only dust particles oscillate in phase with electrons and positrons, while ion species are in antiphase with them. On the other hand, the fully nonlinear analysis shows that the existence domain of solitons and their characteristics depend strongly on the dust charge, ion charge, dust temperature, and the spectral index κ. It is found that the minimum/maximum Mach number increases as the spectral index κ increases. Also, it is found that only solitons with negative polarity can propagate and that their amplitudes increase as the parameter κ increases. Furthermore, the domain of Mach number shifts to the lower values, when the value of the dust charge Z{sub d} increases. Moreover, it is found that the Mach number increases with an increase in the dust temperature. Our analysis confirms that, in space plasmas with highly charged dusts, the presence of superthermal particles (electrons, positrons, and ions) may facilitate the formation of DA solitary waves. Particularly, in two cases of hydrogen ions H{sup +} (Z{sub i} = 1) and doubly ionized Helium atoms He{sup 2+} (Z{sub i} = 2), the mentioned results are the same. Additionally, the mentioned dusty plasma does not support DA solitons with positive polarity (compressive solitons). Furthermore, our analysis confirms that DA double layers cannot exist in such a system. Moreover, the positron density has not a considerable effect on the behavior of DA solitons in our model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Ab initio theory of the equation of state for compressed rare gas crystals

Nonempirical equations of state of compressed rare gas crystals Ne, Ar, Kr, and Xe are studied on the basis of the earlier-obtained ab initio adiabatic potential. The paired and three-body short-range repulsive potentials are calculated by the Hartree–Fock method in the basis of localized functions with their exact mutual orthogonalization and do not contain experimentally determined parameters. The theory is compared with the experiment and results of calculations by other authors. Analysis of the proposed equations of state for large compressions has shown the importance of taking into account the three-body interaction and the terms of the higher order in the overlap integral in compressed neon and the sufficiency of the quadratic approximation in the orthogonalization of functions in heavy rare gas crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Improvements in the reactor core isolation cooling (RCIC) pump model

As part of the efforts to understand the unexpected “self-regulating” mode of the RCIC (Reactor Core Isolation Cooling) systems that was observed during the Fukushima accidents and to extend BWR RCIC and PWR AFW (Auxiliary Feed Water) operational range and flexibility, mechanistic models for the Terry turbine are being developed and tested with the RELAP-7 code to simulate the RCIC system. In the previous work, we developed a set of analytical models for the normal working conditions, as well as the two-phase off-design conditions, of the RCIC system, based on Sandia’s original work. An under-expanded jet model was developed to replace the CFD-based reduced-order model in the Sandia work to obtain the velocity and thermodynamic conditions of the turbine stator inlet. The models include both an adiabatic expansion process inside the nozzle and a free expansion process outside of the nozzle to ambient pressure. For the two-phase off-design conditions, two well-established choking models were used - the Isentropic Homogenous Equilibrium Model (IHEM) and Moody’s model. The new twophase Terry turbine model used the choking models to calculate the mass flow rate, the critical pressure at the nozzle throat, and steam quality. The two-phase nozzle expansion model was also developed by considering the vapor phase with a similar model for the single-phase case with the assumption that the liquid phase would slip along the wall with a much slower speed and will not contribute to the impulse on the rotor.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1984

Normal Mode Initialization

The objective of this research is the development and implementation of normal mode procedures for use with the GLAS analysis/forecast system. Specific tasks of this work include: (1) high latitude filtering of model fields to preserve the GLAS GCM's linear stability during integration; (2) development of nonlinear normal mode initialization (NLNMI) processes, both adiabatic and diabatic. Using NLNMI to initialize GLAS analyses; investigation of the impact of normal mode initialization on the GLAS analysis/forecast system, especially in regard to data assimilation; and (3) diagnosis of the 1-3 day systemic forecast errors of the GLAS GCM.

Bloom, S. C.↗
NASA NTRS2004

Gas-liquid Phase Distribution and Void Fraction Measurements Using the MRI

We used a permanent-magnet MRI system to estimate the integral and spatially- and/or temporally-resolved void-fraction distributions and flow patterns in gas-liquid two-phase flows. Air was introduced at the bottom of the stagnant liquid column using an accurate and programmable syringe pump. Air flow rates were varied between 1 and 200 ml/min. The cylindrical non-conducting test tube in which two-phase flow was measured was placed in a 2.67 kGauss MRI with MRT spectrometer/imager. Roughly linear relationship has been obtained for the integral void-fraction, obtained by volume-averaging of the spatially-resolved signals, and the air flow rate in upward direction. The time-averaged spatially-resolved void fraction has also been obtained for the quasi-steady flow of air in a stagnant liquid column. No great accuracy is claimed as this was an exploratory proof-of-concept type of experiment. Preliminary results show that MRI a non-invasive and non-intrusive experimental technique can indeed provide a wealth of different qualitative and quantitative data and is especially well suited for averaged transport processes in adiabatic and diabatic multi-phase and/or multi-component flows.

Daidzic, N. E.↗
DOE OSTI2018

Efficient analysis of stochastic gene dynamics in the non-adiabatic regime using piecewise deterministic Markov processes

Single-cell experiments show that gene expression is stochastic and bursty, a feature that can emerge from slow switching between promoter states with different activities. In addition to slow chromatin and/or DNA looping dynamics, one source of long-lived promoter states is the slow binding and unbinding kinetics of transcription factors to promoters, i.e. the non-adiabatic binding regime. Here, we introduce a simple analytical framework, known as a piecewise deterministic Markov process (PDMP), that accurately describes the stochastic dynamics of gene expression in the non-adiabatic regime. We illustrate the utility of the PDMP on a non-trivial dynamical system by analysing the properties of a titration-based oscillator in the non-adiabatic limit. We first show how to transform the underlying chemical master equation into a PDMP where the slow transitions between promoter states are stochastic, but whose rates depend upon the faster deterministic dynamics of the transcription factors regulated by these promoters. We show that the PDMP accurately describes the observed periods of stochastic cycles in activator and repressor-based titration oscillators. We then generalize our PDMP analysis to more complicated versions of titration-based oscillators to explain how multiple binding sites lengthen the period and improve coherence. Finally, we show how noise-induced oscillation previously observed in a titration-based oscillator arises from non-adiabatic and discrete binding events at the promoter site.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1986

Modulation of galactic cosmic rays in the heliosphere

Observations of the intensity of galactic cosmic rays and anomalous components near earth and in the outer heliosphere are providing important tests for theories of solar modulation. The most recent observations show effects that seem to require that models for modulation include gradient and curvature drifts as well as the conventional processes of convection, adiabatic deceleration, and diffusion. New observations are required to define the interplay of these processes in the three-dimensional heliosphere.

Mckibben, R. B.↗
NASA NTRS1976

Retrodictive determinism

With respect to irreversible, non-homeomorphic maps, contravariant and covariant tensor fields have distinctly natural covariance and transformational behavior. For thermodynamic processes which are non-adiabatic, the fact that the process cannot be represented by a homeomorphic map emphasizes the logical arrow of time, an idea which encompasses a principle of retrodictive determinism for covariant tensor fields.

Kiehn, R. M.↗
NASA NTRS1989

The role of diabatic heating in maintaining the upper-tropospheric baroclinic zone in the South Pacific

The four-dimensional structure of the region in the South Pacific convergence zone (SPCZ) during January 10-18, 1979 is studied using a modified set of ECMWF FGGE level III-b analyses. The effects of kinematic and thermodynamic processes on maintaining the upper baroclinic region corresponding with the subtropical jet are analyzed. The role of adiabatic and diabatic processes in the maintenance of baroclinicity in the area of the SPCZ is examined using the frontogenetical function. It is observed that the processes affecting the evolution of baroclinicity in the SPCZ region differ from those in the middle latitude; possible reasons for these differences are proposed.

Robertson, Franklin R.↗
DOE OSTI2020

A Climatology of Marine Boundary Layer Cloud and Drizzle Properties derived from Ground-based Observations over the Azores

In this study, more than four years of ground-based observations and retrievals were collected and analyzed to investigate the seasonal and diurnal variations of single-layered MBL (with three subsets: non-drizzling, virga and rain) cloud and drizzle properties, as well as their vertical and horizontal variations. The annual mean drizzle frequency was ~55%, with ~70% in winter and ~45% in summer. The cloud-top (-base) height for rain clouds was the highest (lowest), resulted in the deepest cloud layer (0.8 km), which is four (two) times of non-drizzling (virga) clouds. The retrieved cloud-droplet effective radii (rc) were the largest (smallest) for rain (non-drizzling) clouds, and the nighttime values were greater than the daytime values. Drizzle number concentration (Nd) and liquid water content (LWCd) were three and one order(s) lower than their cloud counterparts. The rc and LWCc increased from the cloud base to ???? = ~0.75 by condensational growth, while drizzle median radii (rd) increased from the cloud top downwards the cloud base by collision-coalescence. The adiabaticity values monotonically increased from the cloud top to the cloud base with maxima of ~0.7 (0.3) for non-drizzling (rain) clouds. The drizzling process decreases the adiabaticity by 0.25 to 0.4, and the cloud-top entrainment mixing impacts as deep as upper 40% of the cloud layers. Cloud and drizzle homogeneities decreased with increased horizontal sampling lengths. Cloud homogeneity increases with increasing cloud fraction. These results can serve as baselines for studying MBL cloud-to-rain conversion and growth processes over the Azores.

Wu, Peng↗
NASA NTRS1987

Numerical simulations of the subsynoptic features associated with the AVE-SESAME I case. I - The preconvective environment

The extensive diagnostic calculations made possible by the AVE-SESAME I database are used in combination with numerical simulations from the Mesoscale Atmospheric Simulation System (MASS) model to examine the dynamics of the meso-alpha-scale features during the preconvective period from 1130 to 2030 UTC on April 10, 1979. The version of the MASS model used in this investigation is presented, and an overview of the general synoptic conditions present at the time of model initialization is presented along with the data used to initialize the model. The dynamical processes present in the numerical simulations are presented and compared with analyses of the observational data from this and other investigations of this case. The relative importance of the adiabatic and diabatic processes in creating and then initiating the release of the convective instability is discussed.

Zack, John W.↗
DOE OSTI2019

Electronic–Vibrational Coupling and Electron Transfer

This Feature Article describes our recent work on implementing pump-degenerate four-wave mixing for studying electronic vibrational coupling in solid-state systems and in particular in interfacial electron transfer systems. Interfacial electron transfer (ET) reactions constitute key physical phenomena central to a variety of light-induced energy transport and conversion processes such as vision, photocatalysis, photovoltaics, energy storage, molecular electronics, etc. Heterogeneous material systems like organic/inorganic interfaces are of particular interest due to the variety of possible modifications to their properties. Although ET dynamics has been studied intensively in heterogeneous systems, many questions remain unanswered. The significance of electronic–vibrational coupling and coherence is one aspect that has yet to be fully explored. It is well-known that ET between a molecule and a semiconductor can be accompanied by vibrational excitation due to Franck–Condon overlap of the excited state and cation. The energy necessary for exciting these high-energy vibrational modes is taken from the excess energy of the transferred electron and leads to an ET spectrum. This spectrum carries information that is associated with the vibrational wavepacket that is involved in the ET process, including the coherent beating that results from periodic attempts to overcome the transition state. The dynamics of the wavepacket, and in particular its coherence time, provides insight into the strength of the coupling between electron donor and acceptor states and the adiabaticity of the process. This information is important but not readily available for interfacial ET systems comprising a large number of possible electron acceptor states because neither the rate of the reaction nor the electronic spectrum allows unambiguous assignment. These recent studies give access to vibrational wave packet dynamics triggered by ET reaction and have the potential to allow direct measurement of Huang–Rys parameters and study fundamental properties of interfacial ET like the adiabaticity and the amount of coherence—electronic and vibrational—in the system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem

The recently developed ab-initio multiple cloning (AIMC) approach based on the multicongurational Ehrenfest (MCE) method provides a powerful and accurate way of describing the excited-state dynamics of molecular systems. The AIMC method is a controlled approximation to non-adiabatic dynamics with a particular strength in the proper description of decoherence effects due to branching of vibrational wavepackets at a level crossing. In this work, we report a new implementation of the AIMC algorithm in the open source NWChem computational chemistry program. The framework combines linear-response time-dependent density functional theory with Ehrenfest mean-eld theory to determine the equations of motion for classical trajectories. The multi-dimensional wave function is decomposed into a superposition of Gaussian coherent states guided by Ehrenfest trajectories (i.e., MCE approach), which can clone with fully quantum mechanical amplitudes and phases. By using an efficient time-derivative based non-adiabatic coupling approach within the AIMC method, all observable are calculated on-the-y in the non-adiabatic molecular dynamics process. As a representative example, we apply our implementation to study the ultrafast photoinduced electronic and vibrational energy transfer in a pyridine molecule. The effects of the cloning procedure on electronic and vibrational coherence, relaxation and unidirectional energy transfer are discussed. This new AIMC implementation provides a high-level non-adiabatic molecular dynamics framework for simulating photoexcited dynamics in complex molecular systems and experimentally relevant ultrafast spectroscopic probes, such as nonlinear coherent optical and X-ray signals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Pressure Exchanger for Energy Recovery in a Trans-Critical CO2 Refrigeration System

Trans-critical CO2 vapor compression (VC) refrigeration cycles require a high compression ratio, which is associated with high expansion losses. To recover these expansion losses, a pressure exchange process between the low- and high-pressure sides of the VC cycle is proposed and examined in this study. The proposed pressure exchange system is an open type constant volume process where the high- and low-pressure flows mix inside the system. This prototype is inspired by the pressure exchangers used in reverse-osmosis (RO) desalination systems. In this system, a 2D model was generated and modeled using the computational fluid dynamics (CFD) technique. The numerical model ignored any losses due to leakage or hydraulic friction and the process is considered adiabatic. For the modeling, it was assumed that the inlet conditions for the two pressure exchanger flows are similar to the flow conditions at the evaporator and gas cooler outlets in a VC cycle. Two parameters are examined to test the validity of the system and understand their effect on the performance, including the inlet flow rate represented by the inlet velocity and the process time represented by the speed of rotation. A total of nine cases were simulated and analyzed in this study.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2019

Quantum statistics and spacetime topology: Quantum surgery formulas

To formulate the universal constraints of quantum statistics data of generic long-range entangled quantum systems, we introduce the geometric-topology surgery theory on spacetime manifolds where quantum systems reside, cutting and gluing the associated quantum amplitudes, specifically in 2+1 and 3+1 spacetime dimensions. First, we introduce the fusion data for worldline and worldsheet operators capable of creating anyonic excitations of particles and strings, well-defined in gapped states of matter with intrinsic topological orders. Second, we introduce the braiding statistics data of particles and strings, such as the geometric Berry matrices for particle–string Aharonov–Bohm, 3-string, 4-string, or multi-string adiabatic loop braiding process, encoded by submanifold links, in the closed spacetime 3-manifolds and 4-manifolds. Third, we derive new “quantum surgery” formulas and constraints, analogous to Verlinde formula associating fusion and braiding statistics data via spacetime surgery, essential for defining the theory of topological orders, 3d and 4d TQFTs and potentially correlated to bootstrap boundary physics such as gapless modes, extended defects, 2d and 3d conformal field theories or quantum anomalies. This article is meant to be an extended and further detailed elaboration of our previous work Wang, Wen and Yau (2016) [1] and Chapter 6 of Wang (2015) [2]. Our theory applies to general quantum theories and quantum mechanical systems, also applicable to, but not necessarily requiring the quantum field theory description.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗