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Results for “ADIABATIC PROCESSES”

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NASA NTRS1990

Critical speeding up in pure fluids

The extreme compressibility of a pure fluid near its critical point significantly affects its bulk dynamic response to temperature changes through adiabatic processes. Equations that describe the dynamics in the absence of gravity are developed, and the magnitude of the effect is illustrated with numerical solutions in one dimension. The results are remarkable: 5 mm of critical xenon, quenched from 20 to 10 mK above its critical temperature, cools by over 99 percent in less than 5 s. Moreover, adiabatic cooling is faster when the fluid is closer to the critical point.

Boukari, Hacene↗

NASA NTRS1980

An artificial energy method for calculating flows with shocks

The artificial-viscosity method, first proposed by von Neumann and Richtmyer, introduces an artificial viscous pressure term in regions of compression such that an increase in entropy occurs in shock transition zones. The paper describes how dissipative flows can be induced by reducing the total energy available for adiabatic processes in shock zones. A class of inviscid fluid flows, called semiflows, is described in which the flows exhibit thermodynamic differences. Induced dissipative flows modify the pressure in regions of compression in a manner analogous to the artificial-viscosity method and for a gas, the effect is equivalent to suitably modifying the gas constant in the equation of state. By employing MacCormack's method and the usual non-adiabatic equations, numerical solutions of a Riemann problem are compared with the modified artificial energy method, showing that the dissipation effect predicted by the analytical formulation is reflected in the numerical method as well.

Rose, M. E.↗

DOE OSTI2019

Structural changes and variability of the ITCZ induced by radiation–cloud–convection–circulation interactions: inferences from the Goddard Multi-scale Modeling Framework (GMMF) experiments

In this paper, we have investigated the impact of radiation–cloud–convection–circulation interaction (RC3I) on structural changes and variability of the Inter-tropical Convergence Zone (ITCZ) using the Goddard Multi-scale Modeling Framework, where cloud processes are super-parameterized, i.e., explicitly resolved with 2-D cloud resolving models embedded in each coarse grid of the host Goddard Earth Observing System-Version 5 global climate model. Experiments have been conducted under prescribed sea surface temperature conditions for 10 years (2007–2016), with and without cloud radiation feedback in the atmosphere, respectively. Diagnostic analyses separately for January and July show that RC3I leads to an enhanced and expanded Hadley Circulation characterized by (1) a quasi-uniform warming and moistening of the tropical atmosphere and a sharpening of the ITCZ with enhanced deep convection, more intense precipitation and higher clouds, (2) extended drying of the tropical marginal convective zones, and extratropical mid- to lower troposphere, and (3) a cooling of the polar regions, with increased baroclinicity and midlatitude storm track activities. Computations based on the zonal mean thermodynamic energy balance equation show that the radiative warming and cooling are strongly balanced by local adiabatic processes associated with changes in large-scale vertical motions, as well as horizontal atmospheric heat transport. In the tropics, enhanced short-wave absorption and longwave water vapor greenhouse effects by high clouds play key roles in providing strong positive feedback to the tropospheric warming. In the extratropics, increased atmospheric heat transport associated with changes in the Hadley circulation is balanced by strong longwave cooling above, and warming below due to increased high clouds. We also find a strong positive correlation between daily and pentad heavy rain in the ITCZ core, and expansion of the drier zones coupled to a contraction of the highly convective zones in the ITCZ, indicating a strong tendency RC3I-induced convective aggregation in tropical clouds i.e., wet-regions-get-wetter and contracted, and dry-areas-get-drier and expanded.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

A charge-transfer resistance model and Arrhenius activation analysis for hydrogen ion transmission across single-layer graphene

Transmission rates for protons and deuterons across single-layer graphene embedded in Nafion | graphene | Nafion sandwich structures are measured as a function of temperature in electrochemical hydrogen pump cells. Rates of ion transmission through graphene are obtained in the form of area-normalized ion-transfer resistances, and are interpreted in terms of ion-exchange current densities and standard heterogeneous ion-transfer rate constants. An encounter pre-equilibrium model for the ion-transfer step is then used to provide rate constants for the fundamental microscopic step of ion (proton or deuteron) transmission across graphene. Application of this rate model to interpret variable-temperature data on proton and deuteron transmission rates provides values for the activation energy and pre-exponential factor for the fundamental ion transmission step across graphene. Activation energies obtained from the Arrhenius plots for proton and deuteron transmission are as follows; for proton, E act = 48 ± 2 kJ/mole (0.50 ± 0.02 eV) and for deuteron, E act = 53 ± 5 kJ/mole (0.55 ± 0.05 eV). The difference between these two values of approximately 5 kJ/mole is in good agreement with the expected difference in vibrational zero-point energies for O—H and O-D bonds, albeit with some uncertainty given the uncertainties in the activation energy values. Pre-exponential frequency factor values of 8.3 ± 0.4 × 10 13 s -1 and is 4.7 ± 0.5 × 10 13 s -1 were obtained for proton and deuteron transmission respectively across graphene. These pre-factor values are both quite large, on the order of the values predicted from the Eyring – Polanyi equation with a transmission coefficient near one. The ratio of 1.8 for the rate pre-factors (H/D) is in reasonable agreement with the value of 1.3 for the ratio of bond vibrational frequencies for O—H and O-D stretching, respectively. Taken together, these data support a model in which proton and deuteron transmission across graphene are largely adiabatic processes for which the differences in transmission rate at room temperature are due largely to differences in activation energies.

2D materials↗

DOE OSTI2017

Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics

We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is introduced such that Boltzmann sampling of the isomorphic Hamiltonian with classical nuclear degrees of freedom yields the exact quantum Boltzmann distribution for the original physical system. In the limit of a single electronic energy level, the isomorphic Hamiltonian reduces to the familiar cases of either ring polymer molecular dynamics (RPMD) or centroid molecular dynamics Hamiltonians, depending on the implementation. An advantage of the isomorphic Hamiltonian is that it can easily be combined with existing mixed quantum-classical dynamics methods, such as surface hopping or Ehrenfest dynamics, to enable the simulation of electronically non-adiabatic processes with nuclear quantum effects. As a result, we present numerical applications of the isomorphic Hamiltonian to model two- and three-level systems, with encouraging results that include improvement upon a previously reported combination of RPMD with surface hopping in the deep-tunneling regime.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

General framework for quantifying dissipation pathways in open quantum systems. III. Off-diagonal subsystem–bath couplings

This paper extends the previously reported theory of dissipation pathways [C. W. Kim and I. Franco, J. Chem. Phys. 160, 214111 (2024)] to incorporate off-diagonal subsystem–bath coupling, which is often required to model molecular systems where the environment directly influences transitions and couplings between subsystem states. We systematically derive master equations for both population transfer and dissipation into individual bath components, for which we also rigorously prove energy conservation and detailed balance. The approach is based on second-order perturbation theory with respect to the subsystem–bath couplings, whose form is not limited to any specific model. The accuracy of the developed method is tested by applying it to diverse model Hamiltonians involving linearly coupled harmonic oscillator baths and comparing the outcomes against the hierarchical equations of motion (HEOM) method. Overall, our method accurately quantifies the contributions of specific bath components to the overall dissipation while significantly reducing the computational cost compared to numerically exact methods such as HEOM, thus offering a path to examine how vibronic interactions steer non-adiabatic processes in realistic chemical systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Improvement of Representation of the Cloud-Aerosol Interaction in Large-Scale Models

The main achievements reached under the DOE award DE-SC0006788 are described. It is shown that the plan of the Project is completed. Unique results concerning cloud-aerosol interaction are obtained. It is shown that aerosols affect intensity of hurricanes. The effects of small aerosols on formation of ice in anvils of deep convective clouds are discovered, for the first time the mechanisms of drizzle formation are found and described quantitatively. Mechanisms of formation of warm rain are clarified and the dominating role of adiabatic processes and turbulence are stressed. Important results concerning the effects of sea spray on intensity of clouds and tropical cyclones are obtained. A novel methods of calculation of hail formation has been developed and implemented.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1981

Temperature variation of the plasma sheet during substorms

The temperature and density of the plasma in the earth's distant plasma sheet at downstream distances of about 20-25 earth radii, are examined during a high geomagnetic disturbance period. It is shown that the plasma sheet cools when magnetospheric substorm expansion is indicated by the AE index. During cooling, the plasma sheet temperature, T, and the number density, N, are related by T proportional to N to the 2/3 power (adiabatic process) in some instances, while by T proportional to 1/N (isobaric process) in other cases. The total plasma and magnetic pressure decreases when T is proportional to 1/N and increases when T is proportional to 1/N. Observation also indicates that the dawn-dusk component of plasma flow is frequently large and comparable to the sunward-tailward flow component near the central plasma sheet during substorms.

Lui, A. T. Y.↗

NASA NTRS1984

Non-quasi-geostrophic effects in baroclinic waves with latent heat release

A study is conducted for the non-quasi-geostrophic baroclinic wave effects in a saturated atmosphere whose vertical motion is subject to pseudo-adiabatic processes. With respect to the characteristics of energetics for the first-order solution, it is noted that, in the cases of both the dry mode and the first moist mode, the heat transport quantities due to the second-order eddy are small and opposite in sign to their respective transports. The non-quasi-geostrophic effects render the vertical motion field asymmetric in each of the regions involved and enter into the present treatment only as nonlinear terms. The moisture transport terms in the eddy-available potential energy equation is small by comparison to other individual terms in the cyclone scale motion's energetics calculation. This is consistent with the observational results of Smith (1980).

Fichtl, G. H.↗

NASA NTRS1985

Connection between mesopause temperature, circulation and noctilucent clouds

To investigate the connection between mesopause temperature in summer and the induced circulation upon possible formation of the observed polar mesospheric (noctilucent) cloud layer (PMC), a two-dimensional semiempirical model is used to calculate the zonally averaged diabatic circulation. On the basis of the calculations, one may draw the following conclusions: (1) if the large departures from radiative equilibrium which occur at the summer mesopause at high latitudes should be balanced by adiabatic processes of the mean circulation alone, a vigorous circulation is needed (there is some evidence that such a vigorous circulation has been observed); (2) the vertical velocities of some cm/s at the polar summertime mesopause will support the formation of polar mesospheric clouds, because those large wind speeds support larger ice particles against gravitational sedimentation; and (3) a region of mild subsidence in the summertime midlatitude mesosphere due to the effect of nonlinear temperature advection would tend to limit the occurrence of ice particles to latitudes poleward of about 55 deg.

Gartner, V.↗

NASA NTRS1985

Observational and theoretical studies of the evolving structure of baroclinic waves: Attractor dynamics of global weather systems

Significant progress was made in developing a six-component dry model of mid-latitude baroclinic wave evolution, and a ten-component moist model. These models include representations of airflow over mountians and non-adiabatic processes. As a first step, the properties of a reduced, three component, baroclinic system are studied. The classical baroclinic stability criteria emerge as the properties of one of the three equilibria admitted, with the remaining two equilibria forming the attractor region for the observed weather activity. Passive tracer evolution in a baroclinic wave was studied. A model in which only constituents trapped within low atmospheric levels are considered, has been extended to include the possibility for fluxes into the upper levels of the atmosphere. The reported results for the lower levels achieved previously are shown to be qualitatively similar to those obtained by these new calculations in which the vertical flux constraint is removed. An extensive study of an 8-year record of global outgoing longwave radiation for the Northern Hemisphere reveals that blocking events exhibit only a weak signature of blocking highs, as measured by relatively low values of the ratio of the standard deviation to the mean value of the observed long wave outgoing radiation. Though present in many cases, the signature is not a strongly distinctive feature of the blocking episodes.

Saltzman, B.↗

NASA NTRS1989

Cloud-generated radiative heating and its generation of available potential energy

The generation of zonal available potential energy (APE) by cloud radiative heating is discussed. The APE concept was mathematically formulated by Lorenz (1955) as a measure of the maximum amount of total potential energy that is available for conversion by adiabatic processes to kinetic energy. The rate of change of APE is the rate of the generation of APE minus the rate of conversion between potential and kinetic energy. By radiative transfer calculations, a mean cloud-generated radiative heating for a well defined set of cloud classes is derived as a function of cloud optical thickness. The formulation is suitable for using a general cloud parameter data set and has the advantage of taking into account nonlinearities between the microphysical and macrophysical cloud properties and the related radiation field.

Stuhlmann, R.↗

NASA NTRS1937

The Design of Airplane-engine Superchargers

With the forms of superchargers and underlying principles of computation, delivery heads per stage of 7,000 to 8,500 meters (air column) at an effective efficiency, based on the adiabatic process, of 0.7 may be attained, the space and weight requirements being kept within reasonable limits.

Von Der Null, Werner↗

NASA NTRS1943

Turbulent Friction in the Boundary Layer of a Flat Plate in a Two-Dimensional Compressible Flow at High Speeds

In the present report an investigation is made on a flat plate in a two-dimensional compressible flow of the effect of compressibility and heating on the turbulent frictional drag coefficient in the boundary layer of an airfoil or wing radiator. The analysis is based on the Prandtl-Karman theory of the turbulent boundary later and the Stodola-Crocco, theorem on the linear relation between the total energy of the flow and its velocity. Formulas are obtained for the velocity distribution and the frictional drag law in a turbulent boundary later with the compressibility effect and heat transfer taken into account. It is found that with increase of compressibility and temperature at full retardation of the flow (the temperature when the velocity of the flow at a given point is reduced to zero in case of an adiabatic process in the gas) at a constant R (sub x), the frictional drag coefficient C (sub f) decreased, both of these factors acting in the same sense.

Frankl, F.↗

NASA NTRS2006

The Curious Events Leading to the Theory of Shock Waves

We review the history of the development of the modern theory of shock waves. Several attempts at an early-theory quickly collapsed for lack of foundations in mathematics and thermodynamics. It is not until the works of Rankine and later Hugoniot that a full theory is established. Rankine is the first to show that within the shock a non-adiabatic process must occur. Hugoniot showed that in the absence of viscosity and heat conduction conservation of energy implies conservation of entropy in smooth regions and a jump in entropy across a shock. Even after the theory is fully developed, old notions continue to pervade the literature well into the early part of the 20th Century.

Salas, Manuel D.↗

DOE OSTI2026

String-Breaking Dynamics in Quantum Adiabatic and Diabatic Processes

Confinement prohibits isolation of color charges, e.g., quarks, in nature via a process called string breaking : the separation of two charges results in an increase in the energy of a color flux, visualized as a string, connecting those charges. Eventually, creating additional charges is energetically favored, hence breaking the string. Such a phenomenon can be probed in simpler models, including quantum spin chains, enabling enhanced understanding of string-breaking dynamics. A challenging task is to understand how string breaking occurs as time elapses, in an out-of-equilibrium setting. This work establishes the phenomenology of dynamical string breaking induced by a gradual increase of string tension over time. It, thus, goes beyond instantaneous quench processes and enables tracking the real-time evolution of strings in a more controlled setting. We focus on domain-wall confinement in a family of quantum Ising chains. Our results indicate that, for sufficiently short strings and slow evolution, string breaking can be described by the transition dynamics of a two-state quantum system akin to a Landau-Zener process. For longer strings, a more intricate spatiotemporal pattern emerges: the string breaks by forming a superposition of bubbles (domains of flipped spins of varying sizes), which involve highly excited states. We finally demonstrate that string breaking driven only by quantum fluctuations can be realized in the presence of sufficiently long-ranged interactions. This work holds immediate relevance for studying string breaking in quantum-simulation experiments.

Ising model↗

NASA NTRS1981

Adiabatic and nonadiabatic processes in thermal models of solar hard X-ray bursts

The temporal evolution of thermal-bremsstrahlung-emitting material at the top of a solar coronal loop under various processes is examined as a model of solar hard X-ray bursts. The behavior of emission measure and temperature with time is analyzed for the hot plasma confined in a segment at the top of a loop, taking into account the effects or the time variation of the confining toroidal magnetic field, the longitudinal expansion of the source through the motion of a pair of collisionless conduction fronts and unspecified heating or cooling processes. Analytic expressions for the behavior of the toroidal magnetic field and the heating rate necessary to reproduce a given behavior of emission measure and temperature with time are obtained in terms of the initial magnetic field strength and density of the heated region and a characteristic longitudinal expansion time. Results are applied to observations of two impulsive solar hard X-ray bursts, and it is shown that the contribution of heating is negligible after the first few seconds of the events, although significant nonadiabatic heating occurs early in the events.

Emslie, A. G.↗

DOE OSTI2017

Adiabatic phase-conserving processes for executing quantum operations with ultracold atoms

We have studied the regimes of deterministic single-atom Rydberg excitation in the conditions of Rydberg blockade and the methods of compensation for the dynamic phase of the wave function during the adiabatic passage. Using these methods, we have proposed schemes of single-qubit and two-qubit quantum states with mesoscopic atomic ensembles containing a random number of atoms, considred as quibits. The double adiabatic passage of the Förster resonance for two interacting atoms with a deterministic phase shift can be used for the implementation of two-qubit gates with reduced sensitivity of the gate fidelity to the fluctuations of the interatomic distance. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗