Science.gov

Sample records for non-equilibrium radiation source

  1. Implicit Solution of Non-Equilibrium Radiation Diffusion Including Reactive Heating Source in Material Energy Equation

    SciTech Connect

    Shumaker, D E; Woodward, C S

    2005-05-03

    In this paper, the authors investigate performance of a fully implicit formulation and solution method of a diffusion-reaction system modeling radiation diffusion with material energy transfer and a fusion fuel source. In certain parameter regimes this system can lead to a rapid conversion of potential energy into material energy. Accuracy in time integration is essential for a good solution since a major fraction of the fuel can be depleted in a very short time. Such systems arise in a number of application areas including evolution of a star and inertial confinement fusion. Previous work has addressed implicit solution of radiation diffusion problems. Recently Shadid and coauthors have looked at implicit and semi-implicit solution of reaction-diffusion systems. In general they have found that fully implicit is the most accurate method for difficult coupled nonlinear equations. In previous work, they have demonstrated that a method of lines approach coupled with a BDF time integrator and a Newton-Krylov nonlinear solver could efficiently and accurately solve a large-scale, implicit radiation diffusion problem. In this paper, they extend that work to include an additional heating term in the material energy equation and an equation to model the evolution of the reactive fuel density. This system now consists of three coupled equations for radiation energy, material energy, and fuel density. The radiation energy equation includes diffusion and energy exchange with material energy. The material energy equation includes reaction heating and exchange with radiation energy, and the fuel density equation includes its depletion due to the fuel consumption.

  2. Non-equilibrium radiation nuclear reactor

    NASA Technical Reports Server (NTRS)

    Thom, K.; Schneider, R. T. (Inventor)

    1978-01-01

    An externally moderated thermal nuclear reactor is disclosed which is designed to provide output power in the form of electromagnetic radiation. The reactor is a gaseous fueled nuclear cavity reactor device which can operate over wide ranges of temperature and pressure, and which includes the capability of processing and recycling waste products such as long-lived transuranium actinides. The primary output of the device may be in the form of coherent radiation, so that the reactor may be utilized as a self-critical nuclear pumped laser.

  3. Investigation of Non-Equilibrium Radiation for Earth Entry

    NASA Technical Reports Server (NTRS)

    Brandis, Aaron; Johnston, Chris; Cruden, Brett

    2016-01-01

    This paper presents measurements and simulations of non-equilibrium shock layer radiation relevant to high-speed Earth entry data obtained in the NASA Ames Research Center's Electric Arc Shock Tube (EAST) facility. The experiments were aimed at measuring the spatially and spectrally resolved radiance at relevant entry conditions for both an approximate Earth atmosphere (79 N2 : 21 O2) as well as a more accurate composition featuring the trace species Ar and CO2 (78.08 N2 : 20.95 O2 : 0.04 CO2 : 0.93 Ar). The experiments were configured to target a wide range of conditions, of which shots from 8 to 11.5 km/s at 0.2 Torr (26.7 Pa) are examined in this paper. The non-equilibrium component was chosen to be the focus of this study as it can account for a significant percentage of the emitted radiation for Earth entry, and more importantly, non-equilibrium has traditionally been assigned a large uncertainty for vehicle design. The main goals of this study are to present the shock tube data in the form of a non-equilibrium metric, evaluate the level of agreement between the experiment and simulations, identify key discrepancies and to promote discussion about various aspects of modeling non-equilibrium radiating flows. Radiance profiles integrated over discreet wavelength regions, ranging from the VUV through to the NIR, were compared in order to maximize both the spectral coverage and the number of experiments that could be used in the analysis. A previously defined non-equilibrium metric has been used to allow comparisons with several shots and reveal trends in the data. Overall, LAURAHARA is shown to under-predict EAST by as much as 50 and over-predict by as much as 20 depending on the shock speed. DPLRNEQAIR is shown to under-predict EAST by as much as 40 and over-predict by as much as 12 depending on the shock speed. In terms of an upper bound estimate for the absolute error in wall-directed heat flux, at the lower speeds investigated in this paper, 8 to 9 km/s, even

  4. Non-Equilibrium Radiation from Shock-Heated Air

    DTIC Science & Technology

    1991-07-01

    v- n 260nm LTER" vkT 4e_-. W 4 e IW- l watts (1) 2 (Q r)u cm3 sr cm - I r 0 I I .l I 1 I I I j 0 2 4 6 8 10 12 14 16 18 20 22 where CALCULATED ...Measurements, 210 nm 293 6 Radiation Measurements, 2 0 nm 30 7 Infrared Radiation Matrix, Experiment and Calculation 31 8 Three Temporal Parameters...Characterizing Non-equilibrium 32 I Infrared Radiation 9 Infrared Incubation Time, Experiment and Calculation 33 1 1 0 Infrared Time-To-Half-Peak

  5. Investigation of Non-Equilibrium Radiation for Earth Entry

    NASA Technical Reports Server (NTRS)

    Brandis, A. M.; Johnston, C. O.; Cruden, B. A.

    2016-01-01

    For Earth re-entry at velocities between 8 and 11.5 km/s, the accuracy of NASA's computational uid dynamic and radiative simulations of non-equilibrium shock layer radiation is assessed through comparisons with measurements. These measurements were obtained in the NASA Ames Research Center's Electric Arc Shock Tube (EAST) facility. The experiments were aimed at measuring the spatially and spectrally resolved radiance at relevant entry conditions for both an approximate Earth atmosphere (79% N2 : 21% O2 by mole) as well as a more accurate composition featuring the trace species Ar and CO2 (78.08% N2 : 20.95% O2 : 0.04% CO2 : 0.93% Ar by mole). The experiments were configured to target a wide range of conditions, of which shots from 8 to 11.5 km/s at 0.2 Torr (26.7 Pa) are examined in this paper. The non-equilibrium component was chosen to be the focus of this study as it can account for a significant percentage of the emitted radiation for Earth re-entry, and more importantly, non-equilibrium has traditionally been assigned a large uncertainty for vehicle design. The main goals of this study are to present the shock tube data in the form of a non-equilibrium metric, evaluate the level of agreement between the experiment and simulations, identify key discrepancies and to examine critical aspects of modeling non-equilibrium radiating flows. Radiance pro les integrated over discreet wavelength regions, ranging from the Vacuum Ultra Violet (VUV) through to the Near Infra-Red (NIR), were compared in order to maximize both the spectral coverage and the number of experiments that could be used in the analysis. A previously defined non-equilibrium metric has been used to allow comparisons with several shots and reveal trends in the data. Overall, LAURA/HARA is shown to under-predict EAST by as much as 40% and over-predict by as much as 12% depending on the shock speed. DPLR/NEQAIR is shown to under-predict EAST by as much as 50% and over-predict by as much as 20% depending

  6. Measurement of Radiative Non-Equilibrium for Air Shocks Between 7-9 Km/s

    NASA Technical Reports Server (NTRS)

    Cruden, Brett A.; Brandis, Aaron M.

    2016-01-01

    This paper describes a recent characterization of non-equilibrium radiation for shock speeds between 7 and 9 km/s in the NASA Ames Electric Arc Shock Tube (EAST) Facility. Data is spectrally resolved from 190- 1450 nm and spatially resolved behind the shock front. Comparisons are made to DPLR/NEQAIR simulations using different modeling options and recommendations for future study are made based on these comparisons.

  7. Non-equilibrium effects in atmospheric characteristic oscillations due to radiation balance

    NASA Astrophysics Data System (ADS)

    Nurgaliyeva, K. E.; Somsikov, V. M.

    2008-12-01

    Nowadays researches on global change of climate are faces the challenge of insufficient development of open system theory. In this connection the problem of energy and entropy exchange process between solar radiation and atmospheric gas influence on atmospheric dynamics in the frames of non-equilibrium thermodynamics was studied in this work. For this purpose the equations of flow [fluid] dynamics for interacting medium - gas and radiation - with taking into account the entropy production in atmosphere and its exchanging between gas and radiation were used in this work. Dispersion relation numerical analysis of atmospheric gravity waves (AGWs) in non-equilibrium atmosphere was carried out. It has been established that the spectra in the daytime hours shifts on high-frequency region in comparison with nighttime spectra. This difference can reach several percent in certain atmospheric regions. For the spectrum of the equilibrium model of the atmosphere the difference between the daytime and nighttime spectra makes up several fractions of percent. A comparison of the theoretical calculations of AGWs spectrum with observations confirmed the availability of non-equilibrium effects in the AGWs spectral composition. In particular, that concerns of Antarctic data results gave the difference is about 4 percent, Almaty data results ranges between 1.3 - 6 per cent in depends of season. Investigation of wave disturbances on sunset and sunrise periods of time shows that there is a tendency for low frequency region at evening-time spectra and high frequency region at morning- time spectra.

  8. Asymptotic analysis of discrete schemes for non-equilibrium radiation diffusion

    SciTech Connect

    Cui, Xia Yuan, Guang-wei; Shen, Zhi-jun

    2016-05-15

    Motivated by providing well-behaved fully discrete schemes in practice, this paper extends the asymptotic analysis on time integration methods for non-equilibrium radiation diffusion in [2] to space discretizations. Therein studies were carried out on a two-temperature model with Larsen's flux-limited diffusion operator, both the implicitly balanced (IB) and linearly implicit (LI) methods were shown asymptotic-preserving. In this paper, we focus on asymptotic analysis for space discrete schemes in dimensions one and two. First, in construction of the schemes, in contrast to traditional first-order approximations, asymmetric second-order accurate spatial approximations are devised for flux-limiters on boundary, and discrete schemes with second-order accuracy on global spatial domain are acquired consequently. Then by employing formal asymptotic analysis, the first-order asymptotic-preserving property for these schemes and furthermore for the fully discrete schemes is shown. Finally, with the help of manufactured solutions, numerical tests are performed, which demonstrate quantitatively the fully discrete schemes with IB time evolution indeed have the accuracy and asymptotic convergence as theory predicts, hence are well qualified for both non-equilibrium and equilibrium radiation diffusion. - Highlights: • Provide AP fully discrete schemes for non-equilibrium radiation diffusion. • Propose second order accurate schemes by asymmetric approach for boundary flux-limiter. • Show first order AP property of spatially and fully discrete schemes with IB evolution. • Devise subtle artificial solutions; verify accuracy and AP property quantitatively. • Ideas can be generalized to 3-dimensional problems and higher order implicit schemes.

  9. Multi-Modality Pulsed AC Source for Medical Applications of Non-Equilibrium Plasmas

    NASA Astrophysics Data System (ADS)

    Friedrichs, Daniel; Gilbert, James

    2014-10-01

    A burgeoning field has developed around the use of non-equilibrium (``cold'') plasmas for various medical applications, including wound treatment, surface sterilization, non-thermal hemostasis, and selective cell destruction. Proposed devices typically utilize pulsed DC power sources, which have no other therapeutic utility, and may encounter significant regulatory restrictions regarding their safety for use in patient care. Additionally, dedicated capital equipment is difficult for healthcare facilities to justify. In this work, we have demonstrated for the first time the generation of non-equilibrium plasma using pulsed AC output from a specially-designed electrosurgical generator. The ability to power novel non-equilibrium plasma devices from a piece of equipment already ubiquitous in operating theatres should significantly reduce the barriers to adoption of plasma devices. We demonstrate the ability of a prototype device, coupled to this source, to reduce bacterial growth in vitro. Such a system could allow a single surgical instrument to provide both non-thermal sterilization and thermal tissue dissection.

  10. Non-equilibrium Landauer transport model for Hawking radiation from a black hole

    NASA Astrophysics Data System (ADS)

    Nation, P. D.; Blencowe, M. P.; Nori, Franco

    2012-03-01

    We propose that the Hawking radiation energy and entropy flow rates from a black hole can be viewed as a one-dimensional (1D), non-equilibrium Landauer transport process. Support for this viewpoint comes from previous calculations invoking conformal symmetry in the near-horizon region, which give radiation rates that are identical to those of a single 1D quantum channel connected to a thermal reservoir at the Hawking temperature. The Landauer approach shows in a direct way the particle statistics independence of the energy and entropy fluxes of a black hole radiating into vacuum, as well as one near thermal equilibrium with its environment. As an application of the Landauer approach, we show that Hawking radiation gives a net entropy production that is 50% larger than that obtained assuming standard 3D emission into vacuum.

  11. Entropy-based artificial viscosity stabilization for non-equilibrium Grey Radiation-Hydrodynamics

    SciTech Connect

    Delchini, Marc O. Ragusa, Jean C. Morel, Jim

    2015-09-01

    The entropy viscosity method is extended to the non-equilibrium Grey Radiation-Hydrodynamic equations. The method employs a viscous regularization to stabilize the numerical solution. The artificial viscosity coefficient is modulated by the entropy production and peaks at shock locations. The added dissipative terms are consistent with the entropy minimum principle. A new functional form of the entropy residual, suitable for the Radiation-Hydrodynamic equations, is derived. We demonstrate that the viscous regularization preserves the equilibrium diffusion limit. The equations are discretized with a standard Continuous Galerkin Finite Element Method and a fully implicit temporal integrator within the MOOSE multiphysics framework. The method of manufactured solutions is employed to demonstrate second-order accuracy in both the equilibrium diffusion and streaming limits. Several typical 1-D radiation-hydrodynamic test cases with shocks (from Mach 1.05 to Mach 50) are presented to establish the ability of the technique to capture and resolve shocks.

  12. Asymptotic analysis of discrete schemes for non-equilibrium radiation diffusion

    NASA Astrophysics Data System (ADS)

    Cui, Xia; Yuan, Guang-wei; Shen, Zhi-jun

    2016-05-01

    Motivated by providing well-behaved fully discrete schemes in practice, this paper extends the asymptotic analysis on time integration methods for non-equilibrium radiation diffusion in [2] to space discretizations. Therein studies were carried out on a two-temperature model with Larsen's flux-limited diffusion operator, both the implicitly balanced (IB) and linearly implicit (LI) methods were shown asymptotic-preserving. In this paper, we focus on asymptotic analysis for space discrete schemes in dimensions one and two. First, in construction of the schemes, in contrast to traditional first-order approximations, asymmetric second-order accurate spatial approximations are devised for flux-limiters on boundary, and discrete schemes with second-order accuracy on global spatial domain are acquired consequently. Then by employing formal asymptotic analysis, the first-order asymptotic-preserving property for these schemes and furthermore for the fully discrete schemes is shown. Finally, with the help of manufactured solutions, numerical tests are performed, which demonstrate quantitatively the fully discrete schemes with IB time evolution indeed have the accuracy and asymptotic convergence as theory predicts, hence are well qualified for both non-equilibrium and equilibrium radiation diffusion.

  13. Turbulent diffusion from a heated line source in non-equilibrium grid turbulence

    NASA Astrophysics Data System (ADS)

    Nedic, Jovan; Tavoularis, Stavros

    2015-11-01

    We have investigated turbulent diffusion of heat injected passively from a line source in equilibrium and non-equilibrium grid-generated turbulence, which are, respectively, flows in which the value of the non-dimensional rate of kinetic energy dissipation is constant or changes with streamwise distance from the grid. We used three grids with uniform square meshes and one fractal square grid (FSG), all of the same solidity, to generate non-equilibrium and equilibrium turbulence in a wind-tunnel. The regular grids have mesh sizes that are comparable to the first (RG160), second (RG80) and fourth (RG18) iterations of the fractal grid. The heated line source was inserted on the centre-plane of the grids at either of two downstream locations or an upstream one and it spanned the entire width of the wind-tunnel. We found that RG160 produced the greatest heat diffusion, followed by FSG, RG80 and RG18, in this order. The apparent turbulent diffusivity produced by the four grids also decreased in the same order. These findings conform with Taylor's theory of diffusion by continuous movements. Moreover, the present study demonstrates that the fractal space-scale unfolding (SSU) mechanism does not apply to grids with the same solidity but different effective mesh sizes. Supported by NSERC.

  14. Dynamic implicit 3D adaptive mesh refinement for non-equilibrium radiation diffusion

    SciTech Connect

    B. Philip; Z. Wang; M.A. Berrill; M. Birke; M. Pernice

    2014-04-01

    The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multi-physics systems: implicit time integration for efficient long term time integration of stiff multi-physics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton–Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

  15. Dynamic implicit 3D adaptive mesh refinement for non-equilibrium radiation diffusion

    NASA Astrophysics Data System (ADS)

    Philip, B.; Wang, Z.; Berrill, M. A.; Birke, M.; Pernice, M.

    2014-04-01

    The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multi-physics systems: implicit time integration for efficient long term time integration of stiff multi-physics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

  16. The effects of metallicity, UV radiation and non-equilibrium chemistry in high-resolution simulations of galaxies

    NASA Astrophysics Data System (ADS)

    Richings, A. J.; Schaye, Joop

    2016-05-01

    We present a series of hydrodynamic simulations of isolated galaxies with stellar mass of 109 M⊙. The models use a resolution of 750 M⊙ per particle and include a treatment for the full non-equilibrium chemical evolution of ions and molecules (157 species in total), along with gas cooling rates computed self-consistently using the non-equilibrium abundances. We compare these to simulations evolved using cooling rates calculated assuming chemical (including ionization) equilibrium, and we consider a wide range of metallicities and UV radiation fields, including a local prescription for self-shielding by gas and dust. We find higher star formation rates and stronger outflows at higher metallicity and for weaker radiation fields, as gas can more easily cool to a cold (few hundred Kelvin) star-forming phase under such conditions. Contrary to variations in the metallicity and the radiation field, non-equilibrium chemistry generally has no strong effect on the total star formation rates or outflow properties. However, it is important for modelling molecular outflows. For example, the mass of H2 outflowing with velocities {>}50 {km} {s}^{-1} is enhanced by a factor ˜20 in non-equilibrium. We also compute the observable line emission from C II and CO. Both are stronger at higher metallicity, while C II and CO emission are higher for stronger and weaker radiation fields, respectively. We find that C II is generally unaffected by non-equilibrium chemistry. However, emission from CO varies by a factor of ˜2-4. This has implications for the mean XCO conversion factor between CO emission and H2 column density, which we find is lowered by up to a factor ˜2.3 in non-equilibrium, and for the fraction of CO-dark molecular gas.

  17. Angularly Adaptive P1 - Double P0 Flux-Limited Diffusion Solutions of Non-Equilibrium Grey Radiative Transfer Problems

    SciTech Connect

    Brantley, P S

    2006-08-08

    The double spherical harmonics angular approximation in the lowest order, i.e. double P{sub 0} (DP{sub 0}), is developed for the solution of time-dependent non-equilibrium grey radiative transfer problems in planar geometry. Although the DP{sub 0} diffusion approximation is expected to be less accurate than the P{sub 1} diffusion approximation at and near thermodynamic equilibrium, the DP{sub 0} angular approximation can more accurately capture the complicated angular dependence near a non-equilibrium radiation wave front. In addition, the DP{sub 0} approximation should be more accurate in non-equilibrium optically thin regions where the positive and negative angular domains are largely decoupled. We develop an adaptive angular technique that locally uses either the DP{sub 0} or P{sub 1} flux-limited diffusion approximation depending on the degree to which the radiation and material fields are in thermodynamic equilibrium. Numerical results are presented for two test problems due to Su and Olson and to Ganapol and Pomraning for which semi-analytic transport solutions exist. These numerical results demonstrate that the adaptive P{sub 1}-DP{sub 0} diffusion approximation can yield improvements in accuracy over the standard P{sub 1} diffusion approximation, both without and with flux-limiting, for non-equilibrium grey radiative transfer.

  18. Angularly Adaptive P1-Double P0 Flux-Limited Diffusion Solutions of Non-Equilibrium Grey Radiative Transfer Problems

    SciTech Connect

    Brantley, P S

    2005-12-13

    The double spherical harmonics angular approximation in the lowest order, i.e. double P{sub 0} (DP{sub 0}), is developed for the solution of time-dependent non-equilibrium grey radiative transfer problems in planar geometry. Although the DP{sub 0} diffusion approximation is expected to be less accurate than the P{sub 1} diffusion approximation at and near thermodynamic equilibrium, the DP{sub 0} angular approximation can more accurately capture the complicated angular dependence near a non-equilibrium radiation wave front. In addition, the DP{sub 0} approximation should be more accurate in non-equilibrium optically thin regions where the positive and negative angular domains are largely decoupled. We develop an adaptive angular technique that locally uses either the DP{sub 0} or P{sub 1} flux-limited diffusion approximation depending on the degree to which the radiation and material fields are in thermodynamic equilibrium. Numerical results are presented for two test problems due to Su and Olson and to Ganapol and Pomraning for which semi-analytic transport solutions exist. These numerical results demonstrate that the adaptive P{sub 1}-DP{sub 0} diffusion approximation can yield improvements in accuracy over the standard P{sub 1} diffusion approximation, both without and with flux-limiting, for non-equilibrium grey radiative transfer.

  19. Angularly Adaptive P1--Double P0 Diffusion Solutions of Non-Equilibrium Grey Radiative Transfer Problems in Planar Geometry

    SciTech Connect

    Brantley, P S

    2005-06-06

    The double spherical harmonics angular approximation in the lowest order, i.e. double P{sub 0} (DP{sub 0}), is developed for the solution of time-dependent non-equilibrium grey radiative transfer problems in planar geometry. The standard P{sub 1} angular approximation represents the angular dependence of the radiation specific intensity using a linear function in the angular domain -1 {le} {mu} {le} 1. In contrast, the DP{sub 0} angular approximation represents the angular dependence as isotropic in each half angular range -1 {le} {mu} < 0 and 0 < {mu} {le} 1. Neglecting the time derivative of the radiation flux, both the P{sub 1} and DP{sub 0} equations can be written as a single diffusion equation for the radiation energy density. Although the DP{sub 0} diffusion approximation is expected to be less accurate than the P{sub 1} diffusion approximation at and near thermodynamic equilibrium, the DP{sub 0} angular approximation can more accurately capture the complicated angular dependence near the non-equilibrium wave front. We develop an adaptive angular technique that locally uses either the DP{sub 0} or the P{sub 1} diffusion approximation depending on the degree to which the radiation and material fields are in thermodynamic equilibrium. Numerical results are presented for a test problem due to Su and Olson for which a semi-analytic transport solution exists. The numerical results demonstrate that the adaptive P{sub 1}-DP{sub 0} diffusion approximation can yield improvements in accuracy over the standard P{sub 1} diffusion approximation for non-equilibrium grey radiative transfer.

  20. Non-equilibrium thermodynamics theory of econometric source discovery for large data analysis

    NASA Astrophysics Data System (ADS)

    van Bergem, Rutger; Jenkins, Jeffrey; Benachenhou, Dalila; Szu, Harold

    2014-05-01

    Almost all consumer and firm transactions are achieved using computers and as a result gives rise to increasingly large amounts of data available for analysts. The gold standard in Economic data manipulation techniques matured during a period of limited data access, and the new Large Data Analysis (LDA) paradigm we all face may quickly obfuscate most tools used by Economists. When coupled with an increased availability of numerous unstructured, multi-modal data sets, the impending 'data tsunami' could have serious detrimental effects for Economic forecasting, analysis, and research in general. Given this reality we propose a decision-aid framework for Augmented-LDA (A-LDA) - a synergistic approach to LDA which combines traditional supervised, rule-based Machine Learning (ML) strategies to iteratively uncover hidden sources in large data, the artificial neural network (ANN) Unsupervised Learning (USL) at the minimum Helmholtz free energy for isothermal dynamic equilibrium strategies, and the Economic intuitions required to handle problems encountered when interpreting large amounts of Financial or Economic data. To make the ANN USL framework applicable to economics we define the temperature, entropy, and energy concepts in Economics from non-equilibrium molecular thermodynamics of Boltzmann viewpoint, as well as defining an information geometry, on which the ANN can operate using USL to reduce information saturation. An exemplar of such a system representation is given for firm industry equilibrium. We demonstrate the traditional ML methodology in the economics context and leverage firm financial data to explore a frontier concept known as behavioral heterogeneity. Behavioral heterogeneity on the firm level can be imagined as a firm's interactions with different types of Economic entities over time. These interactions could impose varying degrees of institutional constraints on a firm's business behavior. We specifically look at behavioral

  1. Radiation-induced non-equilibrium redox chemistry of plutonium: implications for environmental migration

    SciTech Connect

    Haschke, J M; Siekhaus, W J

    2009-02-11

    Static concentrations of plutonium oxidation states in solution and at surfaces in oxide-water systems are identified as non-equilibrium steady states. These kinetically controlled systems are described by redox cycles based on irreversible disproportionation of Pu(IV), Pu(V), and Pu(VI) in OH-bridged intermediate complexes and at OH-covered oxide surfaces. Steady state is fixed by continuous redox cycles driven by radioactivity-promoted electron-transfer and energetically favorable reactions of Pu(III) and Pu(VII) disproportionation products with H2O. A model based on the redox cycles accounts for the high steady-state [Pu] coexisting with Pu(IV) hydrous oxide at pH 0-15 and for predominance of Pu(V) and Pu(VI) in solution. The steady-state [Pu] depends on pH and the surface area of oxide in solution, but not on the initial Pu oxidation state. PuO{sub 2+x} formation is attributed to high Pu(V) concentrations existing at water-exposed oxide surfaces. Results infer that migration of Pu in an aqueous environment is controlled by kinetic factors unique to that site and that the predominant oxidation states in solution are Pu(V) and Pu(VI).

  2. The non-equilibrium response of a superconductor to pair-breaking radiation measured over a broad frequency band

    SciTech Connect

    Visser, P. J. de; Yates, S. J. C.; Guruswamy, T.; Goldie, D. J.; Withington, S.; Neto, A.; Llombart, N.; Baryshev, A. M.; Klapwijk, T. M.; Baselmans, J. J. A.

    2015-06-22

    We have measured the absorption of terahertz radiation in a BCS superconductor over a broad range of frequencies from 200 GHz to 1.1 THz, using a broadband antenna-lens system and a tantalum microwave resonator. From low frequencies, the response of the resonator rises rapidly to a maximum at the gap edge of the superconductor. From there on, the response drops to half the maximum response at twice the pair-breaking energy. At higher frequencies, the response rises again due to trapping of pair-breaking phonons in the superconductor. In practice, this is a measurement of the frequency dependence of the quasiparticle creation efficiency due to pair-breaking in a superconductor. The efficiency, calculated from the different non-equilibrium quasiparticle distribution functions at each frequency, is in agreement with the measurements.

  3. High Order Well-Balanced Schemes and Applications to Non-Equilibrium Flow with Stiff Source Terms

    SciTech Connect

    Wang, W; Shu, C; Yee, H C; Sjogreen, B

    2009-01-14

    The stiffness of the source terms in modeling non-equilibrium flow problems containing finite-rate chemistry or combustion poses additional numerical difficulties beyond that for solving non-reacting flows. A well-balanced scheme, which can preserve certain non-trivial steady state solutions exactly, may help to resolve some of these difficulties. In this paper, a simple one dimensional non-equilibrium model with one temperature is considered. We first describe a general strategy to design high order well-balanced finite difference schemes and then study the well-balanced properties of high order finite difference weighted essentially non-oscillatory (WENO) scheme, modified balanced WENO schemes and various TVD schemes. The advantages of using a well-balanced scheme in preserving steady states and in resolving small perturbations of such states will be shown. Additional numerical examples are provided to verify the good resolution, in addition to the well-balancedness, for both smooth and discontinuous solutions as well.

  4. SHARC, A Model for Calculating Atmospheric and Infrared Radiation Under Non-Equilibrium Conditions

    DTIC Science & Technology

    1994-01-24

    0 Is ’ I E U L b) U0 -cc ccI U . 1250 1350 1450 1550 FRIEQUENCY (cm-1) Figure 4. Quiescent Nighttime Limb Spectrum from the CIRRS-1A ExperimentO ...1974). 27. C.B. Ludwig, W. Malkmus, J.E. Reardon, and J.A. Thomson , Handbook of Infrared Radiation From Combustion Gases, SP-3080, Scientific and

  5. Non-equilibrium radiation during SiC-CO2 plasma interaction

    NASA Astrophysics Data System (ADS)

    Brémare, Noémie; Jouen, Samuel; Boubert, Pascal

    2016-04-01

    The radiation of a pure CO2 inductive plasma was recorded between 190 and 920 nm during its interaction with a SiC sample under a pressure equal to 6 kPa and an estimated global specific enthalpy close to 12 MJ kg-1. The plasma electronic excitation was found to be out of equilibrium. The main radiators were found to be O, C, C2 and, mainly, CO. The radiation is especially significant where the plasma chemically interacts with the material revealing a stronger electronic excitation close to the surface. Excitation temperatures were also found to increase in the chemical boundary layer, which is four times smaller than the thermal boundary layer. This raises questions about the energy exchange processes of the excited states and about chemical behaviour independent of their respective ground states. The surface is found to be covered by an inhomogeneous silica layer revealing a passive oxidation, but also by bubble structures, indicative of the transition towards active oxidation. The surface temperature is estimated to be 1800-1900 K. Raman spectroscopy measurements on the surface and optical spectroscopy measurements in the boundary layer provide proof of carbon production coming from the SiC.

  6. Non-equilibrium radiation of water vapor and retrieval of H2O in the mesosphere and lower thermosphere.

    NASA Astrophysics Data System (ADS)

    Manuilova, Rada; Feofilov, Artem; Kutepov, Alexander; Yankovsky, Valentine

    2015-04-01

    In the study the modern investigations of vibrational kinetics of H2O molecule in the middle atmosphere and development of the models of non-equilibrium radiation of water vapor in the IR ro-vibrational bands are discussed. Our model accounts for 13 excited vibrational states up to energies 7445 1/cm. In this model, 54 vibrational-translational (V-T) and vibrational-vibrational (V-V) processes of energy exchange at collisions of H2O with N2, O2 and O, which are important at the atmospheric conditions, were taken into account. Different variants of possible values of the rate constants of non-elastic collisional processes were analyzed considering the experimental data. Our consideration of the source of excitation of the first vibrational level H2O(010) due to quasiresonance energy transfer between the first vibrational levels of O2 and H2O molecules is based on the YM-2011 model of electronic-vibrational kinetics of excited products of ozone and oxygen photolysis in the mesosphere and lower thermosphere (MLT). In the model we solved the system of 45 kinetic equations for populations of electronically-vibrationally excited levels of oxygen molecule and excited oxygen atom O(1D). Using the YM-2011 model of electronic-vibrational kinetics of excited products of ozone and oxygen photolysis in the MLT and the model of vibrational kinetics of H2O molecule which has been developed enables us to retrieve altitude profiles of H2O concentrations from the measurements of 6.3 mkm H2O radiance in SABER/TIMED experiment. Currently, the experimental data for the processes of (V-T) and (V-V) energy exchanges occurring at the collisions with atmospheric molecules and atoms are available only for the transitions involving the lowest vibrational levels. In our 14-level model (the upper levels are 002, 101, 200) and in the latest 25-level model, which utilizes 21 levels of the main isotope molecule up to 050, 031, 130, 210 and 012 at 9000 1/cm, and also in all former models, it was

  7. Atomic Resonance Radiation Energetics Investigation as a Diagnostic Method for Non-Equilibrium Hypervelocity Flows

    NASA Technical Reports Server (NTRS)

    Meyer, Scott A.; Bershader, Daniel; Sharma, Surendra P.; Deiwert, George S.

    1996-01-01

    Absorption measurements with a tunable vacuum ultraviolet light source have been proposed as a concentration diagnostic for atomic oxygen, and the viability of this technique is assessed in light of recent measurements. The instrumentation, as well as initial calibration measurements, have been reported previously. We report here additional calibration measurements performed to study the resonance broadening line shape for atomic oxygen. The application of this diagnostic is evaluated by considering the range of suitable test conditions and requirements, and by identifying issues that remain to be addressed.

  8. Non-equilibrium degassing and a primordial source for helium in ocean-island volcanism.

    PubMed

    Gonnermann, Helge M; Mukhopadhyay, Sujoy

    2007-10-25

    Radioactive decay of uranium and thorium produces 4He, whereas 3He in the Earth's mantle is not produced by radioactive decay and was only incorporated during accretion-that is, it is primordial. 3He/4He ratios in many ocean-island basalts (OIBs) that erupt at hotspot volcanoes, such as Hawaii and Iceland, can be up to sixfold higher than in mid-ocean ridge basalts (MORBs). This is inferred to be the result of outgassing by melt production at mid-ocean ridges in conjunction with radiogenic ingrowth of 4He, which has led to a volatile-depleted upper mantle (MORB source) with low 3He concentrations and low 3He/4He ratios. Consequently, high 3He/4He ratios in OIBs are conventionally viewed as evidence for an undegassed, primitive mantle source, which is sampled by hot, buoyantly upwelling deep-mantle plumes. However, this conventional model provides no viable explanation of why helium concentrations and elemental ratios of He/Ne and He/Ar in OIBs are an order of magnitude lower than in MORBs. This has been described as the 'helium concentration paradox' and has contributed to a long-standing controversy about the structure and dynamics of the Earth's mantle. Here we show that the helium concentration paradox, as well as the full range of noble-gas concentrations observed in MORB and OIB glasses, can self-consistently be explained by disequilibrium open-system degassing of the erupting magma. We show that a higher CO2 content in OIBs than in MORBs leads to more extensive degassing of helium in OIB magmas and that noble gases in OIB lavas can be derived from a largely undegassed primitive mantle source.

  9. Pulse-Periodic Regimes of Kinetic Instabilities in the Non-Equilibrium Plasma of an Electron Cyclotron Resonance Discharge Maintained by Continuous-Wave Radiation of a 24 GHz Gyrotron

    NASA Astrophysics Data System (ADS)

    Mansfeld, D. A.; Viktorov, M. E.; Vodopyanov, A. V.

    2017-01-01

    We have experimentally discovered an instability, which manifests itself as precipitations of hot electrons occurring synchronously with generation of bursts of electromagnetic radiation, in the plasma of an electron cyclotron resonance discharge maintained by a high-power, continuous-wave radiation of a 24 GHz gyrotron, for the first time. The observed instability has the kinetic nature and is determined by the formation of the non-equilibrium velocity distribution of hot particles. Two possible explanations are proposed for the mechanism of wave excitation in a two-component plasma with a stationary source of non-equilibrium particles. The results of the studies performed are of interest for modeling of the dynamics of magnetospheric cyclotron masers.

  10. Non-Equilibrium Radiation Calculations Behind Shock Waves in CO2-N2 Mixtures- Rebuilding of TC2 Mars Test Cases

    NASA Astrophysics Data System (ADS)

    Bremare, Noemie, Hyun, Seong-Yoon; Boubert, Pascal

    2011-02-01

    Three shock tube test cases are presented for Martian gas mixture. The first one, called TC2-M1, corresponds to experiments carried out on the electric arc shock tube (EAST) at NASA Ames Research Center. The second test case, called TC2-M2c, corresponds to experiments carried out in the free piston shock tube (TC2M2) at the University of Provence. The last one, called TC2- M4, corresponds to experiments planned to be carried out in shock tube facilities in Russia (MIPT), the USA (NASA) and Australia (University of Queensland). Euler equations are solved to determined the properties of non- equilibrium reacting flows behind normal shock waves produced in shock tubes. Two different kinetic models (RHTG and STMARS) and two radiation codes (PASTIS and SPRADIAN07) are used in order to predict the radiative flux densities emitted from main radiative systems: CO(4+), CN violet, C2 Swan, CN red of CO2-N2 mixtures. For chemical kinetics, a multi-temperature model, called RHTG model, and a two temperatures (2T) model, named STMARS model, are used. For the 2T model, the temperature behind the shock wave is assumed to be equal to rotational temperature and the vibrational temperature corresponds to the electronic one. For physical models, results of the STMARS model are used to predict radiation, and in order to do that, a simple form of the radiative transfer equation is solved.

  11. TRHD: Three-temperature radiation-hydrodynamics code with an implicit non-equilibrium radiation transport using a cell-centered monotonic finite volume scheme on unstructured-grids

    NASA Astrophysics Data System (ADS)

    Sijoy, C. D.; Chaturvedi, S.

    2015-05-01

    Three-temperature (3T), unstructured-mesh, non-equilibrium radiation hydrodynamics (RHD) code have been developed for the simulation of intense thermal radiation or high-power laser driven radiative shock hydrodynamics in two-dimensional (2D) axis-symmetric geometries. The governing hydrodynamics equations are solved using a compatible unstructured Lagrangian method based on a control volume differencing (CVD) scheme. A second-order predictor-corrector (PC) integration scheme is used for the temporal discretization of the hydrodynamics equations. For the radiation energy transport, frequency averaged gray model is used in which the flux-limited diffusion (FLD) approximation is used to recover the free-streaming limit of the radiation propagation in optically thin regions. The proposed RHD model allows to have different temperatures for the electrons and ions. In addition to this, the electron and thermal radiation temperatures are assumed to be in non-equilibrium. Therefore, the thermal relaxation between the electrons and ions and the coupling between the radiation and matter energies are required to be computed self-consistently. For this, the coupled flux limited electron heat conduction and the non-equilibrium radiation diffusion equations are solved simultaneously by using an implicit, axis-symmetric, cell-centered, monotonic, nonlinear finite volume (NLFV) scheme. In this paper, we have described the details of the 2D, 3T, non-equilibrium RHD code developed along with a suite of validation test problems to demonstrate the accuracy and performance of the algorithms. We have also conducted a performance analysis with different linearity preserving interpolation schemes that are used for the evaluation of the nodal values in the NLFV scheme. Finally, in order to demonstrate full capability of the code implementation, we have presented the simulation of laser driven thin Aluminum (Al) foil acceleration. The simulation results are found to be in good agreement

  12. RADIATION SOURCES

    DOEpatents

    Brucer, M.H.

    1958-04-15

    A novel long-lived source of gamma radiation especially suitable for calibration purposes is described. The source of gamma radiation is denoted mock iodine131, which comprises a naixture of barium-133 and cesium-137. The barium and cesium are present in a barium-cesium ratio of approximately 5.7/1 to 14/1, uniformly dispersed in an ion exchange resin and a filter surrounding the resin comprised of a material of atomic number below approximately 51, and substantially 0.7 to 0.9 millimeter thick.

  13. Inactivation effects of neutral reactive-oxygen species on Penicillium digitatum spores using non-equilibrium atmospheric-pressure oxygen radical source

    NASA Astrophysics Data System (ADS)

    Hashizume, Hiroshi; Ohta, Takayuki; Fengdong, Jia; Takeda, Keigo; Ishikawa, Kenji; Hori, Masaru; Ito, Masafumi

    2013-10-01

    The effectiveness of atomic and excited molecular oxygen species at inactivating Penicillium digitatum spores was quantitatively investigated by measuring these species and evaluating the spore inactivation rate. To avoid the effects of ultraviolet light and charged species, a non-equilibrium atmospheric-pressure radical source, which supplies only neutral radicals, was employed. Ground-state atomic oxygen (O(3Pj)) and excited molecular oxygen (O2(1Δg)) species were measured using vacuum ultraviolet absorption spectroscopy. The inactivation rate of spores was evaluated using the colony count method. The lifetimes of O(3Pj) and O2(1Δg) in an argon gas ambient at atmospheric pressure were found to be about 0.5 ms and much more than tens of ms, and their spore inactivation rates were about 10-17 cm3 s-1 and much lower than 10-21 cm3 s-1, respectively.

  14. Order Parameter and Kinetics of Non-Equilibrium Phase Transition Stimulated by the Impact of Volumetric Heat Source

    NASA Astrophysics Data System (ADS)

    Slyadnikov, E. E.; Turchanovskii, I. Yu.

    2017-01-01

    The authors formulated an understanding of the order parameter and built a kinetic model for the nonequilibrium first-order "solid body - liquid" phase transition stimulated by the impact of the volumetric heat source. Analytical solutions for kinetic equations were found, and it was demonstrated that depending on the phase transition rate "surface" and "bulk" melting mechanisms are implemented.

  15. SU-E-T-512: Intrinsic Characteristics of the Nine Detectors and Evaluation of Their Performance in Non-Equilibrium Radiation Dosimetry

    SciTech Connect

    Markovic, M; Stathakis, S; Jurkovic, I; Papanikolaou, N; Mavroidis, P

    2015-06-15

    Purpose The aim for the study was to compare intrinsic characteristics of the nine detectors and evaluate their performance in non-equilibrium radiation dosimetry. Methods The intrinsic characteristics of the nine detectors that were evaluated are based on the composition and size of the active volume, operating voltage, initial recombination of the collected charge, temperature, the effective cross section of the detectors. The shortterm stability and collection efficiency has been investigated. The minimum radiation detection sensitivity and detectors leakage current has been measured. The sensitivity to changes in energy spectrum as well as change in incident beam angles were measured an analyzed. Results The short-term stability of the measurements within every detector showed consistency in the measured values with the highest value of the standard deviation of the mean not exceeding 0.5%. Air ion chamber detectors showed minimum sensitivity to change in incident beam angles while diode detectors underestimated measurements up to 16%. Comparing the slope of the tangents for detector’s sensitivity curve, diode detectors illustrate more sensitivity to change in photon spectrum than ion chamber detectors. The change in radiation detection sensitivity with increase in dose delivered has been observed for semiconductor detectors with maximum deviation 0.01% for doses between 1 Gy and 10 Gy. Leakage current has been mainly influenced by bias voltage (ion chamber detectors) and room light intensity (diode detectors). With dose per pulse varying from 1.47E−4 to 5.1E−4 Gy/pulse the maximum change in collection efficiency was 1.4% for the air ion chambers up to 8% for liquid filled ion chamber. Conclusion Broad range of measurements performed showed all the detectors susceptible to some limitations and while they are suitable for use in broad scope of applications, careful selection has to be made for particular range of measurements.

  16. Non-Equilibrium Molecular Dynamics

    NASA Astrophysics Data System (ADS)

    Ciccotti, Giovanni; Kapral, Raymond; Sergi, Alessandro

    Statistical mechanics provides a well-established link between microscopic equilibrium states and thermodynamics. If one considers systems out of equilibrium, the link between microscopic dynamical properties and non-equilibrium macroscopic states is more difficult to establish [1,2]. For systems lying near equilibrium, linear response theory provides a route to derive linear macroscopic laws and the microscopic expressions for the transport properties that enter the constitutive relations. If the system is displaced far from equilibrium, no fully general theory exists to treat such systems. By restricting consideration to a class of non-equilibrium states which arise from perturbations (linear or non-linear) of an equilibrium state, methods can be developed to treat non-equilibrium states. Furthermore, non-equilibrium molecular dynamics (NEMD) simulation methods can be devised to provide estimates for the transport properties of these systems.

  17. Non-equilibrium supramolecular polymerization.

    PubMed

    Sorrenti, Alessandro; Leira-Iglesias, Jorge; Markvoort, Albert J; de Greef, Tom F A; Hermans, Thomas M

    2017-03-28

    Supramolecular polymerization has been traditionally focused on the thermodynamic equilibrium state, where one-dimensional assemblies reside at the global minimum of the Gibbs free energy. The pathway and rate to reach the equilibrium state are irrelevant, and the resulting assemblies remain unchanged over time. In the past decade, the focus has shifted to kinetically trapped (non-dissipative non-equilibrium) structures that heavily depend on the method of preparation (i.e., pathway complexity), and where the assembly rates are of key importance. Kinetic models have greatly improved our understanding of competing pathways, and shown how to steer supramolecular polymerization in the desired direction (i.e., pathway selection). The most recent innovation in the field relies on energy or mass input that is dissipated to keep the system away from the thermodynamic equilibrium (or from other non-dissipative states). This tutorial review aims to provide the reader with a set of tools to identify different types of self-assembled states that have been explored so far. In particular, we aim to clarify the often unclear use of the term "non-equilibrium self-assembly" by subdividing systems into dissipative, and non-dissipative non-equilibrium states. Examples are given for each of the states, with a focus on non-dissipative non-equilibrium states found in one-dimensional supramolecular polymerization.

  18. Topologically protected modes in non-equilibrium stochastic systems

    PubMed Central

    Murugan, Arvind; Vaikuntanathan, Suriyanarayanan

    2017-01-01

    Non-equilibrium driving of biophysical processes is believed to enable their robust functioning despite the presence of thermal fluctuations and other sources of disorder. Such robust functions include sensory adaptation, enhanced enzymatic specificity and maintenance of coherent oscillations. Elucidating the relation between energy consumption and organization remains an important and open question in non-equilibrium statistical mechanics. Here we report that steady states of systems with non-equilibrium fluxes can support topologically protected boundary modes that resemble similar modes in electronic and mechanical systems. Akin to their electronic and mechanical counterparts, topological-protected boundary steady states in non-equilibrium systems are robust and are largely insensitive to local perturbations. We argue that our work provides a framework for how biophysical systems can use non-equilibrium driving to achieve robust function. PMID:28071644

  19. Topologically protected modes in non-equilibrium stochastic systems

    NASA Astrophysics Data System (ADS)

    Murugan, Arvind; Vaikuntanathan, Suriyanarayanan

    2017-01-01

    Non-equilibrium driving of biophysical processes is believed to enable their robust functioning despite the presence of thermal fluctuations and other sources of disorder. Such robust functions include sensory adaptation, enhanced enzymatic specificity and maintenance of coherent oscillations. Elucidating the relation between energy consumption and organization remains an important and open question in non-equilibrium statistical mechanics. Here we report that steady states of systems with non-equilibrium fluxes can support topologically protected boundary modes that resemble similar modes in electronic and mechanical systems. Akin to their electronic and mechanical counterparts, topological-protected boundary steady states in non-equilibrium systems are robust and are largely insensitive to local perturbations. We argue that our work provides a framework for how biophysical systems can use non-equilibrium driving to achieve robust function.

  20. Topologically protected modes in non-equilibrium stochastic systems.

    PubMed

    Murugan, Arvind; Vaikuntanathan, Suriyanarayanan

    2017-01-10

    Non-equilibrium driving of biophysical processes is believed to enable their robust functioning despite the presence of thermal fluctuations and other sources of disorder. Such robust functions include sensory adaptation, enhanced enzymatic specificity and maintenance of coherent oscillations. Elucidating the relation between energy consumption and organization remains an important and open question in non-equilibrium statistical mechanics. Here we report that steady states of systems with non-equilibrium fluxes can support topologically protected boundary modes that resemble similar modes in electronic and mechanical systems. Akin to their electronic and mechanical counterparts, topological-protected boundary steady states in non-equilibrium systems are robust and are largely insensitive to local perturbations. We argue that our work provides a framework for how biophysical systems can use non-equilibrium driving to achieve robust function.

  1. RADIATION SOURCE

    DOEpatents

    Gow, J.D.

    1961-06-27

    An improved version of a crossed electric and magnetic field plasma producing and containing device of the general character disclosed in U. S. Patent No. 2,967,943 is described. This device employs an annular magnet encased within an anode and a pair of cathodes respectively coaxially spaced from the opposite ends of the anode to establish crossed field electron trapping regions adjacent the ends of the anode. The trapping regions are communicably connected through the throat of the anode and the electric field negatively increases in opposite axial directions from the center of the throat. Electrons are trapped within the two trapping regions and throat to serve as a source of intense ionization to gas introduced thereto, the ions in copious quantities being attracted to the cathodes to bombard neutron productive targets dlsposed - thereat.

  2. Radiation source

    DOEpatents

    Thode, Lester E.

    1981-01-01

    A device and method for relativistic electron beam heating of a high-density plasma in a small localized region. A relativistic electron beam generator or accelerator produces a high-voltage electron beam which propagates along a vacuum drift tube and is modulated to initiate electron bunching within the beam. The beam is then directed through a low-density gas chamber which provides isolation between the vacuum modulator and the relativistic electron beam target. The relativistic beam is then applied to a high-density target plasma which typically comprises DT, DD, or similar thermonuclear gas at a density of 10.sup.17 to 10.sup.20 electrons per cubic centimeter. The target gas is ionized prior to application of the relativistic electron beam by means of a laser or other preionization source to form a plasma. Utilizing a relativistic electron beam with an individual particle energy exceeding 3 MeV, classical scattering by relativistic electrons passing through isolation foils is negligible. As a result, relativistic streaming instabilities are initiated within the high-density target plasma causing the relativistic electron beam to efficiently deposit its energy into a small localized region of the high-density plasma target.

  3. Open problems in non-equilibrium physics

    SciTech Connect

    Kusnezov, D.

    1997-09-22

    The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions.

  4. Local non-equilibrium thermodynamics

    PubMed Central

    Jinwoo, Lee; Tanaka, Hajime

    2015-01-01

    Local Shannon entropy lies at the heart of modern thermodynamics, with much discussion of trajectory-dependent entropy production. When taken at both boundaries of a process in phase space, it reproduces the second law of thermodynamics over a finite time interval for small scale systems. However, given that entropy is an ensemble property, it has never been clear how one can assign such a quantity locally. Given such a fundamental omission in our knowledge, we construct a new ensemble composed of trajectories reaching an individual microstate, and show that locally defined entropy, information, and free energy are properties of the ensemble, or trajectory-independent true thermodynamic potentials. We find that the Boltzmann-Gibbs distribution and Landauer's principle can be generalized naturally as properties of the ensemble, and that trajectory-free state functions of the ensemble govern the exact mechanism of non-equilibrium relaxation. PMID:25592077

  5. Non-equilibrium quantum heat machines

    NASA Astrophysics Data System (ADS)

    Alicki, Robert; Gelbwaser-Klimovsky, David

    2015-11-01

    Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound.

  6. Line-by-line radiative excitation model for the non-equilibrium atmosphere: Application to CO[sub 2] 15-[mu]m emission

    SciTech Connect

    Wintersteiner, P.P. ); Picard, R.H.; Sharma, R.D.; Winick, J.R. )

    1992-11-20

    We describe a new line-by-line (LBL) algorithm for radiative excitation in infrared bands in a non-local thermodynamic equilibrium (non-LTE) planetary atmosphere. Specifically, we present a predictive model for the terrestrial CO[sub 2] 15[mu]m emission that incorporates this generic algorithm, and validate the model by comparing its results with emission spectra obtained in a limb-scanning rocket experiment. The unique features of the reactive-excitation algorithm are discussed in this paper. These features contribute to accurate radiative transfer results and reliable atmospheric cooling rates. For altitudes above 40 km, we present results of model calculations of CO[sub 2]([nu][sub 2]) vibrational temperatures, 15-[mu]m limb spectral radiances, and cooling rates, for the main band and for weaker hot and isotopic bands. We calculate the excitation and deexcitation rates due to different processes. We compare the predicted limb radiance with earthlimb spectral scans obtained in the SPIRE rocket experiment over Poker Flat, Alaska, and get excellent agreement as a function of both wavelength and tangent height. This constitutes the first validation of a long-wavelength CO[sub 2] non-LTE emission model using an actual atmospheric data set and verifies the existence of certain aeronomic features that have only been predicted by models and constrains the previously unknown value of the very important rate constant for deactivation of the CO[sub 2] bending mode by atomic oxygen to the range of 5-6 [times] 10[sup [minus]12] cm[sup 3]/(mol s) at mesospheric and lower thermospheric temperatures. We discuss the significance of this large value for terrestrial and Venusian thermospheres and the convergence rate of the iterative scheme, the model's sensitivity to the background atmosphere, the importance of the lower boundary surface contribution, and the effects of the choice of the layer thickness and the neglect of line overlap. 86 refs., 20 figs., 5 tabs.

  7. Modeling of thermal and chemical non-equilibrium in a laser-induced aluminum plasma by means of a Collisional-Radiative model

    NASA Astrophysics Data System (ADS)

    Morel, V.; Bultel, A.; Chéron, B. G.

    2010-09-01

    A 0D numerical approach including a Collisional-Radiative model is elaborated in the purpose of describing the behavior of the nascent plasma resulting from the interaction between a 4 ns/65 mJ/532 nm Q-switched Nd:YAG laser pulse and an aluminum sample in vacuum. The heavy species considered are Al, Al +, Al 2+ and Al 3+ on their different excited states and free electrons. The translation temperatures of free electrons and heavy species are assumed different ( T e and TA respectively). Numerous elementary processes are accounted for as electron impact induced excitation and ionization, elastic collisions, multiphoton ionization and inverse Bremsstrahlung. Atoms passing from the sample to gas phase are described by using classical vaporization theory so that the surface temperature is arbitrarily limited to values less than the critical point one at 6700 K. The laser flux density considered in the study is therefore moderate with a fluence lower than 7 J cm - 2 . This model puts forward the major influence of multiphoton ionization in the plasma formation, whereas inverse Bremsstrahlung turns out to be quasi negligible. The increase of electron temperature is mainly due to multiphoton ionization and Te does not exceed 10,000 K. The electron induced collisions play an important role during the subsequent phase which corresponds to the relaxation of the excited states toward Boltzmann equilibrium. The electron density reaches its maximum during the laser pulse with a value ≈ 10 22, 10 23 m - 3 depending highly on the sample temperature. The ionization degree is of some percents in our conditions.

  8. Radiation Source Replacement Workshop

    SciTech Connect

    Griffin, Jeffrey W.; Moran, Traci L.; Bond, Leonard J.

    2010-12-01

    This report summarizes a Radiation Source Replacement Workshop in Houston Texas on October 27-28, 2010, which provided a forum for industry and researchers to exchange information and to discuss the issues relating to replacement of AmBe, and potentially other isotope sources used in well logging.

  9. Aerospace Applications of Non-Equilibrium Plasma

    NASA Technical Reports Server (NTRS)

    Blankson, Isaiah M.

    2016-01-01

    Nonequilibrium plasma/non-thermal plasma/cold plasmas are being used in a wide range of new applications in aeronautics, active flow control, heat transfer reduction, plasma-assisted ignition and combustion, noise suppression, and power generation. Industrial applications may be found in pollution control, materials surface treatment, and water purification. In order for these plasma processes to become practical, efficient means of ionization are necessary. A primary challenge for these applications is to create a desired non-equilibrium plasma in air by preventing the discharge from transitioning into an arc. Of particular interest is the impact on simulations and experimental data with and without detailed consideration of non-equilibrium effects, and the consequences of neglecting non-equilibrium. This presentation will provide an assessment of the presence and influence of non-equilibrium phenomena for various aerospace needs and applications. Specific examples to be considered will include the forward energy deposition of laser-induced non-equilibrium plasmoids for sonic boom mitigation, weakly ionized flows obtained from pulsed nanosecond discharges for an annular Hall type MHD generator duct for turbojet energy bypass, and fundamental mechanisms affecting the design and operation of novel plasma-assisted reactive systems in dielectric liquids (water purification, in-pipe modification of fuels, etc.).

  10. Non-Equilibrium Ionization Modeling of Coronal Mass Ejections

    NASA Astrophysics Data System (ADS)

    Rimple, Remington; Murphy, Nicholas Arnold; Shen, Chengcai

    2017-01-01

    Coronal Mass Ejections, or CMEs, are solar events that eject plasma and magnetic flux into interplanetary space. Contemporary sources have noted that the onset of CMEs are caused by some instability of the coronal magnetic field, and further allows heating of plasma upon expansion. Additionally, plasma that leaves the lower solar corona does not remain in ionization equilibrium due to the rapid expansion of plasma. We investigate the evolution of charge states of CME plasma using non-equilibrium ionization (NEI) modeling. These NEI models include radiative cooling and serve as baseline studies for special cases where no heat is being added to the plasma. Each of the simulated CMEs have initial conditions characteristic of active regions. Various function inputs, such as initial temperature, density and final velocity, allow us to examine the influence of certain parameters on the charge state evolution. The results of our project show that plasma originating from active regions display charge state evolutions substantially dependent on initial density and temperature. The CMEs starting with higher plasma density often show an abundance of lower charge states above the freeze-in height. Simulations starting from higher temperatures often show abundance peaks at charge states with closed electron shells.

  11. On source radiation

    NASA Technical Reports Server (NTRS)

    Levine, H.

    1980-01-01

    The power output from given sources is usually ascertained via an energy flux integral over the normal directions to a remote (far field) surface; an alternative procedure, which utilizes an integral that specifies the direct rate of working by the source on the resultant field, is described and illustrated for both point and continuous source distribution. A comparison between the respective procedures is made in the analysis of sound radiated from a periodic dipole source whose axis performs a periodic plane angular movement about a fixed direction. Thus, adopting a conventional approach, Sretenskii (1956) characterizes the rotating dipole in terms of an infinite number of stationary ones along a pari of orthogonal directions in the plane, and through the far field representation of the latter, arrives at a series development for the instantaneous radiated power, whereas the local manner of power calculation dispenses with the equivalent infinite aggregate of sources and yields a compact analytical result.

  12. Tailoring non-equilibrium atmospheric pressure plasmas for healthcare technologies

    NASA Astrophysics Data System (ADS)

    Gans, Timo

    2012-10-01

    Non-equilibrium plasmas operated at ambient atmospheric pressure are very efficient sources for energy transport through reactive neutral particles (radicals and metastables), charged particles (ions and electrons), UV radiation, and electro-magnetic fields. This includes the unique opportunity to deliver short-lived highly reactive species such as atomic oxygen and atomic nitrogen. Reactive oxygen and nitrogen species can initiate a wide range of reactions in biochemical systems, both therapeutic and toxic. The toxicological implications are not clear, e.g. potential risks through DNA damage. It is anticipated that interactions with biological systems will be governed through synergies between two or more species. Suitable optimized plasma sources are improbable through empirical investigations. Quantifying the power dissipation and energy transport mechanisms through the different interfaces from the plasma regime to ambient air, towards the liquid interface and associated impact on the biological system through a new regime of liquid chemistry initiated by the synergy of delivering multiple energy carrying species, is crucial. The major challenge to overcome the obstacles of quantifying energy transport and controlling power dissipation has been the severe lack of suitable plasma sources and diagnostic techniques. Diagnostics and simulations of this plasma regime are very challenging; the highly pronounced collision dominated plasma dynamics at very small dimensions requires extraordinary high resolution - simultaneously in space (microns) and time (picoseconds). Numerical simulations are equally challenging due to the inherent multi-scale character with very rapid electron collisions on the one extreme and the transport of chemically stable species characterizing completely different domains. This presentation will discuss our recent progress actively combining both advance optical diagnostics and multi-scale computer simulations.

  13. Non-equilibrium spatial dynamics of ecosystems.

    PubMed

    Guichard, Frederic; Gouhier, Tarik C

    2014-09-01

    Ecological systems show tremendous variability across temporal and spatial scales. It is this variability that ecologists try to predict and that managers attempt to harness in order to mitigate risk. However, the foundations of ecological science and its mainstream agenda focus on equilibrium dynamics to describe the balance of nature. Despite a rich body of literature on non-equilibrium ecological dynamics, we lack a well-developed set of predictions that can relate the spatiotemporal heterogeneity of natural systems to their underlying ecological processes. We argue that ecology needs to expand its current toolbox for the study of non-equilibrium ecosystems in order to both understand and manage their spatiotemporal variability. We review current approaches and outstanding questions related to the study of spatial dynamics and its application to natural ecosystems, including the design of reserves networks. We close by emphasizing the importance of ecosystem function as a key component of a non-equilibrium ecological theory, and of spatial synchrony as a central phenomenon for its inference in natural systems.

  14. Non-equilibrium Dynamics of DNA Nanotubes

    NASA Astrophysics Data System (ADS)

    Hariadi, Rizal Fajar

    Can the fundamental processes that underlie molecular biology be understood and simulated by DNA nanotechnology? The early development of DNA nanotechnology by Ned Seeman was driven by the desire to find a solution to the protein crystallization problem. Much of the later development of the field was also driven by envisioned applications in computing and nanofabrication. While the DNA nanotechnology community has assembled a versatile tool kit with which DNA nanostructures of considerable complexity can be assembled, the application of this tool kit to other areas of science and technology is still in its infancy. This dissertation reports on the construction of non-equilibrium DNA nanotube dynamic to probe molecular processes in the areas of hydrodynamics and cytoskeletal behavior. As the first example, we used DNA nanotubes as a molecular probe for elongational flow measurement in different micro-scale flow settings. The hydrodynamic flow in the vicinity of simple geometrical objects, such as a rigid DNA nanotube, is amenable to rigorous theoretical investigation. We measured the distribution of elongational flows produced in progressively more complex settings, ranging from the vicinity of an orifice in a microfluidic chamber to within a bursting bubble of Pacific ocean water. This information can be used to constrain theories on the origin of life in which replication involves a hydrodynamically driven fission process, such as the coacervate fission proposed by Oparin. A second theme of this dissertation is the bottom-up construction of a de novo artificial cytoskeleton with DNA nanotubes. The work reported here encompasses structural, locomotion, and control aspects of non-equilibrium cytoskeletal behavior. We first measured the kinetic parameters of DNA nanotube assembly and tested the accuracy of the existing polymerization models in the literature. Toward recapitulation of non-equilibrium cytoskeletal dynamics, we coupled the polymerization of DNA

  15. In command of non-equilibrium.

    PubMed

    Roduner, Emil; Radhakrishnan, Shankara Gayathri

    2016-05-21

    The second law of thermodynamics is well known for determining the direction of spontaneous processes in the laboratory, life and the universe. It is therefore often called the arrow of time. Less often discussed but just as important is the effect of kinetic barriers which intercept equilibration and preserve highly ordered, high energy non-equilibrium states. Examples of such states are many modern materials produced intentionally for technological applications. Furthermore, all living organisms fuelled directly by photosynthesis and those fuelled indirectly by living on high energy nutrition represent preserved non-equilibrium states. The formation of these states represents the local reversal of the arrow of time which only seemingly violates the second law. It has been known since the seminal work of Prigogine that the stabilisation of these states inevitably requires the dissipation of energy in the form of waste heat. It is this feature of waste heat dissipation following the input of energy that drives all processes occurring at a non-zero rate. Photosynthesis, replication of living organisms, self-assembly, crystal shape engineering and distillation have this principle in common with the well-known Carnot cycle in the heat engine. Drawing on this analogy, we subsume these essential and often sophisticated driven processes under the term machinery of life.

  16. Non-equilibrium many body dynamics

    SciTech Connect

    Creutz, M.; Gyulassy, M.

    1997-09-22

    This Riken BNL Research Center Symposium on Non-Equilibrium Many Body Physics was held on September 23-25, 1997 as part of the official opening ceremony of the Center at Brookhaven National Lab. A major objective of theoretical work at the center is to elaborate on the full spectrum of strong interaction physics based on QCD, including the physics of confinement and chiral symmetry breaking, the parton structure of hadrons and nuclei, and the phenomenology of ultra-relativistic nuclear collisions related to the up-coming experiments at RHIC. The opportunities and challenges of nuclear and particle physics in this area naturally involve aspects of the many body problem common to many other fields. The aim of this symposium was to find common theoretical threads in the area of non-equilibrium physics and modern transport theories. The program consisted of invited talks on a variety topics from the fields of atomic, condensed matter, plasma, astrophysics, cosmology, and chemistry, in addition to nuclear and particle physics. Separate abstracts have been indexed into the database for contributions to this workshop.

  17. Turbulence modeling for non-equilibrium flow

    NASA Technical Reports Server (NTRS)

    Durbin, P. A.

    1995-01-01

    The work performed during this year has involved further assessment and extension of the k-epsilon-v(exp 2) model, and initiation of work on scalar transport. The latter is introduced by the contribution of Y. Shabany to this volume. Flexible, computationally tractable models are needed for engineering CFD. As computational technology has progressed, the ability and need to use elaborate turbulence closure models has increased. The objective of our work is to explore and develop new analytical frameworks that might extend the applicability of the modeling techniques. In past years the development of a method for near-wall modeling was described. The method has been implemented into a CFD code and its viability has been demonstrated by various test cases. Further tests are reported herein. Non-equilibrium near-wall models are needed for some heat transfer applications. Scalar transport seems generally to be more sensitive to non-equilibrium effects than is momentum transport. For some applications turbulence anisotropy plays a role and an estimate of the full Reynolds stress tensor is needed. We have begun work on scalar transport per se, but in this brief I will only report on an extension of the k-epsilon-v(exp 2) model to predict the Reynolds stress tensor.

  18. An intense radiation source

    NASA Astrophysics Data System (ADS)

    Mckeown, J.; Labrie, J.-P.; Funk, L. W.

    1985-05-01

    A 10 MeV linear accelerator operating at 100% duty factor has been designed for large radiation processing applications. A beam intensity of 50 mA has the capacity to irradiate up to 1.3 MGy-Mg/h (130 Mrad-tonne/h) making it suitable for emerging applications in bulk food irradiation and waste treatment. An ability to provide high dose rate makes on-line detoxification of industrial pollutants possible. The source can compete economically with steam-based processes, such as the degradation of cellulosic materials for the production of chemicals and liquid fuels, hence new industrial applications are expected. The paper describes the main machine components, the operating characteristics and a typical application.

  19. Non-equilibrium mechanisms of light in the microwave region

    NASA Astrophysics Data System (ADS)

    Mortenson, Juliana H. J.

    2011-09-01

    Quantum mechanics and quantum chemistry have taught for more than 100 years that "photons" associated with microwaves cannot exert photochemical effects because their "photon energies" are smaller than chemical bond energies. Those quantum theories have been strongly contradicted within the last few decades by physical experiments demonstrating non-equilibrium, photochemical and photomaterial activity by microwaves. Reactions among scientists to these real physical models and proofs have varied from disbelief and denial, to acceptance of the real physical phenomena and demands for revisions to quantum theory. At the previous "Nature of Light" meeting, an advance in the foundations of quantum mechanics was presented. Those discoveries have revealed the source of these conflicts between quantum theory and microwave experiments. Critical variables and constants were missing from quantum theory due to a minor mathematical inadvertence in Planck's original quantum work. As a result, erroneous concepts were formed nearly a century ago regarding the energetics and mechanisms of lower frequency light, such as in the microwave region. The new discoveries have revealed that the traditional concept of "photons" mistakenly attributed elementary particle status to what is actually an arbitrarily time-based collection of sub-photonic, elementary particles. In a mathematical dimensional sense, those time-based energy measurements cannot be mathematically equivalent to bond energies as historically believed. Only an "isolated quantity of energy", as De Broglie referred to it, can be equivalent to bond energy. With the aid of the new variables and constants, the non-equilibrium mechanisms of light in the microwave region can now be described. They include resonant absorption, splitting frequency stimulation leading to electronic excitation, and resonant acoustic transduction. Numerous practical engineering applications can be envisioned for non-equilibrium microwaves.

  20. Dissipation in non-equilibrium turbulence

    NASA Astrophysics Data System (ADS)

    Bos, Wouter; Rubinstein, Robert

    2016-11-01

    For about a decade, experimental and numerical studies have reported on the existence of an anomalous behaviour of the viscous dissipation rate in unsteady turbulence (see for instance Vassilicos, Annu. Rev. Fluid Mech. 2015). It appears that the short-time transient dynamics can be described by a universal power law, incompatible with Taylor's 1935 dissipation rate estimate. We show that these results can be explained using a non-equilibrium energy distribution, obtained from a low-frequency perturbative expansion of simple spectral closure. The resulting description is fairly simple. In particular, during the transient, according to the predictions, the normalized dissipation rate Cɛ evolves as a function of the Taylor-scale Reynolds number Rλ following the relation Cɛ Rλ- 15 / 14 , in close agreement with experimental and numerical observations.

  1. Non-equilibrium Helium Ionization in an MHD Simulation of the Solar Atmosphere

    NASA Astrophysics Data System (ADS)

    Golding, Thomas Peter; Leenaarts, Jorrit; Carlsson, Mats

    2016-02-01

    The ionization state of the gas in the dynamic solar chromosphere can depart strongly from the instantaneous statistical equilibrium commonly assumed in numerical modeling. We improve on earlier simulations of the solar atmosphere that only included non-equilibrium hydrogen ionization by performing a 2D radiation-magnetohydrodynamics simulation featuring non-equilibrium ionization of both hydrogen and helium. The simulation includes the effect of hydrogen Lyα and the EUV radiation from the corona on the ionization and heating of the atmosphere. Details on code implementation are given. We obtain helium ion fractions that are far from their equilibrium values. Comparison with models with local thermodynamic equilibrium (LTE) ionization shows that non-equilibrium helium ionization leads to higher temperatures in wavefronts and lower temperatures in the gas between shocks. Assuming LTE ionization results in a thermostat-like behavior with matter accumulating around the temperatures where the LTE ionization fractions change rapidly. Comparison of DEM curves computed from our models shows that non-equilibrium ionization leads to more radiating material in the temperature range 11-18 kK, compared to models with LTE helium ionization. We conclude that non-equilibrium helium ionization is important for the dynamics and thermal structure of the upper chromosphere and transition region. It might also help resolve the problem that intensities of chromospheric lines computed from current models are smaller than those observed.

  2. NON-EQUILIBRIUM HELIUM IONIZATION IN AN MHD SIMULATION OF THE SOLAR ATMOSPHERE

    SciTech Connect

    Golding, Thomas Peter; Carlsson, Mats; Leenaarts, Jorrit E-mail: mats.carlsson@astro.uio.no

    2016-02-01

    The ionization state of the gas in the dynamic solar chromosphere can depart strongly from the instantaneous statistical equilibrium commonly assumed in numerical modeling. We improve on earlier simulations of the solar atmosphere that only included non-equilibrium hydrogen ionization by performing a 2D radiation-magnetohydrodynamics simulation featuring non-equilibrium ionization of both hydrogen and helium. The simulation includes the effect of hydrogen Lyα and the EUV radiation from the corona on the ionization and heating of the atmosphere. Details on code implementation are given. We obtain helium ion fractions that are far from their equilibrium values. Comparison with models with local thermodynamic equilibrium (LTE) ionization shows that non-equilibrium helium ionization leads to higher temperatures in wavefronts and lower temperatures in the gas between shocks. Assuming LTE ionization results in a thermostat-like behavior with matter accumulating around the temperatures where the LTE ionization fractions change rapidly. Comparison of DEM curves computed from our models shows that non-equilibrium ionization leads to more radiating material in the temperature range 11–18 kK, compared to models with LTE helium ionization. We conclude that non-equilibrium helium ionization is important for the dynamics and thermal structure of the upper chromosphere and transition region. It might also help resolve the problem that intensities of chromospheric lines computed from current models are smaller than those observed.

  3. Final Report on DTRA Basic Research Project #BRCALL08-Per3-C-2-0006 "High-Z Non-Equilibrium Physics and Bright X-ray Sources with New Laser Targets"

    SciTech Connect

    Colvin, Jeffrey D.

    2016-06-01

    This project had two major goals. Final Goal: obtain spectrally resolved, absolutely calibrated x-ray emission data from uniquely uniform mm-scale near-critical-density high-Z plasmas not in local thermodynamic equilibrium (LTE) to benchmark modern detailed atomic physics models. Scientific significance: advance understanding of non-LTE atomic physics. Intermediate Goal: develop new nano-fabrication techniques to make suitable laser targets that form the required highly uniform non-LTE plasmas when illuminated by high-intensity laser light. Scientific significance: advance understanding of nano-science. The new knowledge will allow us to make x-ray sources that are bright at the photon energies of most interest for testing radiation hardening technologies, the spectral energy range where current x-ray sources are weak. All project goals were met.

  4. Non-equilibrium thermodynamics of gravitational screens

    NASA Astrophysics Data System (ADS)

    Freidel, Laurent; Yokokura, Yuki

    2015-11-01

    We study the Einstein gravity equations projected on a timelike surface, which represents the time evolution of what we call a gravitational screen. We show that such a screen behaves like a viscous bubble with a surface tension and an internal energy, and that the Einstein equations take the same forms as non-equilibrium thermodynamic equations for a viscous bubble. We provide a consistent dictionary between gravitational and thermodynamic variables. In the non-viscous cases there are three thermodynamic equations that characterize a bubble dynamics: these are the first law, the Marangoni flow equation and the Young-Laplace equation. In all three equations the surface tension plays a central role: in the first law it appears as a work term per unit area, in the Marangoni flow its gradient drives a force, and in the Young-Laplace equation it contributes to a pressure proportional to the surface curvature. The gravity equations appear as a natural generalization of these bubble equations when the bubble itself is viscous and dynamical. In particular, this approach shows that the mechanism of entropy production for the viscous bubble is mapped onto the production of gravitational waves. We also review the relationship between surface tension and temperature, and discuss black-hole thermodynamics.

  5. Emission properties of non-equilibrium krypton plasma in the water-window region

    NASA Astrophysics Data System (ADS)

    Zakharov, Vassily S.

    2017-01-01

    The line emission properties of non-equilibrium krypton plasma are examined and the optimal emission temperature conditions for soft x-ray emission output in the water-window region are explored. The kinetic parameters for non-equilibrium plasma including major inelastic ion interaction processes, radiation and emission data are obtained with an approach based on the Hartree-Fock-Slater (HFS) quantum-statistical model and a distorted wave approximation. A nonmaxwellian electron distribution is used as well for calculating collisional rates. At a temperature of 70 eV the emission spectral efficiency for Kr equilibrium plasma is about 10%, and it jumps to a value greater than 70% at 100 eV. A similar spectral efficiency is achieved at a lower temperature e.g. 80 eV in non-equilibrium plasma with 7.5 keV fast electron average energy.

  6. Compton Sources of Electromagnetic Radiation

    SciTech Connect

    Geoffrey Krafft,Gerd Priebe

    2011-01-01

    When a relativistic electron beam interacts with a high-field laser beam, intense and highly collimated electromagnetic radiation will be generated through Compton scattering. Through relativistic upshifting and the relativistic Doppler effect, highly energetic polarized photons are radiated along the electron beam motion when the electrons interact with the laser light. For example, X-ray radiation can be obtained when optical lasers are scattered from electrons of tens-of-MeV beam energy. Because of the desirable properties of the radiation produced, many groups around the world have been designing, building, and utilizing Compton sources for a wide variety of purposes. In this review article, we discuss the generation and properties of the scattered radiation, the types of Compton source devices that have been constructed to date, and the prospects of radiation sources of this general type. Due to the possibilities of producing hard electromagnetic radiation in a device that is small compared to the alternative storage ring sources, it is foreseen that large numbers of such sources may be constructed in the future.

  7. Atomic physics and non-equilibrium plasmas

    SciTech Connect

    Weisheit, J.C.

    1986-04-25

    Three lectures comprise the report. The lecture, Atomic Structure, is primarily theoretical and covers four topics: (1) Non-relativistic one-electron atom, (2) Relativistic one-electron atom, (3) Non-relativistic many-electron atom, and (4) Relativistic many-electron atom. The lecture, Radiative and Collisional Transitions, considers the problem of transitions between atomic states caused by interactions with radiation or other particles. The lecture, Ionization Balance: Spectral Line Shapes, discusses collisional and radiative transitions when ionization and recombination processes are included. 24 figs., 11 tabs.

  8. Nonlinear optics in non-equilibrium microplasmas

    NASA Astrophysics Data System (ADS)

    Compton, Ryan E.

    2011-12-01

    This dissertation details the nature of subnanosecond laser-induced microplasma dynamics, particularly concerning the evolution of the electron temperature and concentration. Central to this development is the advent of a femtosecond four-wave mixing (FWM) spectroscopic method. FWM (in the form of coherent anti-Stokes Raman scattering (CARS)) measurements are performed on the fundamental oxygen vibrational transition. An analytical expression is provided that accounts for the resonant and nonresonant contributions to the CARS signal generated from the interaction of broadband pump and Stokes pulses. The inherent phase mismatch is also accounted for, resulting in quantitative agreement between experiment and theory. FWM is then used to measure the early-time electron dynamics in the noble gas series from He to Xe following irradiation by an intense (1014 Wcm-2) nonresonant 80 fs laser pulse. An electron impact ionization cooling model is presented to determine the evolution of electron kinetic energies following ionization. Kinetic energies are predicted to evolve from > 20 eV to < 1 eV in the first 1.5 ns. The initial degree of ionization is determined experimentally via measurement of the Bremsstrahlung background emission, and modeled with a modified ADK theory based on tunnel ionization. Combined, these two descriptions account for the evolution of both the electron temperature and concentration and provide quantitative agreement with the FWM measurements. The model is further tested with measurements of the gas pressure and pump laser intensity on the electron dynamics. The FWM experiments are concluded with a qualitative discussion of dissociative recombination dynamics occurring in molecular microplasmas. The microplasma environment is used as a source for the generation of two-level systems in the excited state manifold of atomic oxygen and argon. These two-level systems are coupled using moderately intense ˜1 ps near-infrared (and near-resonant) pulses

  9. Study of non-equilibrium transport phenomena

    NASA Technical Reports Server (NTRS)

    Sharma, Surendra P.

    1987-01-01

    Nonequilibrium phenomena due to real gas effects are very important features of low density hypersonic flows. The shock shape and emitted nonequilibrium radiation are identified as the bulk flow behavior parameters which are very sensitive to the nonequilibrium phenomena. These parameters can be measured in shock tubes, shock tunnels, and ballistic ranges and used to test the accuracy of computational fluid dynamic (CFD) codes. Since the CDF codes, by necessity, are based on multi-temperature models, it is also desirable to measure various temperatures, most importantly, the vibrational temperature. The CFD codes would require high temperature rate constants, which are not available at present. Experiments conducted at the NASA Electric Arc-driven Shock Tube (EAST) facility reveal that radiation from steel contaminants overwhelm the radiation from the test gas. For the measurement of radiation and the chemical parameters, further investigation and then appropriate modifications of the EAST facility are required.

  10. Supersonic Jet Mixing with Vibrational Non-Equilibrium

    NASA Astrophysics Data System (ADS)

    Reising, Heath H.; Kc, Utsav; Varghese, Philip L.; Clemens, Noel T.

    2013-11-01

    A new study has been initiated to study the effect of vibrational non-equilibrium on turbulent mixing and combustion. This work is relevant to high-speed, high-temperature environments, such as scramjet combustors, where shocks and mixing can lead to high degrees of vibrational non-equilibrium. In this experimental study, a new facility has been developed that consists of a perfectly-expanded axisymmetric Mach 1.5 turbulent air jet issuing into an electrically heated co-flow of air for precise control of the temperature and thus vibrationally-active population. This hot flow can be brought into non-equilibrium when the co-flow fluid is rapidly mixed with the colder supersonic jet fluid. Effects of the non-equilibrium can be isolated by replacing the nitrogen in the flow with argon. The degree of non-equilibrium in the jet shear layers is quantified by using high-spectral resolution time-averaged spontaneous Raman scattering centered on the Stokes-shifted Q branch line of N2 at 607 nm. In this first phase of the study, the effect of non-equilibrium on the mixing field will be investigated, but future work will focus on H2-air combustion. Planar Rayleigh thermometry is utilized to investigate the effects of vibrational non-equilibrium on the turbulent structures and thermal dissipation field. This work was funded by the Air Force Office of Scientific Research under BRI grant FA9550-12-0460.

  11. Hydraulic non-equilibrium during infiltration induced by structural connectivity

    NASA Astrophysics Data System (ADS)

    Schlüter, Steffen; Vanderborght, Jan; Vogel, Hans-Jörg

    2012-08-01

    Water infiltration into heterogeneous, structured soil leads to hydraulic non-equilibrium across the infiltration front. That is, the water content and pressure head are not in equilibrium according to some static water retention curve. The water content increases more rapidly in more conductive regions followed by a slow relaxation towards an equilibrium state behind the front. An extreme case is preferential infiltration into macropores. Since flow paths adapt to the structural heterogeneity of the porous medium, there is a direct link between structure and non-equilibrium. The aim of our study is to develop an upscaled description of water dynamics which conserves the macroscopic effects of non-equilibrium and which can be directly linked to structural properties of the material. A critical question is how to define averaged state variables at the larger scale. We propose a novel approach based on flux-weighted averaging of pressure head, and compare its performance to alternative methods for averaging. Further, we suggest some meaningful indicators of hydraulic non-equilibrium that can be related to morphological characteristics of infiltration fronts in quantitative terms. These methods provide a sound basis to assess the impact of structural connectivity on hydraulic non-equilibrium. We demonstrate our approach using numerical case studies for infiltration into two-dimensional heterogeneous media using three different structure models with distinct differences in connectivity. Our results indicate that an increased isotropic, short-range connectivity reduces non-equilibrium, whereas anisotropic structures that are elongated in the direction of flow enforce it. We observe a good agreement between front morphology and effective hydraulic non-equilibrium. A detailed comparison of averaged state variables with results from an upscaled model that includes hydraulic non-equilibrium outlines potential improvements in the description of non-equilibrium dynamics

  12. Hydraulic non-equilibrium during infiltration induced by structural connectivity

    NASA Astrophysics Data System (ADS)

    Schlüter, S.; Vanderborght, J.; Vogel, H.-J.

    2012-04-01

    Water infiltration into heterogeneous, structured soil leads to hydraulic non-equilibrium across the infiltration front. That is the water content and water potential is not in equilibrium according to some static water retention curve. The water content increases more rapidly in more conductive regions followed by a slow relaxation towards an equilibrium state. An extreme case is preferential infiltration into macro-pores. As flow paths adapt to the structural heterogeneity of the subsurface, there is a direct link between structure and non-equilibrium. The aim of our study is to develop an upscaled description of water dynamics which conserves the macroscopic effects of non-equilibrium and which can be linked to structural properties of the material. However, this relationship cannot be rigorously examined without an upscaling approach that conserves non-equilibrium during averaging of state variables. We achieve this with a novel approach, that is based on flux-weighted averaging of hydraulic potential, and compare its performance to existing averaging approaches by means of infiltration simulations. Further, we set up some meaningful indicators of hydraulic non-equilibrium that can be easily compared to morphological characteristics of the infiltration front. These methods provide a sound basis to assess the impact of structural connectivity on hydraulic non-equilibrium. We generate several realizations of two-dimensional random fields originating from three heterogeneity models with distinct differences in connectivity of high-K areas and conduct infiltration simulations with them. Our results indicate, that an increased isotropic, short-range connectivity reduces non-equilibrium, whereas anisotropic, macropore-like structures enforce it. We observed a good agreement between front morphology and upscaled non-equilibrium. Our findings encourage to use flux-weighted potentials for upscaling of state variables during transient conditions. We demonstrate, that

  13. Hydraulic non-equilibrium during infiltration induced by structural connectivity

    NASA Astrophysics Data System (ADS)

    Schlüter, S.; Vogel, H.

    2011-12-01

    Water infiltration into heterogeneous, structured soil leads to hydraulic non-equilibrium across the infiltration front. That is the water content and water potential is not in equilibrium according to some static water retention curve. The water content increases more rapidly in more conductive regions followed by a slow relaxation towards an equilibrium state. An extreme case is preferential infiltration into macro-pores. As flowpaths adapt to the structural heterogeneity of the subsurface, there is a direct link between structure and non-equilibrium. The aim of our study is to develop an upscaled description of water dynamics which conserves the macroscopic effects of non-equilibrium and which can be linked to structural properties of the material. However, this relationship cannot be rigorously examined without an upscaling approach that conserves non-equilibrium during averaging of state variables. We achieve this with a novel approach, that is based on flux-weighted averaging of hydraulic potential, and compare its performance to existing averaging approaches by means of infiltration simulations. Further, we set up some meaningful indicators of hydraulic non-equilibrium that can be easily compared to morphological characteristics of the infiltration front. These methods provide a sound basis to assess the impact of structural connectivity on hydraulic non-equilibrium. We generate several realizations of two-dimensional random fields originating from three heterogeneity models with distinct differences in connectivity of high-K areas and conduct infiltration simulations with them. Our results indicate, that an increased isotropic, short-range connectivity reduces non-equilibrium, whereas anisotropic, macropore-like structures enforce it. We observed a good agreement between front morphology and upscaled non-equilibrium. Our findings encourage to use flux-weighted potentials for upscaling of state variables during transient conditions. We demonstrate, that this

  14. Quantum and Non-Equilibrium Processes Division

    DTIC Science & Technology

    2013-03-05

    Electro-energetic Physics Relativistic Magnetron Courtesy M. Bettencourt, AFRL/RDH “Bumpy” Magnetron with ICEPIC RTB PO’s Portfolio’s • Dr. Kent...Miller Remote Sensing & Imaging Physics and Space Sciences Space Weather effects include: • satellite drag • radiation belt perturbations

  15. Radiation sources working group summary

    SciTech Connect

    Fazio, M.V.

    1998-12-31

    The Radiation Sources Working Group addressed advanced concepts for the generation of RF energy to power advanced accelerators. The focus of the working group included advanced sources and technologies above 17 GHz. The topics discussed included RF sources above 17 GHz, pulse compression techniques to achieve extreme peak power levels, components technology, technology limitations and physical limits, and other advanced concepts. RF sources included gyroklystrons, magnicons, free-electron masers, two beam accelerators, and gyroharmonic and traveling wave devices. Technology components discussed included advanced cathodes and electron guns, high temperature superconductors for producing magnetic fields, RF breakdown physics and mitigation, and phenomena that impact source design such as fatigue in resonant structures due to RF heating. New approaches for RF source diagnostics located internal to the source were discussed for detecting plasma and beam phenomena existing in high energy density electrodynamic systems in order to help elucidate the reasons for performance limitations.

  16. Radiation source with shaped emission

    DOEpatents

    Kubiak, Glenn D.; Sweatt, William C.

    2003-05-13

    Employing a source of radiation, such as an electric discharge source, that is equipped with a capillary region configured into some predetermined shape, such as an arc or slit, can significantly improve the amount of flux delivered to the lithographic wafers while maintaining high efficiency. The source is particularly suited for photolithography systems that employs a ringfield camera. The invention permits the condenser which delivers critical illumination to the reticle to be simplified from five or more reflective elements to a total of three or four reflective elements thereby increasing condenser efficiency. It maximizes the flux delivered and maintains a high coupling efficiency. This architecture couples EUV radiation from the discharge source into a ring field lithography camera.

  17. Electrolytes: transport properties and non-equilibrium thermodynamics

    SciTech Connect

    Miller, D.G.

    1980-12-01

    This paper presents a review on the application of non-equilibrium thermodynamics to transport in electrolyte solutions, and some recent experimental work and results for mutual diffusion in electrolyte solutions.

  18. Non-equilibrium in low-temperature plasmas

    NASA Astrophysics Data System (ADS)

    Taccogna, Francesco; Dilecce, Giorgio

    2016-11-01

    The wide range of applications of cold plasmas originates from their special characteristic of being a physical system out of thermodynamic equilibrium. This property enhances its reactivity at low gas temperature and allows to obtain macroscopic effects with a moderate energy consumption. In this review, the basic concepts of non-equilibrium in ionized gases are treated by showing why and how non-equilibrium functions of the degrees of freedom are formed in a variety of natural and man-made plasmas with particular emphasis on the progress made in the last decade. The modern point of view of a molecular basis of non-equilibrium and of a state-to-state kinetic approach is adopted. Computational and diagnostic techniques used to investigate the non-equilibrium conditions are also surveyed.

  19. Non-Equilibrium Modeling of Inductively Coupled RF Plasmas

    DTIC Science & Technology

    2015-01-01

    Technical Paper 3. DATES COVERED (From - To) January 2015-March 2015 4. TITLE AND SUBTITLE Non-Equilibrium Modeling of Inductively Coupled RF Plasmas...Mar 2015. PA#15120 14. ABSTRACT This paper discusses the modeling of non-equilibrium effects in inductively coupled plasma facilities. The model...98) Prescribed by ANSI Std. 239.18 NON-EQUILIBRIUMMODELING OF INDUCTIVELY COUPLED RF PLASMAS Alessandro Munafò1, Jean-Luc Cambier2, and Marco

  20. Non-equilibrium dynamics from RPMD and CMD.

    PubMed

    Welsch, Ralph; Song, Kai; Shi, Qiang; Althorpe, Stuart C; Miller, Thomas F

    2016-11-28

    We investigate the calculation of approximate non-equilibrium quantum time correlation functions (TCFs) using two popular path-integral-based molecular dynamics methods, ring-polymer molecular dynamics (RPMD) and centroid molecular dynamics (CMD). It is shown that for the cases of a sudden vertical excitation and an initial momentum impulse, both RPMD and CMD yield non-equilibrium TCFs for linear operators that are exact for high temperatures, in the t = 0 limit, and for harmonic potentials; the subset of these conditions that are preserved for non-equilibrium TCFs of non-linear operators is also discussed. Furthermore, it is shown that for these non-equilibrium initial conditions, both methods retain the connection to Matsubara dynamics that has previously been established for equilibrium initial conditions. Comparison of non-equilibrium TCFs from RPMD and CMD to Matsubara dynamics at short times reveals the orders in time to which the methods agree. Specifically, for the position-autocorrelation function associated with sudden vertical excitation, RPMD and CMD agree with Matsubara dynamics up to O(t(4)) and O(t(1)), respectively; for the position-autocorrelation function associated with an initial momentum impulse, RPMD and CMD agree with Matsubara dynamics up to O(t(5)) and O(t(2)), respectively. Numerical tests using model potentials for a wide range of non-equilibrium initial conditions show that RPMD and CMD yield non-equilibrium TCFs with an accuracy that is comparable to that for equilibrium TCFs. RPMD is also used to investigate excited-state proton transfer in a system-bath model, and it is compared to numerically exact calculations performed using a recently developed version of the Liouville space hierarchical equation of motion approach; again, similar accuracy is observed for non-equilibrium and equilibrium initial conditions.

  1. Non-equilibrium dynamics from RPMD and CMD

    NASA Astrophysics Data System (ADS)

    Welsch, Ralph; Song, Kai; Shi, Qiang; Althorpe, Stuart C.; Miller, Thomas F.

    2016-11-01

    We investigate the calculation of approximate non-equilibrium quantum time correlation functions (TCFs) using two popular path-integral-based molecular dynamics methods, ring-polymer molecular dynamics (RPMD) and centroid molecular dynamics (CMD). It is shown that for the cases of a sudden vertical excitation and an initial momentum impulse, both RPMD and CMD yield non-equilibrium TCFs for linear operators that are exact for high temperatures, in the t = 0 limit, and for harmonic potentials; the subset of these conditions that are preserved for non-equilibrium TCFs of non-linear operators is also discussed. Furthermore, it is shown that for these non-equilibrium initial conditions, both methods retain the connection to Matsubara dynamics that has previously been established for equilibrium initial conditions. Comparison of non-equilibrium TCFs from RPMD and CMD to Matsubara dynamics at short times reveals the orders in time to which the methods agree. Specifically, for the position-autocorrelation function associated with sudden vertical excitation, RPMD and CMD agree with Matsubara dynamics up to O (t4) and O (t1) , respectively; for the position-autocorrelation function associated with an initial momentum impulse, RPMD and CMD agree with Matsubara dynamics up to O (t5) and O (t2) , respectively. Numerical tests using model potentials for a wide range of non-equilibrium initial conditions show that RPMD and CMD yield non-equilibrium TCFs with an accuracy that is comparable to that for equilibrium TCFs. RPMD is also used to investigate excited-state proton transfer in a system-bath model, and it is compared to numerically exact calculations performed using a recently developed version of the Liouville space hierarchical equation of motion approach; again, similar accuracy is observed for non-equilibrium and equilibrium initial conditions.

  2. Non-equilibrium processes in interstellar molecules

    NASA Technical Reports Server (NTRS)

    Strelnitskiy, V. S.

    1979-01-01

    The types of nonequilibrium emission and absorption by interstellar molecules are summarized. The observed brightness emission temperatures of compact OH and H2O sources are discussed using the concept of maser amplification. A single thermodynamic approach was used in which masers and anti-masers are considered as heat engines for the theoretical interpretation of the cosmic maser and anti-maser phenomena. The requirements for different models of pumping are formulated and a classification is suggested for the mechanisms of pumping, according to the source and discharge of energy.

  3. Non equilibrium studies on FEL facilities

    NASA Astrophysics Data System (ADS)

    Harmand, Marion

    2013-06-01

    The recent development of Free Electron Lasers (FEL), giving ultrafast, high intensity pulses in the X-ray and XUV energy range is opening new opportunities for WDM studies. Development of X-ray diagnostics such as X-ray absorption spectroscopy and X-ray scattering, has received much attention for the in situ measurement of the structure and physical properties of matter at extreme conditions. Coupled to ultrafast pump - probe schemas, such diagnostics are giving new insights into out-of-equilibrium processes and thus validate current models. We report recent developments to perform few fs time resolved pump - probe experiments, giving access to ultrafast transient WDM states. We also present collective Thomson Scattering with soft x-ray Free Electron Laser radiation (at FLASH) as a method to track the evolution of highly transient warm dense hydrogen with around 100 fs time resolution. In addition, recent experiments at LCLS are suggesting the possibility to perform X-ray absorption spectroscopy (XANES) on FEL facilities to provide simultaneously information on the valence electrons and on the atomic local arrangement within sub-ps time scales.

  4. Overview of terahertz radiation sources.

    SciTech Connect

    Gallerano, G. P.; Biedron, S. G.; Energy Systems; ENEA

    2004-01-01

    Although terahertz (THz) radiation was first observed about hundred years ago, the corresponding portion of the electromagnetic spectrum has been for long time considered a rather poorly explored region at the boundary between the microwaves and the infrared. This situation has changed during the past ten years with the rapid development of coherent THz sources, such as solid state oscillators, quantum cascade lasers, optically pumped solid state devices and novel free electron devices, which have in turn stimulated a wide variety of applications from material science to telecommunications, from biology to biomedicine. For a comprehensive review of THz technology the reader is addressed to a recent paper by P. Siegel. In this paper we focus on the development and perspectives of THz radiation sources.

  5. Non-Equilibrium Effects on Hypersonic Turbulent Boundary Layers

    NASA Astrophysics Data System (ADS)

    Kim, Pilbum

    Understanding non-equilibrium effects of hypersonic turbulent boundary layers is essential in order to build cost efficient and reliable hypersonic vehicles. It is well known that non-equilibrium effects on the boundary layers are notable, but our understanding of the effects are limited. The overall goal of this study is to improve the understanding of non-equilibrium effects on hypersonic turbulent boundary layers. A new code has been developed for direct numerical simulations of spatially developing hypersonic turbulent boundary layers over a flat plate with finite-rate reactions. A fifth-order hybrid weighted essentially non-oscillatory scheme with a low dissipation finite-difference scheme is utilized in order to capture stiff gradients while resolving small motions in turbulent boundary layers. The code has been validated by qualitative and quantitative comparisons of two different simulations of a non-equilibrium flow and a spatially developing turbulent boundary layer. With the validated code, direct numerical simulations of four different hypersonic turbulent boundary layers, perfect gas and non-equilibrium flows of pure oxygen and nitrogen, have been performed. In order to rule out uncertainties in comparisons, the same inlet conditions are imposed for each species, and then mean and turbulence statistics as well as near-wall turbulence structures are compared at a downstream location. Based on those comparisons, it is shown that there is no direct energy exchanges between internal and turbulent kinetic energies due to thermal and chemical non-equilibrium processes in the flow field. Instead, these non-equilibria affect turbulent boundary layers by changing the temperature without changing the main characteristics of near-wall turbulence structures. This change in the temperature induces the changes in the density and viscosity and the mean flow fields are then adjusted to satisfy the conservation laws. The perturbation fields are modified according to

  6. Detection of Non-Equilibrium Fluctuations in Active Gels

    NASA Astrophysics Data System (ADS)

    Bacanu, Alexandru; Broedersz, Chase; Gladrow, Jannes; Mackintosh, Fred; Schmidt, Christoph; Fakhri, Nikta

    Active force generation at the molecular scale in cells can result in stochastic non-equilibrium dynamics on mesoscpopic scales. Molecular motors such as myosin can drive steady-state stress fluctuations in cytoskeletal networks. Here, we present a non-invasive technique to probe non-equilibrium fluctuations in an active gel using single-walled carbon nanotubes (SWNTs). SWNTs are semiflexible polymers with intrinsic fluorescence in the near infrared. Both thermal and active motor-induced forces in the network induce transverse fluctuations of SWNTs. We demonstrate that active driven shape fluctuations of the SWNTs exhibit dynamics that reflect the non-equilibrium activity, in particular the emergence of correlations between the bending modes. We discuss the observation of breaking of detailed balance in this configurational space of the SWNT probes. Supported by National Defense Science and Engineering Graduate Student Fellowship (NDSEG).

  7. The influence of non-equilibrium pressure on rotating flows

    NASA Astrophysics Data System (ADS)

    Zardadkhan, Irfan Rashid

    This study was undertaken to investigate the influence of pressure relaxation on steady, incompressible flows with strong streamline curvature. In the early part of this dissertation research, the significance of non-equilibrium pressure forces in controlling the structure of a steady, two dimensional axial vortex was demonstrated. In order to extend the study of pressure relaxation influences on more complex rotating flows, this dissertation has examined other rotating flow features that can be associated with hurricanes, tornadoes and dust devils. To model these flows, modified boundary layer equations were developed for a fluid column rotating near a solid plane including the influence of non-equilibrium pressure forces. The far-field boundary conditions were inferred using the asymptotic behavior of the governing equations, and the boundary conditions for the axial and radial components of velocity were shown to be dependent on the pressure relaxation coefficient, η p, and the characteristic angular velocity of the rotating fluid column, ω. This research has shown for the first time that the inclusion of non-equilibrium pressure results in a free-standing stagnation plane at the top of a funnel shaped rotating fluid column, which is consistent with observational data for hurricanes, tornadoes and dust devils. It has also been shown that in the absence of non-equilibrium pressure, the stagnation plane for rotating flows cannot be observed. The velocity and pressure distributions resulting from incorporating non-equilibrium pressure effects were then compared with available observational data for tornadoes and dust devils. The general profiles of the velocity and pressure distributions were found to be in good agreement with physical measurements, which was not possible without introducing empirical turbulence effects, in the absence of non-equilibrium pressure effects.

  8. Experimental approaches for studying non-equilibrium atmospheric plasma jets

    SciTech Connect

    Shashurin, A.; Keidar, M.

    2015-12-15

    This work reviews recent research efforts undertaken in the area non-equilibrium atmospheric plasma jets with special focus on experimental approaches. Physics of small non-equilibrium atmospheric plasma jets operating in kHz frequency range at powers around few Watts will be analyzed, including mechanism of breakdown, process of ionization front propagation, electrical coupling of the ionization front with the discharge electrodes, distributions of excited and ionized species, discharge current spreading, transient dynamics of various plasma parameters, etc. Experimental diagnostic approaches utilized in the field will be considered, including Rayleigh microwave scattering, Thomson laser scattering, electrostatic streamer scatterers, optical emission spectroscopy, fast photographing, etc.

  9. Bright solitons in non-equilibrium coherent quantum matter

    PubMed Central

    Pinsker, F.; Flayac, H.

    2016-01-01

    We theoretically demonstrate a mechanism for bright soliton generation in spinor non-equilibrium Bose–Einstein condensates made of atoms or quasi-particles such as polaritons in semiconductor microcavities. We give analytical expressions for bright (half) solitons as minimizing functions of a generalized non-conservative Lagrangian elucidating the unique features of inter and intra-competition in non-equilibrium systems. The analytical results are supported by a detailed numerical analysis that further shows the rich soliton dynamics inferred by their instability and mutual cross-interactions. PMID:26997892

  10. Spacecraft Sterilization Using Non-Equilibrium Atmospheric Pressure Plasma

    NASA Technical Reports Server (NTRS)

    Cooper, Moogega; Vaze, Nachiket; Anderson, Shawn; Fridman, Gregory; Vasilets, Victor N.; Gutsol, Alexander; Tsapin, Alexander; Fridman, Alexander

    2007-01-01

    As a solution to chemically and thermally destructive sterilization methods currently used for spacecraft, non-equilibrium atmospheric pressure plasmas are used to treat surfaces inoculated with Bacillus subtilis and Deinococcus radiodurans. Evidence of significant morphological changes and reduction in viability due to plasma exposure will be presented, including a 4-log reduction of B. subtilis after 2 minutes of dielectric barrier discharge treatment.

  11. Caloric and entropic temperatures in non-equilibrium steady states

    NASA Astrophysics Data System (ADS)

    Jou, D.; Restuccia, L.

    2016-10-01

    We examine the non-equilibrium consequences of two different definitions of temperature in systems out of equilibrium: one is based on the internal energy (caloric temperature), and the other one on the entropy (entropic temperature). We discuss the relation between the values obtained from these two definitions in ideal gases and in two-level systems.

  12. Strongly Non-equilibrium Dynamics of Nanochannel Confined DNA

    NASA Astrophysics Data System (ADS)

    Reisner, Walter

    Nanoconfined DNA exhibits a wide-range of fascinating transient and steady-state non-equilibrium phenomena. Yet, while experiment, simulation and scaling analytics are converging on a comprehensive picture regarding the equilibrium behavior of nanochannel confined DNA, non-equilibrium behavior remains largely unexplored. In particular, while the DNA extension along the nanochannel is the key observable in equilibrium experiments, in the non-equilibrium case it is necessary to measure and model not just the extension but the molecule's full time-dependent one-dimensional concentration profile. Here, we apply controlled compressive forces to a nanochannel confined molecule via a nanodozer assay, whereby an optically trapped bead is slid down the channel at a constant speed. Upon contact with the molecule, a propagating concentration ``shockwave'' develops near the bead and the molecule is dynamically compressed. This experiment, a single-molecule implementation of a macroscopic cylinder-piston apparatus, can be used to observe the molecule response over a range of forcings and benchmark theoretical description of non-equilibrium behavior. We show that the dynamic concentration profiles, including both transient and steady-state response, can be modelled via a partial differential evolution equation combining nonlinear diffusion and convection. Lastly, we present preliminary results for dynamic compression of multiple confined molecules to explore regimes of segregation and mixing for multiple chains in confinement.

  13. Electron-Impact Excitation Cross Sections for Modeling Non-Equilibrium Gas

    NASA Technical Reports Server (NTRS)

    Huo, Winifred M.; Liu, Yen; Panesi, Marco; Munafo, Alessandro; Wray, Alan; Carbon, Duane F.

    2015-01-01

    In order to provide a database for modeling hypersonic entry in a partially ionized gas under non-equilibrium, the electron-impact excitation cross sections of atoms have been calculated using perturbation theory. The energy levels covered in the calculation are retrieved from the level list in the HyperRad code. The downstream flow-field is determined by solving a set of continuity equations for each component. The individual structure of each energy level is included. These equations are then complemented by the Euler system of equations. Finally, the radiation field is modeled by solving the radiative transfer equation.

  14. Laser undulated synchrotron radiation sources

    NASA Astrophysics Data System (ADS)

    Baine, Michael A. J.

    2000-07-01

    This work will address the practicality of using lasers to undulate electron beams for the production of tunable, short pulsed, monochromatic, synchrotron radiation. An x-ray source based on this mechanism, referred to as a Laser Synchrotron Source (LSS), has several attractive features: (1)x-rays can be generated with an electron beam whose energy is a factor of 100 smaller than competing synchrotron sources that use magnetic undulators, (2)the pulse length can be made extremely short (<100fs) by using short pulsed lasers, (3)the polarization can be controlled by changing the polarization of the incident laser, (4)the bandwidth can be quite narrow (<1%), and (5)the resultant x-rays are well collimated (θ < .1 rad for γ > 10) in the direction of the electron beam. These factors combine to produce one of the brightest (>1018 J/s mrad mm2 1%BW) sources of x-rays available. The most attractive feature, however, is its compact size and low cost, which suit it well for applications in Medicine, Biology, and Physics. The problem will be treated in two parts: analysis of nonlinear Thomson scattering for arbitrary interaction geometry of intense lasers and relativistic electron beams, and description of a proof-of-principle experiment carried out at the Naval Research Laboratory.

  15. Spectral Modeling in Astrophysics - The Physics of Non-equilibrium Clouds

    NASA Astrophysics Data System (ADS)

    Ferland, Gary; Williams, Robin

    2016-02-01

    Collisional-radiative spectral modeling plays a central role in astrophysics, probing phenomena ranging from the chemical evolution of the Universe to the energy production near supermassive black holes in distant quasars. The observed emission lines form in non-equilibrium clouds that have very low densities by laboratory standards, and are powered by energy sources which themselves are not in equilibrium. The spectrum is the result of a large number of microphysical processes, thermal statistics often do not apply, and analytical theory cannot be used. Numerical simulations are used to understand the physical state and the resulting spectrum. The greatest distinction between astrophysical modeling and conventional plasma simulations lies in the range of phenomena that must be considered. A single astronomical object will often have gas with kinetic temperatures of T˜10^6 K, 10^4 K, and T≤ 10^3 K, with the physical state ranging from molecular to fully ionized, and emitting over all wavelengths between the radio and x-ray. Besides atomic, plasma, and chemical physics, condensed matter physics is important because of the presence of small solid `grains' which affect the gas through catalytic reactions and the infrared emission they produce. The ionization, level populations, chemistry, and grain properties must be determined self-consistently, along with the radiation transport, to predict the observed spectrum. Although the challenge is great, so are the rewards. Numerical spectral simulations allow us to read the message contained in the spectrum emitted by objects far from the Earth that existed long ago.

  16. Non-equilibrium freezing behaviour of aqueous systems.

    PubMed

    MacKenzie, A P

    1977-03-29

    The tendencies to non-equilibrium freezing behaviour commonly noted in representative aqueous systems derive from bulk and surface properties according to the circumstances. Supercooling and supersaturation are limited by heterogeneous nucleation in the presence of solid impurities. Homogeneous nucleation has been observed in aqueous systems freed from interfering solids. Once initiated, crystal growth is ofter slowed and, very frequently, terminated with increasing viscosity. Nor does ice first formed always succeed in assuming its most stable crystalline form. Many of the more significant measurements on a given systeatter permitting the simultaneous representation of thermodynamic and non-equilibrium properties. The diagram incorporated equilibrium melting points, heterogeneous nucleation temperatures, homogeneous nucleation temperatures, glass transition and devitrification temperatures, recrystallization temperatures, and, where appropriate, solute solubilities and eutectic temperatures. Taken together, the findings on modle systems aid the identification of the kinetic and thermodynamic factors responsible for the freezing-thawing survival of living cells.

  17. Entropy Production and Non-Equilibrium Steady States

    NASA Astrophysics Data System (ADS)

    Suzuki, Masuo

    2013-01-01

    The long-term issue of entropy production in transport phenomena is solved by separating the symmetry of the non-equilibrium density matrix ρ(t) in the von Neumann equation, as ρ(t) = ρs(t) + ρa(t) with the symmetric part ρs(t) and antisymmetric part ρa(t). The irreversible entropy production (dS/dt)irr is given in M. Suzuki, Physica A 390(2011)1904 by (dS/dt)irr = Tr( {H}(dρ s{(t)/dt))}/T for the Hamiltonian {H} of the relevant system. The general formulation of the extended von Neumann equation with energy supply and heat extraction is reviewed from the author's paper (M. S.,Physica A391(2012)1074). irreversibility; entropy production; transport phenomena; electric conduction; thermal conduction; linear response; Kubo formula; steady state; non-equilibrium density matrix; energy supply; symmetry-separated von Neumann equation; unboundedness.

  18. Boltzmann equation solver adapted to emergent chemical non-equilibrium

    SciTech Connect

    Birrell, Jeremiah; Wilkening, Jon; Rafelski, Johann

    2015-01-15

    We present a novel method to solve the spatially homogeneous and isotropic relativistic Boltzmann equation. We employ a basis set of orthogonal polynomials dynamically adapted to allow for emergence of chemical non-equilibrium. Two time dependent parameters characterize the set of orthogonal polynomials, the effective temperature T(t) and phase space occupation factor ϒ(t). In this first paper we address (effectively) massless fermions and derive dynamical equations for T(t) and ϒ(t) such that the zeroth order term of the basis alone captures the particle number density and energy density of each particle distribution. We validate our method and illustrate the reduced computational cost and the ability to easily represent final state chemical non-equilibrium by studying a model problem that is motivated by the physics of the neutrino freeze-out processes in the early Universe, where the essential physical characteristics include reheating from another disappearing particle component (e{sup ±}-annihilation)

  19. Evolution of specialization under non-equilibrium population dynamics.

    PubMed

    Nurmi, Tuomas; Parvinen, Kalle

    2013-03-21

    We analyze the evolution of specialization in resource utilization in a mechanistically underpinned discrete-time model using the adaptive dynamics approach. We assume two nutritionally equivalent resources that in the absence of consumers grow sigmoidally towards a resource-specific carrying capacity. The consumers use resources according to the law of mass-action with rates involving trade-off. The resulting discrete-time model for the consumer population has over-compensatory dynamics. We illuminate the way non-equilibrium population dynamics affect the evolutionary dynamics of the resource consumption rates, and show that evolution to the trimorphic coexistence of a generalist and two specialists is possible due to asynchronous non-equilibrium population dynamics of the specialists. In addition, various forms of cyclic evolutionary dynamics are possible. Furthermore, evolutionary suicide may occur even without Allee effects and demographic stochasticity.

  20. Construction of a Non-Equilibrium Thermal Boundary Layer Facility

    NASA Astrophysics Data System (ADS)

    Biles, Drummond; Ebadi, Alireza; Ma, Allen; White, Christopher

    2015-11-01

    A thermally conductive, electrically heated wall-plate forming the bottom wall of a wind tunnel has been constructed and validation tests have been performed. The wall-plate is a sectioned wall design, where each section is independently heated and controlled. Each section consists of an aluminum 6061 plate, an array of resistive heaters affixed to the bottom of the aluminum plate, and a calcium silicate holder used for thermal isolation. Embedded thermocouples in the aluminum plates are used to monitor the wall temperature and for feedback control of wall heating. The wall-plate is used to investigate thermal transport in both equilibrium and non-equilibrium boundary layers. The non-equilibrium boundary layer flow investigated is oscillatory flow produced by a rotor-stator mechanism placed downstream of the test section of the wind tunnel.

  1. Approach to non-equilibrium behaviour in quantum field theory

    SciTech Connect

    Kripfganz, J.; Perlt, H.

    1989-05-01

    We study the real-time evolution of quantum field theoretic systems in non-equilibrium situations. Results are presented for the example of scalar /lambda//phi//sup 4/ theory. The degrees of freedom are discretized by studying the system on a torus. Short-wavelength modes are integrated out to one-loop order. The long-wavelength modes considered to be the relevant degrees of freedom are treated by semiclassical phase-space methods. /copyright/ 1989 Academic Press, Inc.

  2. Characterization of non equilibrium effects on high quality critical flows

    SciTech Connect

    Camelo, E.; Lemonnier, H.; Ochterbeck, J.

    1995-09-01

    The appropriate design of various pieces of safety equipment such as relief systems, relies on the accurate description of critical flow phenomena. Most of the systems of industrial interest are willing to be described by one-dimensional area-averaged models and a large fraction of them involves multi-component high gas quality flows. Within these circumstances, the flow is very likely to be of an annular dispersed nature and its description by two-fluid models requires various closure relations. Among the most sensitive closures, there is the interfacial area and the liquid entrained fraction. The critical flowrate depends tremendously on the accurate description of the non equilibrium which results from the correctness of the closure equations. In this study, two-component flows are emphasized and non equilibrium results mainly form the differences in the phase velocities. It is therefore of the utmost importance to have reliable data to characterize non equilibrium phenomena and to assess the validity of the closure models. A comprehensive description of air-water nozzle flows, with emphasis on the effect of the nozzle geometry, has been undertaken and some of the results are presented here which helps understanding the overall flow dynamics. Besides the critical flowrate, the presented material includes pressure profiles, droplet size and velocity, liquid film flowrate and liquid film thickness.

  3. Mathematical simulation for non-equilibrium droplet evaporation

    NASA Astrophysics Data System (ADS)

    Dushin, V. R.; Kulchitskiy, A. V.; Nerchenko, V. A.; Nikitin, V. F.; Osadchaya, E. S.; Phylippov, Yu. G.; Smirnov, N. N.

    2008-12-01

    Investigations of acute problems of phase transitions in continua mechanics need adequate modeling of evaporation, which is extremely important for the curved surfaces in the presence of strong heat and mass diffusion fluxes. Working cycle of heat pipes is governed by the active fluid evaporation rate. Combustion of most widely spread hydrocarbon fuels takes place in a gas-phase regime. Thus, evaporation of fuel from the surface of droplets turns to be one of the limiting factors of the process as well. In the present paper processes of non-equilibrium evaporation of small droplets in a quiescent air and in streaming gas flows were investigated theoretically. The rate of droplet evaporation is characterized by a dimensionless Peclet number ( Pe). A new dimensionless parameter I characterizing the deviation of phase transition from the equilibrium was introduced, which made it possible to investigate its influence on variations of the Peclet number and to determine the range of applicability for the quasi-equilibrium model. As it follows from the present investigations accounting for non-equilibrium effects in evaporation for many types of widely used liquids is crucial for droplets diameters less than 100μm, while the surface tension effects essentially manifest only for droplets below 0.1μm. The effects of velocity non-equilibrium and droplet atomization were taken into account.

  4. Fundamental Properties of Non-equilibrium Laser-Supported Detonation Wave

    SciTech Connect

    Shiraishi, Hiroyuki

    2004-03-30

    For developing laser propulsion, it is very important to analyze the mechanism of Laser-Supported Detonation (LSD), because it can generate high pressure and high temperature to be used by laser propulsion can be categorized as one type of hypersonic reacting flows, where exothermicity is supplied not by chemical reaction but by radiation absorption. I have numerically simulated the 1-D and Quasi-1-D LSD waves propagating through an inert gas, which absorbs CO2 gasdynamic laser, using a 2-temperature model. Calculated results show the fundamental properties of the non-equilibrium LSD Waves.

  5. Fundamental Properties of Non-equilibrium Laser-Supported Detonation Wave

    NASA Astrophysics Data System (ADS)

    Shiraishi, Hiroyuki

    2004-03-01

    For developing laser propulsion, it is very important to analyze the mechanism of Laser-Supported Detonation (LSD), because it can generate high pressure and high temperature to be used by laser propulsion can be categorized as one type of hypersonic reacting flows, where exothermicity is supplied not by chemical reaction but by radiation absorption. I have numerically simulated the 1-D and Quasi-1-D LSD waves propagating through an inert gas, which absorbs CO2 gasdynamic laser, using a 2-temperature model. Calculated results show the fundamental properties of the non-equilibrium LSD Waves.

  6. Electron Broadening of Isolated Lines with Stationary Non-Equilibrium Level Populations

    SciTech Connect

    Iglesias, C A

    2005-01-12

    It is shown that a quantum kinetic theory approach to line broadening, extended to stationary non-equilibrium states, yields corrections to the standard electron impact widths of isolated lines that depend on the population of the radiator internal levels. A consistent classical limit from a general quantum treatment of the perturbing electrons also introduces corrections to the isolated line widths. Both effects are essential in preserving detailed-balance relations. Preliminary analysis indicates that these corrections may resolve existing discrepancies between theoretical and experimental widths of isolated lines. An experimental test of the results is proposed.

  7. Virtual Gamma Ray Radiation Sources through Neutron Radiative Capture

    SciTech Connect

    Scott Wilde, Raymond Keegan

    2008-07-01

    The countrate response of a gamma spectrometry system from a neutron radiation source behind a plane of moderating material doped with a nuclide of a large radiative neutron capture cross-section exhibits a countrate response analogous to a gamma radiation source at the same position from the detector. Using a planar, surface area of the neutron moderating material exposed to the neutron radiation produces a larger area under the prompt gamma ray peak in the detector than a smaller area of dimensions relative to the active volume of the gamma detection system.

  8. Optical Properties in Non-equilibrium Phase Transitions

    SciTech Connect

    Ao, T; Ping, Y; Widmann, K; Price, D F; Lee, E; Tam, H; Springer, P T; Ng, A

    2006-01-05

    An open question about the dynamical behavior of materials is how phase transition occurs in highly non-equilibrium systems. One important class of study is the excitation of a solid by an ultrafast, intense laser. The preferential heating of electrons by the laser field gives rise to initial states dominated by hot electrons in a cold lattice. Using a femtosecond laser pump-probe approach, we have followed the temporal evolution of the optical properties of such a system. The results show interesting correlation to non-thermal melting and lattice disordering processes. They also reveal a liquid-plasma transition when the lattice energy density reaches a critical value.

  9. Shape characteristics of equilibrium and non-equilibrium fractal clusters.

    PubMed

    Mansfield, Marc L; Douglas, Jack F

    2013-07-28

    It is often difficult in practice to discriminate between equilibrium and non-equilibrium nanoparticle or colloidal-particle clusters that form through aggregation in gas or solution phases. Scattering studies often permit the determination of an apparent fractal dimension, but both equilibrium and non-equilibrium clusters in three dimensions frequently have fractal dimensions near 2, so that it is often not possible to discriminate on the basis of this geometrical property. A survey of the anisotropy of a wide variety of polymeric structures (linear and ring random and self-avoiding random walks, percolation clusters, lattice animals, diffusion-limited aggregates, and Eden clusters) based on the principal components of both the radius of gyration and electric polarizability tensor indicates, perhaps counter-intuitively, that self-similar equilibrium clusters tend to be intrinsically anisotropic at all sizes, while non-equilibrium processes such as diffusion-limited aggregation or Eden growth tend to be isotropic in the large-mass limit, providing a potential means of discriminating these clusters experimentally if anisotropy could be determined along with the fractal dimension. Equilibrium polymer structures, such as flexible polymer chains, are normally self-similar due to the existence of only a single relevant length scale, and are thus anisotropic at all length scales, while non-equilibrium polymer structures that grow irreversibly in time eventually become isotropic if there is no difference in the average growth rates in different directions. There is apparently no proof of these general trends and little theoretical insight into what controls the universal anisotropy in equilibrium polymer structures of various kinds. This is an obvious topic of theoretical investigation, as well as a matter of practical interest. To address this general problem, we consider two experimentally accessible ratios, one between the hydrodynamic and gyration radii, the other

  10. Fluctuations and large deviations in non-equilibrium systems

    NASA Astrophysics Data System (ADS)

    Derrida, B.

    2005-05-01

    For systems in contact with two reservoirs at different densities or with two thermostats at different temperatures, the large deviation function of the density gives a possible way of extending the notion of free energy to non-equilibrium systems. This large deviation function of the density can be calculated explicitly for exclusion models in one dimension with open boundary conditions. For these models, one can also obtain the distribution of the current of particles flowing through the system and the results lead to a simple conjecture for the large deviation function of the current of more general diffusive systems.

  11. The non-equilibrium nature of culinary evolution

    NASA Astrophysics Data System (ADS)

    Kinouchi, Osame; Diez-Garcia, Rosa W.; Holanda, Adriano J.; Zambianchi, Pedro; Roque, Antonio C.

    2008-07-01

    Food is an essential part of civilization, with a scope that ranges from the biological to the economic and cultural levels. Here, we study the statistics of ingredients and recipes taken from Brazilian, British, French and Medieval cookery books. We find universal distributions with scale invariant behaviour. We propose a copy-mutate process to model culinary evolution that fits our empirical data very well. We find a cultural 'founder effect' produced by the non-equilibrium dynamics of the model. Both the invariant and idiosyncratic aspects of culture are accounted for by our model, which may have applications in other kinds of evolutionary processes.

  12. Macroscopic Fluctuation Theory for Stationary Non-Equilibrium States

    NASA Astrophysics Data System (ADS)

    Bertini, L.; de Sole, A.; Gabrielli, D.; Jona-Lasinio, G.; Landim, C.

    2002-05-01

    We formulate a dynamical fluctuation theory for stationary non-equilibrium states (SNS) which is tested explicitly in stochastic models of interacting particles. In our theory a crucial role is played by the time reversed dynamics. Within this theory we derive the following results: the modification of the Onsager-Machlup theory in the SNS; a general Hamilton-Jacobi equation for the macroscopic entropy; a non-equilibrium, nonlinear fluctuation dissipation relation valid for a wide class of systems; an H theorem for the entropy. We discuss in detail two models of stochastic boundary driven lattice gases: the zero range and the simple exclusion processes. In the first model the invariant measure is explicitly known and we verify the predictions of the general theory. For the one dimensional simple exclusion process, as recently shown by Derrida, Lebowitz, and Speer, it is possible to express the macroscopic entropy in terms of the solution of a nonlinear ordinary differential equation; by using the Hamilton-Jacobi equation, we obtain a logically independent derivation of this result.

  13. Non-equilibrium phenomena in disordered colloidal solids

    NASA Astrophysics Data System (ADS)

    Yunker, Peter

    Colloidal particles are a convenient tool for studying a variety of non-equilibrium phenomena. I will discuss experiments that investigate the aging and non-equilibrium growth of disordered solids. In the first set of experiments, colloidal glasses are rapidly formed to study aging in jammed packings. A colloidal fluid, composed of micron-sized temperature-sensitive pNIPAM particles, is rapidly quenched into a colloidal glass. After the glass is formed, collective rearrangements occur as the glass ages. Particles that undergo irreversible rearrangements, which break nearest-neighbor pairings and allow the glass to relax, are identified. These irreversible rearrangements are accompanied by large clusters of fast moving particles; the number of particles involved in these clusters increases as the glass ages, leading to the slowing of dynamics that is characteristic of aging. In the second set of experiments, we study the role particle shape, and thus, interparticle interaction, plays in the formation of disordered solids with different structural and mechanical properties. Aqueous suspensions of colloidal particles with different shapes evaporate on glass slides. Convective flows during evaporation carry particles from drop center to drop edge, where they accumulate. The resulting particle deposits grow heterogeneously from the edge on the air-water interface. Three distinct growth processes were discovered in the evaporating colloidal suspensions by tuning particle shape-dependent capillary interactions and thus varying the microscopic rules of deposition. Mechanical testing of these particulate deposits reveals that the deposit bending rigidity increases as particles become more anisotropic in shape.

  14. Non-equilibrium theory of arrested spinodal decomposition.

    PubMed

    Olais-Govea, José Manuel; López-Flores, Leticia; Medina-Noyola, Magdaleno

    2015-11-07

    The non-equilibrium self-consistent generalized Langevin equation theory of irreversible relaxation [P. E. Ramŕez-González and M. Medina-Noyola, Phys. Rev. E 82, 061503 (2010); 82, 061504 (2010)] is applied to the description of the non-equilibrium processes involved in the spinodal decomposition of suddenly and deeply quenched simple liquids. For model liquids with hard-sphere plus attractive (Yukawa or square well) pair potential, the theory predicts that the spinodal curve, besides being the threshold of the thermodynamic stability of homogeneous states, is also the borderline between the regions of ergodic and non-ergodic homogeneous states. It also predicts that the high-density liquid-glass transition line, whose high-temperature limit corresponds to the well-known hard-sphere glass transition, at lower temperature intersects the spinodal curve and continues inside the spinodal region as a glass-glass transition line. Within the region bounded from below by this low-temperature glass-glass transition and from above by the spinodal dynamic arrest line, we can recognize two distinct domains with qualitatively different temperature dependence of various physical properties. We interpret these two domains as corresponding to full gas-liquid phase separation conditions and to the formation of physical gels by arrested spinodal decomposition. The resulting theoretical scenario is consistent with the corresponding experimental observations in a specific colloidal model system.

  15. Non-equilibrium theory of arrested spinodal decomposition

    NASA Astrophysics Data System (ADS)

    Olais-Govea, José Manuel; López-Flores, Leticia; Medina-Noyola, Magdaleno

    2015-11-01

    The non-equilibrium self-consistent generalized Langevin equation theory of irreversible relaxation [P. E. Ramŕez-González and M. Medina-Noyola, Phys. Rev. E 82, 061503 (2010); 82, 061504 (2010)] is applied to the description of the non-equilibrium processes involved in the spinodal decomposition of suddenly and deeply quenched simple liquids. For model liquids with hard-sphere plus attractive (Yukawa or square well) pair potential, the theory predicts that the spinodal curve, besides being the threshold of the thermodynamic stability of homogeneous states, is also the borderline between the regions of ergodic and non-ergodic homogeneous states. It also predicts that the high-density liquid-glass transition line, whose high-temperature limit corresponds to the well-known hard-sphere glass transition, at lower temperature intersects the spinodal curve and continues inside the spinodal region as a glass-glass transition line. Within the region bounded from below by this low-temperature glass-glass transition and from above by the spinodal dynamic arrest line, we can recognize two distinct domains with qualitatively different temperature dependence of various physical properties. We interpret these two domains as corresponding to full gas-liquid phase separation conditions and to the formation of physical gels by arrested spinodal decomposition. The resulting theoretical scenario is consistent with the corresponding experimental observations in a specific colloidal model system.

  16. The non-equilibrium and energetic cost of sensory adaptation

    SciTech Connect

    Lan, G.; Sartori, Pablo; Tu, Y.

    2011-03-24

    Biological sensory systems respond to external signals in short time and adapt to permanent environmental changes over a longer timescale to maintain high sensitivity in widely varying environments. In this work we have shown how all adaptation dynamics are intrinsically non-equilibrium and free energy is dissipated. We show that the dissipated energy is utilized to maintain adaptation accuracy. A universal relation between the energy dissipation and the optimum adaptation accuracy is established by both a general continuum model and a discrete model i n the specific case of the well-known E. coli chemo-sensory adaptation. Our study suggests that cellular level adaptations are fueled by hydrolysis of high energy biomolecules, such as ATP. The relevance of this work lies on linking the functionality of a biological system (sensory adaptation) with a concept rooted in statistical physics (energy dissipation), by a mathematical law. This has been made possible by identifying a general sensory system with a non-equilibrium steady state (a stationary state in which the probability current is not zero, but its divergence is, see figure), and then numerically and analytically solving the Fokker-Planck and Master Equations which describe the sensory adaptive system. The application of our general results to the case of E. Coli has shed light on why this system uses the high energy SAM molecule to perform adaptation, since using the more common ATP would not suffice to obtain the required adaptation accuracy.

  17. Non-equilibrium thermodynamics of harmonically trapped bosons

    NASA Astrophysics Data System (ADS)

    Ángel García-March, Miguel; Fogarty, Thomás; Campbell, Steve; Busch, Thomas; Paternostro, Mauro

    2016-10-01

    We apply the framework of non-equilibrium quantum thermodynamics to the physics of quenched small-sized bosonic quantum gases in a one-dimensional harmonic trap. We show that dynamical orthogonality can occur in these few-body systems with strong interactions after a quench and we find its occurrence analytically for an infinitely repulsive pair of atoms. We further show this phenomena is related to the fundamental excitations that dictate the dynamics from the spectral function. We establish a clear qualitative link between the amount of (irreversible) work performed on the system and the establishment of entanglement. We extend our analysis to multipartite systems by examining the case of three trapped atoms. We show the initial (pre-quench) interactions play a vital role in determining the dynamical features, while the qualitative features of the two particle case appear to remain valid. Finally, we propose the use of the atomic density profile as a readily accessible indicator of the non-equilibrium properties of the systems in question.

  18. Non-equilibrium thermodynamics analysis of transcriptional regulation kinetics

    NASA Astrophysics Data System (ADS)

    Hernández-Lemus, Enrique; Tovar, Hugo; Mejía, Carmen

    2014-12-01

    Gene expression in eukaryotic cells is an extremely complex and interesting phenomenon whose dynamics are controlled by a large number of subtle physicochemical processes commonly described by means of gene regulatory networks. Such networks consist in a series of coupled chemical reactions, conformational changes, and other biomolecular processes involving the interaction of the DNA molecule itself with a number of proteins usually called transcription factors as well as enzymes and other components. The kinetics behind the functioning of such gene regulatory networks are largely unknown, though its description in terms of non-equilibrium thermodynamics has been discussed recently. In this work we will derive general kinetic equations for a gene regulatory network from a non-equilibrium thermodynamical description and discuss its use in understanding the free energy constrains imposed in the network structure. We also will discuss explicit expressions for the kinetics of a simple model of gene regulation and show that the kinetic role of mRNA decay during the RNA synthesis stage (or transcription) is somehow limited due to the comparatively low values of decay rates. At the level discussed here, this implies a decoupling of the kinetics of mRNA synthesis and degradation a fact that may become quite useful when modeling gene regulatory networks from experimental data on whole genome gene expression.

  19. Scalar Fluctuations from Extended Non-equilibrium Thermodynamic States

    NASA Astrophysics Data System (ADS)

    Nettleton, R. E.

    1985-10-01

    In the framework of extended non-equilibrium thermodynamics, the local non-equilibrium state of a liquid is described by the density, temperature, and a structural variable, ζ, and its rate-of-change. ζ is the ensemble average of a function A (Q) of the configuration co-ordinates, and it is assumed to relax to local equilibrium in a time short compared to the time for diffusion of an appreciable number of particles into the system. By a projection operator technique of Grabert, an equation is derived from the Liouville equation for the distribution of fluctuations in TV, the particle number, and in A and Ȧ. An approximate solution is proposed which exhibits nonequilibrium corrections to the Einstein function in the form of a sum of thermodynamic forces. For a particular structural model, the corresponding non-Einstein contributions to correlation functions are estimated to be very small. For variables of the type considered here, the thermodynamic pressure is found to equal the pressure trace.

  20. Non-equilibrium theory of arrested spinodal decomposition

    SciTech Connect

    Olais-Govea, José Manuel; López-Flores, Leticia; Medina-Noyola, Magdaleno

    2015-11-07

    The non-equilibrium self-consistent generalized Langevin equation theory of irreversible relaxation [P. E. Ramŕez-González and M. Medina-Noyola, Phys. Rev. E 82, 061503 (2010); 82, 061504 (2010)] is applied to the description of the non-equilibrium processes involved in the spinodal decomposition of suddenly and deeply quenched simple liquids. For model liquids with hard-sphere plus attractive (Yukawa or square well) pair potential, the theory predicts that the spinodal curve, besides being the threshold of the thermodynamic stability of homogeneous states, is also the borderline between the regions of ergodic and non-ergodic homogeneous states. It also predicts that the high-density liquid-glass transition line, whose high-temperature limit corresponds to the well-known hard-sphere glass transition, at lower temperature intersects the spinodal curve and continues inside the spinodal region as a glass-glass transition line. Within the region bounded from below by this low-temperature glass-glass transition and from above by the spinodal dynamic arrest line, we can recognize two distinct domains with qualitatively different temperature dependence of various physical properties. We interpret these two domains as corresponding to full gas-liquid phase separation conditions and to the formation of physical gels by arrested spinodal decomposition. The resulting theoretical scenario is consistent with the corresponding experimental observations in a specific colloidal model system.

  1. Non-equilibrium configurational Prigogine-Defay ratio

    NASA Astrophysics Data System (ADS)

    Garden, Jean-Luc; Guillou, Hervé; Richard, Jacques; Wondraczek, Lothar

    2012-06-01

    Classically, the Prigogine-Defay (PD) ratio involves differences in isobaric heat capacity, isothermal compressibility, and isobaric thermal expansion coefficient between a super-cooled liquid and the corresponding glass at the glass transition. However, determining such differences by extrapolation of coefficients that have been measured for super-cooled liquid and glassy state, respectively, poses the problem that it does not exactly take into account the non-equilibrium character of the glass transition. In this paper, we assess this question by taking into account the time dependence of configurational contributions to the three thermodynamic coefficients in the glass transition range upon varying temperature and/or pressure. Macroscopic non-equilibrium thermodynamics is applied to obtain a generalised form of the PD ratio. The classical PD ratio can then be taken as a particular case of this generalisation. Under some assumptions, the configurational PD ratio (CPD ratio) can be expressed in terms of fictive temperature and fictive pressure which, hence, provides another possibility to experimentally verify this formalism.

  2. NON-EQUILIBRIUM ELECTRONS IN THE OUTSKIRTS OF GALAXY CLUSTERS

    SciTech Connect

    Avestruz, Camille; Nagai, Daisuke; Lau, Erwin T.; Nelson, Kaylea E-mail: camille.avestruz@yale.edu

    2015-08-01

    The analysis of X-ray and Sunyaev–Zel’dovich measurements of the intracluster medium (ICM) assumes that electrons are in thermal equilibrium with ions in the plasma. However, in the outskirts of galaxy clusters, the electron–ion equilibration timescale can become comparable to the Hubble time, leading to systematic biases in cluster mass estimates and mass-observable scaling relations. To quantify an upper limit of the impact of non-equilibrium electrons, we use a mass-limited sample of simulated galaxy clusters taken from a cosmological simulation with a two-temperature model that assumes the Spitzer equilibration time for the electrons and ions. We show that the temperature bias is more pronounced in more massive and rapidly accreting clusters. For the most extreme case, we find that the bias is of the order of 10% at half of the cluster virial radius and increases to 40% at the edge of the cluster. Gas in filaments is less susceptible to the non-equilibrium effect, leading to azimuthal variations in the temperature bias at large cluster-centric radii. Using mock Chandra observations of simulated clusters, we show that the bias manifests in ultra-deep X-ray observations of cluster outskirts and quantify the resulting biases in hydrostatic mass and cluster temperature derived from these observations. We provide a mass-dependent fitting function for the temperature bias profile, which can be useful for modeling the effect of electron-ion equilibration in galaxy clusters.

  3. Turbulence as a Problem in Non-equilibrium Statistical Mechanics

    NASA Astrophysics Data System (ADS)

    Goldenfeld, Nigel; Shih, Hong-Yan

    2016-12-01

    The transitional and well-developed regimes of turbulent shear flows exhibit a variety of remarkable scaling laws that are only now beginning to be systematically studied and understood. In the first part of this article, we summarize recent progress in understanding the friction factor of turbulent flows in rough pipes and quasi-two-dimensional soap films, showing how the data obey a two-parameter scaling law known as roughness-induced criticality, and exhibit power-law scaling of friction factor with Reynolds number that depends on the precise form of the nature of the turbulent cascade. These results hint at a non-equilibrium fluctuation-dissipation relation that applies to turbulent flows. The second part of this article concerns the lifetime statistics in smooth pipes around the transition, showing how the remarkable super-exponential scaling with Reynolds number reflects deep connections between large deviation theory, extreme value statistics, directed percolation and the onset of coexistence in predator-prey ecosystems. Both these phenomena reflect the way in which turbulence can be fruitfully approached as a problem in non-equilibrium statistical mechanics.

  4. Non-equilibrium Thermodynamics of Rayleigh-Taylor Instability

    NASA Astrophysics Data System (ADS)

    Sengupta, Tapan K.; Sengupta, Aditi; Sengupta, Soumyo; Bhole, Ashish; Shruti, K. S.

    2016-04-01

    Here, the fundamental problem of Rayleigh-Taylor instability (RTI) is studied by direct numerical simulation (DNS), where the two air masses at different temperatures, kept apart initially by a non-conducting horizontal interface in a 2D box, are allowed to mix. Upon removal of the partition, mixing is controlled by RTI, apart from mutual mass, momentum, and energy transfer. To accentuate the instability, the top chamber is filled with the heavier (lower temperature) air, which rests atop the chamber containing lighter air. The partition is positioned initially at mid-height of the box. As the fluid dynamical system considered is completely isolated from outside, the DNS results obtained without using Boussinesq approximation will enable one to study non-equilibrium thermodynamics of a finite reservoir undergoing strong irreversible processes. The barrier is removed impulsively, triggering baroclinic instability by non-alignment of density, and pressure gradient by ambient disturbances via the sharp discontinuity at the interface. Adopted DNS method has dispersion relation preservation properties with neutral stability and does not require any external initial perturbations. The complete inhomogeneous problem with non-periodic, no-slip boundary conditions is studied by solving compressible Navier-Stokes equation, without the Boussinesq approximation. This is important as the temperature difference between the two air masses considered is high enough (Δ T = 70 K) to invalidate Boussinesq approximation. We discuss non-equilibrium thermodynamical aspects of RTI with the help of numerical results for density, vorticity, entropy, energy, and enstrophy.

  5. NON-EQUILIBRIUM IONIZATION MODELING OF THE CURRENT SHEET IN A SIMULATED SOLAR ERUPTION

    SciTech Connect

    Shen Chengcai; Reeves, Katharine K.; Raymond, John C.; Murphy, Nicholas A.; Ko, Yuan-Kuen; Lin Jun; Mikic, Zoran; Linker, Jon A.

    2013-08-20

    The current sheet that extends from the top of flare loops and connects to an associated flux rope is a common structure in models of coronal mass ejections (CMEs). To understand the observational properties of CME current sheets, we generated predictions from a flare/CME model to be compared with observations. We use a simulation of a large-scale CME current sheet previously reported by Reeves et al. This simulation includes ohmic and coronal heating, thermal conduction, and radiative cooling in the energy equation. Using the results of this simulation, we perform time-dependent ionization calculations of the flow in a CME current sheet and construct two-dimensional spatial distributions of ionic charge states for multiple chemical elements. We use the filter responses from the Atmospheric Imaging Assembly (AIA) on the Solar Dynamics Observatory and the predicted intensities of emission lines to compute the count rates for each of the AIA bands. The results show differences in the emission line intensities between equilibrium and non-equilibrium ionization. The current sheet plasma is underionized at low heights and overionized at large heights. At low heights in the current sheet, the intensities of the AIA 94 A and 131 A channels are lower for non-equilibrium ionization than for equilibrium ionization. At large heights, these intensities are higher for non-equilibrium ionization than for equilibrium ionization inside the current sheet. The assumption of ionization equilibrium would lead to a significant underestimate of the temperature low in the current sheet and overestimate at larger heights. We also calculate the intensities of ultraviolet lines and predict emission features to be compared with events from the Ultraviolet Coronagraph Spectrometer on the Solar and Heliospheric Observatory, including a low-intensity region around the current sheet corresponding to this model.

  6. Directivity of acoustic radiation from sources

    NASA Technical Reports Server (NTRS)

    Lansing, D. L.

    1979-01-01

    The radiation properties of acoustic monopoles and dipoles are described. The directivity of radiation from these sources in a free field and in the presence of an absorptive surface is described. The kinematic effects on source radiation due to translation and rotation are discussed. Experimental measurements of sound from an acoustic monopole in motion and the characteristics of helicopter rotor and propeller noise are reviewed. An introduction is provided to several essential concepts required by noise control engineers making measurements of noise from moving sources in the proximity of the ground.

  7. Directivity of acoustic radiation from sources

    NASA Technical Reports Server (NTRS)

    Lansing, D. L.

    1979-01-01

    The radiation properties of acoustic monopoles and dipoles are described, as well as the directivity of radiation from these sources in a free field and in the presence of an absorptive surface. The kinematic effects on source radiation due to translation and rotation are discussed. Experimental measurements of sound from an acoustic monopole in motion and the characteristics of helicopter rotor and propeller noise are reviewed. Several essential concepts required by noise control engineers making measurements of noise from moving sources in the proximity of the ground are introduced.

  8. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

    NASA Astrophysics Data System (ADS)

    Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

    2015-04-01

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  9. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures.

    PubMed

    Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

    2015-04-07

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  10. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

    SciTech Connect

    Liu, Yen Vinokur, Marcel; Panesi, Marco; Sahai, Amal

    2015-04-07

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  11. Non-equilibrium phase transitions in a liquid crystal.

    PubMed

    Dan, K; Roy, M; Datta, A

    2015-09-07

    The present manuscript describes kinetic behaviour of the glass transition and non-equilibrium features of the "Nematic-Isotropic" (N-I) phase transition of a well known liquid crystalline material N-(4-methoxybenzylidene)-4-butylaniline from the effects of heating rate and initial temperature on the transitions, through differential scanning calorimetry (DSC), Fourier transform infrared and fluorescence spectroscopy. Around the vicinity of the glass transition temperature (Tg), while only a change in the baseline of the ΔCp vs T curve is observed for heating rate (β) > 5 K min(-1), consistent with a glass transition, a clear peak for β ≤ 5 K min(-1) and the rapid reduction in the ΔCp value from the former to the latter rate correspond to an order-disorder transition and a transition from ergodic to non-ergodic behaviour. The ln β vs 1000/T curve for the glass transition shows convex Arrhenius behaviour that can be explained very well by a purely entropic activation barrier [Dan et al., Eur. Phys. Lett. 108, 36007 (2014)]. Fourier transform infrared spectroscopy indicates sudden freezing of the out-of-plane distortion vibrations of the benzene rings around the glass transition temperature and a considerable red shift indicating enhanced coplanarity of the benzene rings and, consequently, enhancement in the molecular ordering compared to room temperature. We further provide a direct experimental evidence of the non-equilibrium nature of the N-I transition through the dependence of this transition temperature (TNI) and associated enthalpy change (ΔH) on the initial temperature (at fixed β-values) for the DSC scans. A plausible qualitative explanation based on Mesquita's extension of Landau-deGennes theory [O. N. de Mesquita, Braz. J. Phys. 28, 257 (1998)] has been put forward. The change in the molecular ordering from nematic to isotropic phase has been investigated through fluorescence anisotropy measurements where the order parameter, quantified by the

  12. Non-equilibrium phase transitions in a liquid crystal

    NASA Astrophysics Data System (ADS)

    Dan, K.; Roy, M.; Datta, A.

    2015-09-01

    The present manuscript describes kinetic behaviour of the glass transition and non-equilibrium features of the "Nematic-Isotropic" (N-I) phase transition of a well known liquid crystalline material N-(4-methoxybenzylidene)-4-butylaniline from the effects of heating rate and initial temperature on the transitions, through differential scanning calorimetry (DSC), Fourier transform infrared and fluorescence spectroscopy. Around the vicinity of the glass transition temperature (Tg), while only a change in the baseline of the ΔCp vs T curve is observed for heating rate (β) > 5 K min-1, consistent with a glass transition, a clear peak for β ≤ 5 K min-1 and the rapid reduction in the ΔCp value from the former to the latter rate correspond to an order-disorder transition and a transition from ergodic to non-ergodic behaviour. The ln β vs 1000/T curve for the glass transition shows convex Arrhenius behaviour that can be explained very well by a purely entropic activation barrier [Dan et al., Eur. Phys. Lett. 108, 36007 (2014)]. Fourier transform infrared spectroscopy indicates sudden freezing of the out-of-plane distortion vibrations of the benzene rings around the glass transition temperature and a considerable red shift indicating enhanced coplanarity of the benzene rings and, consequently, enhancement in the molecular ordering compared to room temperature. We further provide a direct experimental evidence of the non-equilibrium nature of the N-I transition through the dependence of this transition temperature (TNI) and associated enthalpy change (ΔH) on the initial temperature (at fixed β-values) for the DSC scans. A plausible qualitative explanation based on Mesquita's extension of Landau-deGennes theory [O. N. de Mesquita, Braz. J. Phys. 28, 257 (1998)] has been put forward. The change in the molecular ordering from nematic to isotropic phase has been investigated through fluorescence anisotropy measurements where the order parameter, quantified by the

  13. Electrodeless microwave source of UV radiation

    NASA Astrophysics Data System (ADS)

    Barkhudarov, E. M.; Kozlov, Yu. N.; Kossyi, I. A.; Malykh, N. I.; Misakyan, M. A.; Taktakishvili, I. M.; Khomichenko, A. A.

    2012-06-01

    The parameters of an electrodeless microwave low-pressure discharge in an Ar + Hg vapor mixture are studied, the design of a UV radiation source for water disinfection is suggested, and its main characteristics are presented. The domestic microwave oven ( f = 2.45 GHz; N = kW) is used as a microwave radiation source. The maximal UV power at wavelength λ = 254 nm amounts to 120-130 W.

  14. Entropy production in photovoltaic-thermoelectric nanodevices from the non-equilibrium Green's function formalism.

    PubMed

    Michelini, Fabienne; Crépieux, Adeline; Beltako, Katawoura

    2017-05-04

    We discuss some thermodynamic aspects of energy conversion in electronic nanosystems able to convert light energy into electrical or/and thermal energy using the non-equilibrium Green's function formalism. In a first part, we derive the photon energy and particle currents inside a nanosystem interacting with light and in contact with two electron reservoirs at different temperatures. Energy conservation is verified, and radiation laws are discussed from electron non-equilibrium Green's functions. We further use the photon currents to formulate the rate of entropy production for steady-state nanosystems, and we recast this rate in terms of efficiency for specific photovoltaic-thermoelectric nanodevices. In a second part, a quantum dot based nanojunction is closely examined using a two-level model. We show analytically that the rate of entropy production is always positive, but we find numerically that it can reach negative values when the derived particule and energy currents are empirically modified as it is usually done for modeling realistic photovoltaic systems.

  15. Complementary relations in non-equilibrium stochastic processes

    NASA Astrophysics Data System (ADS)

    Kim, Eun-jin; Nicholson, S. B.

    2015-08-01

    We present novel complementary relations in non-equilibrium stochastic processes. Specifically, by utilising path integral formulation, we derive statistical measures (entropy, information, and work) and investigate their dependence on variables (x, v), reference frames, and time. In particular, we show that the equilibrium state maximises the simultaneous information quantified by the product of the Fisher information based on x and v while minimising the simultaneous disorder/uncertainty quantified by the sum of the entropy based on x and v as well as by the product of the variances of the PDFs of x and v. We also elucidate the difference between Eulerian and Lagrangian entropy. Our theory naturally leads to Hamilton-Jacobi relation for forced-dissipative systems.

  16. Dynamical Systems Based Non Equilibrium Statistical Mechanics for Markov Chains

    NASA Astrophysics Data System (ADS)

    Prevost, Mireille

    We introduce an abstract framework concerning non-equilibrium statistical mechanics in the specific context of Markov chains. This framework encompasses both the Evans-Searles and the Gallavotti-Cohen fluctuation theorems. To support and expand on these concepts, several results are proven, among which a central limit theorem and a large deviation principle. The interest for Markov chains is twofold. First, they model a great variety of physical systems. Secondly, their simplicity allows for an easy introduction to an otherwise complicated field encompassing the statistical mechanics of Anosov and Axiom A diffeomorphisms. We give two examples relating the present framework to physical cases modelled by Markov chains. One of these concerns chemical reactions and links key concepts from the framework to their well known physical counterpart.

  17. Plasma diagnostics of non-equilibrium atmospheric plasma jets

    NASA Astrophysics Data System (ADS)

    Shashurin, Alexey; Scott, David; Keidar, Michael; Shneider, Mikhail

    2014-10-01

    Intensive development and biomedical application of non-equilibrium atmospheric plasma jet (NEAPJ) facilitates rapid growth of the plasma medicine field. The NEAPJ facility utilized at the George Washington University (GWU) demonstrated efficacy for treatment of various cancer types (lung, bladder, breast, head, neck, brain and skin). In this work we review recent advances of the research conducted at GWU concerned with the development of NEAPJ diagnostics including Rayleigh Microwave Scattering setup, method of streamer scattering on DC potential, Rogowski coils, ICCD camera and optical emission spectroscopy. These tools allow conducting temporally-resolved measurements of plasma density, electrical potential, charge and size of the streamer head, electrical currents flowing though the jet, ionization front propagation speed etc. Transient dynamics of plasma and discharge parameters will be considered and physical processes involved in the discharge will be analyzed including streamer breakdown, electrical coupling of the streamer tip with discharge electrodes, factors determining NEAPJ length, cross-sectional shape and propagation path etc.

  18. A non-equilibrium formulation of food security resilience.

    PubMed

    Smerlak, Matteo; Vaitla, Bapu

    2017-01-01

    Resilience, the ability to recover from adverse events, is of fundamental importance to food security. This is especially true in poor countries, where basic needs are frequently threatened by economic, environmental and health shocks. An empirically sound formalization of the concept of food security resilience, however, is lacking. Here, we introduce a general non-equilibrium framework for quantifying resilience based on the statistical notion of persistence. Our approach can be applied to any food security variable for which high-frequency time-series data are available. We illustrate our method with per capita kilocalorie availability for 161 countries between 1961 and 2011. We find that resilient countries are not necessarily those that are characterized by high levels or less volatile fluctuations of kilocalorie intake. Accordingly, food security policies and programmes will need to be tailored not only to welfare levels at any one time, but also to long-run welfare dynamics.

  19. Relativistic hydrodynamics and non-equilibrium steady states

    NASA Astrophysics Data System (ADS)

    Spillane, Michael; Herzog, Christopher P.

    2016-10-01

    We review recent interest in the relativistic Riemann problem as a method for generating a non-equilibrium steady state. In the version of the problem under consideration, the initial conditions consist of a planar interface between two halves of a system held at different temperatures in a hydrodynamic regime. The new double shock solutions are in contrast with older solutions that involve one shock and one rarefaction wave. We use numerical simulations to show that the older solutions are preferred. Briefly we discuss the effects of a conserved charge. Finally, we discuss deforming the relativistic equations with a nonlinear term and how that deformation affects the temperature and velocity in the region connecting the asymptotic fluids.

  20. Non-equilibrium Thermodynamics of the Longitudinal Spin Seebeck Effect

    NASA Astrophysics Data System (ADS)

    Basso, Vittorio; Ferraro, Elena; Sola, Alessandro; Magni, Alessandro; Kuepferling, Michaela; Pasquale, Massimo

    In this paper we employ non equilibrium thermodynamics of fluxes and forces to describe magnetization and heat transport. By the theory we are able to identify the thermodynamic driving force of the magnetization current as the gradient of the effective field ▿H*. This definition permits to define the spin Seebeck coefficient ɛM which relates ▿H* and the temperature gradient ▿T. By applying the theory to the geometry of the longitudinal spin Seebeck effect we are able to obtain the optimal conditions for generating large magnetization currents. Furthermore, by using the results of recent experiments, we obtain an order of magnitude for the value of ɛM ∼ 10-2 TK-1 for yttrium iron garnet (Y3Fe5O12).

  1. Microscopic versus macroscopic approaches to non-equilibrium systems

    NASA Astrophysics Data System (ADS)

    Derrida, Bernard

    2011-01-01

    The one-dimensional symmetric simple exclusion process (SSEP) is one of the very few exactly soluble models of non-equilibrium statistical physics. It describes a system of particles which diffuse with hard core repulsion on a one-dimensional lattice in contact with two reservoirs of particles at unequal densities. The goal of this paper is to review the two main approaches which lead to the exact expression of the large deviation functional of the density of the SSEP in its steady state: a microscopic approach (based on the matrix product ansatz and an additivity property) and a macroscopic approach (based on the macroscopic fluctuation theory of Bertini, De Sole, Gabrielli, Jona-Lasinio and Landim).

  2. Non-Equilibrium Conductivity at Quantum Critical Points

    NASA Astrophysics Data System (ADS)

    Berridge, Andrew; Bhaseen, M. J.; Green, A. G.

    2013-03-01

    The behaviour of quantum systems driven out of equilibrium is a field in which we are still searching for general principles and universal results. Quantum critical systems are useful in this search as their out of equilibrium steady states may inherit universal features from equilibrium. While this has been shown in some cases, the calculational techniques used often involve simplified models or calculational tricks, which can obscure some of the underlying physical processes. Here we use a Boltzmann transport approach to study the steady-state non-equilibrium properties - conductivity and current noise, of the Bose-Hubbard model head-on. We must explicitly consider heat-flow and rate limiting processes in the establishment of the steady-state to show that it can indeed be universal. Our analysis reveals the importance of the hydrodynamic limit and the limitations of current approaches.

  3. Thermal Non-equilibrium Consistent with Widespread Cooling

    NASA Technical Reports Server (NTRS)

    Winebarger, A.; Lionello, R.; Mikic, Z.; Linker, J.; Mok, Y.

    2014-01-01

    Time correlation analysis has been used to show widespread cooling in the solar corona; this cooling has been interpreted as a result of impulsive (nanoflare) heating. In this work, we investigate wide-spread cooling using a 3D model for a solar active region which has been heated with highly stratified heating. This type of heating drives thermal non-equilibrium solutions, meaning that though the heating is effectively steady, the density and temperature in the solution are not. We simulate the expected observations in narrowband EUV images and apply the time correlation analysis. We find that the results of this analysis are qualitatively similar to the observed data. We discuss additional diagnostics that may be applied to differentiate between these two heating scenarios.

  4. A non-equilibrium formulation of food security resilience

    PubMed Central

    Vaitla, Bapu

    2017-01-01

    Resilience, the ability to recover from adverse events, is of fundamental importance to food security. This is especially true in poor countries, where basic needs are frequently threatened by economic, environmental and health shocks. An empirically sound formalization of the concept of food security resilience, however, is lacking. Here, we introduce a general non-equilibrium framework for quantifying resilience based on the statistical notion of persistence. Our approach can be applied to any food security variable for which high-frequency time-series data are available. We illustrate our method with per capita kilocalorie availability for 161 countries between 1961 and 2011. We find that resilient countries are not necessarily those that are characterized by high levels or less volatile fluctuations of kilocalorie intake. Accordingly, food security policies and programmes will need to be tailored not only to welfare levels at any one time, but also to long-run welfare dynamics. PMID:28280586

  5. Non-equilibrium Thermodynamics of Rayleigh-Taylor instability

    NASA Astrophysics Data System (ADS)

    Sengupta, Tapan K.; Sengupta, Aditi; Shruti, K. S.; Sengupta, Soumyo; Bhole, Ashish

    2016-10-01

    Rayleigh-Taylor instability (RTI) has been studied here as a non-equilibrium thermodynamics problem. Air masses with temperature difference of 70K, initially with heavier air resting on lighter air isolated by a partition, are allowed to mix by impulsively removing the partition. This results in interface instabilities, which are traced here by solving two dimensional (2D) compressible Navier-Stokes equation (NSE), without using Boussinesq approximation (BA henceforth). The non-periodic isolated system is studied by solving NSE by high accuracy, dispersion relation preserving (DRP) numerical methods described in Sengupta T.K.: High Accuracy Computing Method (Camb. Univ. Press, USA, 2013). The instability onset is due to misaligned pressure and density gradients and is evident via creation and evolution of spikes and bubbles (when lighter fluid penetrates heavier fluid and vice versa, associated with pressure waves). Assumptions inherent in compressible formulation are: (i) Stokes' hypothesis that uses zero bulk viscosity assumption and (ii) the equation of state for perfect gas which is a consequence of equilibrium thermodynamics. Present computations for a non-equilibrium thermodynamic process do not show monotonic rise of entropy with time, as one expects from equilibrium thermodynamics. This is investigated with respect to the thought-experiment. First, we replace Stokes' hypothesis, with another approach where non-zero bulk viscosity of air is taken from an experiment. Entropy of the isolated system is traced, with and without the use of Stokes' hypothesis. Without Stokes' hypothesis, one notes the rate of increase in entropy to be higher as compared to results with Stokes' hypothesis. We show this using the total entropy production for the thermodynamically isolated system. The entropy increase from the zero datum is due to mixing in general; punctuated by fluctuating entropy due to creation of compression and rarefaction fronts originating at the interface

  6. Modeling Inflation Using a Non-Equilibrium Equation of Exchange

    NASA Technical Reports Server (NTRS)

    Chamberlain, Robert G.

    2013-01-01

    Inflation is a change in the prices of goods that takes place without changes in the actual values of those goods. The Equation of Exchange, formulated clearly in a seminal paper by Irving Fisher in 1911, establishes an equilibrium relationship between the price index P (also known as "inflation"), the economy's aggregate output Q (also known as "the real gross domestic product"), the amount of money available for spending M (also known as "the money supply"), and the rate at which money is reused V (also known as "the velocity of circulation of money"). This paper offers first a qualitative discussion of what can cause these factors to change and how those causes might be controlled, then develops a quantitative model of inflation based on a non-equilibrium version of the Equation of Exchange. Causal relationships are different from equations in that the effects of changes in the causal variables take time to play out-often significant amounts of time. In the model described here, wages track prices, but only after a distributed lag. Prices change whenever the money supply, aggregate output, or the velocity of circulation of money change, but only after a distributed lag. Similarly, the money supply depends on the supplies of domestic and foreign money, which depend on the monetary base and a variety of foreign transactions, respectively. The spreading of delays mitigates the shocks of sudden changes to important inputs, but the most important aspect of this model is that delays, which often have dramatic consequences in dynamic systems, are explicitly incorporated.macroeconomics, inflation, equation of exchange, non-equilibrium, Athena Project

  7. An Initial Non-Equilibrium Porous-Media Model for CFD Simulation of Stirling Regenerators

    NASA Technical Reports Server (NTRS)

    Tew, Roy; Simon, Terry; Gedeon, David; Ibrahim, Mounir; Rong, Wei

    2006-01-01

    The objective of this paper is to define empirical parameters (or closwre models) for an initial thermai non-equilibrium porous-media model for use in Computational Fluid Dynamics (CFD) codes for simulation of Stirling regenerators. The two CFD codes currently being used at Glenn Research Center (GRC) for Stirling engine modeling are Fluent and CFD-ACE. The porous-media models available in each of these codes are equilibrium models, which assmne that the solid matrix and the fluid are in thermal equilibrium at each spatial location within the porous medium. This is believed to be a poor assumption for the oscillating-flow environment within Stirling regenerators; Stirling 1-D regenerator models, used in Stirling design, we non-equilibrium regenerator models and suggest regenerator matrix and gas average temperatures can differ by several degrees at a given axial location end time during the cycle. A NASA regenerator research grant has been providing experimental and computational results to support definition of various empirical coefficients needed in defining a noa-equilibrium, macroscopic, porous-media model (i.e., to define "closure" relations). The grant effort is being led by Cleveland State University, with subcontractor assistance from the University of Minnesota, Gedeon Associates, and Sunpower, Inc. Friction-factor and heat-transfer correlations based on data taken with the NASAlSunpower oscillating-flow test rig also provide experimentally based correlations that are useful in defining parameters for the porous-media model; these correlations are documented in Gedeon Associates' Sage Stirling-Code Manuals. These sources of experimentally based information were used to define the following terms and parameters needed in the non-equilibrium porous-media model: hydrodynamic dispersion, permeability, inertial coefficient, fluid effective thermal conductivity (including themal dispersion and estimate of tortuosity effects}, and fluid-solid heat transfer

  8. Numerical Simulation of Non-Equilibrium Plasma Discharge for High Speed Flow Control

    NASA Astrophysics Data System (ADS)

    Balasubramanian, Ramakrishnan; Anandhanarayanan, Karupannasamy; Krishnamurthy, Rajah; Chakraborty, Debasis

    2016-06-01

    Numerical simulation of hypersonic flow control using plasma discharge technique is carried out using an in-house developed code CERANS-TCNEQ. The study is aimed at demonstrating a proof of concept futuristic aerodynamic flow control device. The Kashiwa Hypersonic and High Temperature wind tunnel study of plasma discharge over a flat plate had been considered for numerical investigation. The 7-species, 18-reaction thermo-chemical non-equilibrium, two-temperature air-chemistry model due Park is used to model the weakly ionized flow. Plasma discharge is modeled as Joule heating source terms in both the translation-rotational and vibrational energy equations. Comparison of results for plasma discharge at Mach 7 over a flat plate with the reference data reveals that the present study is able to mimic the exact physics of complex flow such as formation of oblique shock wave ahead of the plasma discharge region with a resultant rise in surface pressure and vibrational temperature up to 7000 K demonstrating the use of non-equilibrium plasma discharge for flow control at hypersonic speeds.

  9. Equilibrium and non-equilibrium dynamics simultaneously operate in the Galápagos islands.

    PubMed

    Valente, Luis M; Phillimore, Albert B; Etienne, Rampal S

    2015-08-01

    Island biotas emerge from the interplay between colonisation, speciation and extinction and are often the scene of spectacular adaptive radiations. A common assumption is that insular diversity is at a dynamic equilibrium, but for remote islands, such as Hawaii or Galápagos, this idea remains untested. Here, we reconstruct the temporal accumulation of terrestrial bird species of the Galápagos using a novel phylogenetic method that estimates rates of biota assembly for an entire community. We show that species richness on the archipelago is in an ascending phase and does not tend towards equilibrium. The majority of the avifauna diversifies at a slow rate, without detectable ecological limits. However, Darwin's finches form an exception: they rapidly reach a carrying capacity and subsequently follow a coalescent-like diversification process. Together, these results suggest that avian diversity of remote islands is rising, and challenge the mutual exclusivity of the non-equilibrium and equilibrium ecological paradigms.

  10. On source radiation. [power output computation

    NASA Technical Reports Server (NTRS)

    Levine, H.

    1980-01-01

    The power output from given sources is usually ascertained via an energy flux integral over the normal directions to a remote (farfield) surface; an alternative procedure, which utilizes an integral that specifies the direct rate of working by the source on the resultant field, is described and illustrated for both point and continuous source distributions. A comparison between the respective procedures is made in the analysis of sound radiated from a periodic dipole source whose axis rotates in a plane, on a full or partial angular range, with prescribed frequency. Thus, adopting a conventional approach, Sretenskii (1956) characterizes the rotating dipole in terms of an infinite number of stationary ones along a pair of orthogonal directions in the plane and, through the farfield representation of the latter, arrives at a series development for the instantaneous radiated power, whereas the local manner of power calculation dispenses with the equivalent infinite aggregate of sources and yields a compact analytical result.

  11. Synchrotron Radiation, Polarization, Devices and New Sources

    NASA Astrophysics Data System (ADS)

    Couprie, Marie-Emmanuelle; Valléau, Mathieu

    Synchrotron radiation is emitted by accelerated relativistic charged particles. In accelerators, it is produced when the particle trajectory is subjected to a magnetic field, either in bending magnets or in specific insertion devices (undulators or wigglers) made of an alternated succession of magnets, allowing the number of curvatures to be increased and the radiation to be reinforced. Synchrotron radiation, tunable from infra-red to x-rays, has a low divergence and small size source, and it can provide different types of polarization. It produces radiation pulses, whose duration results from that of the electron bunch from which they are generated. The repetition rate also depends on the accelerator type: high (typically MHz for storage rings, kHz for superconducting linear accelerators) and 10 to 100 Hz (for normal conducting linear accelerators). Longitudinally coherent radiation can also be generatedf or long bunches with respect to the emitted wavelength or thanks to the Free Electron Laser process.

  12. Management of spent sealed radiation sources.

    PubMed

    Vicente, Roberto; Sordi, Gian-Maria; Hiromoto, Goro

    2004-05-01

    Spent or disused sealed radiation sources--no longer needed sources--may represent a risk of radiological accident or may be a target for criminal acts in countries where final disposal options are unavailable and where an increasing number of sources are being kept in extended storage. In developing countries, thousands of radium needles, teletherapy sources, oil well logging neutron sources, and miscellaneous industrial radioactive gauges are annually collected as waste and stored in research institutes. The objectives of the study described in this paper are to inventory such sources in Brazil, including those presently in use and those already collected as waste, and to design a dedicated repository where spent sources could be disposed of properly. The inventory of sources in Brazil and the concept of the repository are presented and its feasibility is discussed.

  13. Jovian S emission: Model of radiation source

    NASA Astrophysics Data System (ADS)

    Ryabov, B. P.

    1994-04-01

    A physical model of the radiation source and an excitation mechanism have been suggested for the S component in Jupiter's sporadic radio emission. The model provides a unique explanation for most of the interrelated phenomena observed, allowing a consistent interpretation of the emission cone structure, behavior of the integrated radio spectrum, occurrence probability of S bursts, location and size of the radiation source, and fine structure of the dynamic spectra. The mechanism responsible for the S bursts is also discussed in connection with the L type emission. Relations are traced between parameters of the radio emission and geometry of the Io flux tube. Fluctuations in the current amplitude through the tube are estimated, along with the refractive index value and mass density of the plasma near the radiation source.

  14. Characterization of coherent Cherenkov radiation source

    NASA Astrophysics Data System (ADS)

    Smirnov, A. V.

    2015-01-01

    Engineering formulae for calculation of peak, and spectral brightness of resonant long-range wakefield extractor are given. It is shown that the brightness is dominated by beam density in the slow wave structure and antenna gain of the outcoupling. Far field radiation patterns and brightness of circular and high aspect ratio planar radiators are compared. A possibility to approach diffraction limited brightness is demonstrated. The role of group velocity in designing of the Cherenkov source is analyzed. The approach can be applied for design and characterization of various structure-dominated sources (e.g., wakefield extractors with gratings or dielectrics, or FEL-Cherenkov combined sources) radiating into a free space using an antenna (in microwave to sub-mm wave regions). The high group velocity structures can be also effective as energy dechirpers and for diagnostics of microbunched relativistic electron beams.

  15. Non-Equilibrium Turbulence and Two-Equation Modeling

    NASA Technical Reports Server (NTRS)

    Rubinstein, Robert

    2011-01-01

    Two-equation turbulence models are analyzed from the perspective of spectral closure theories. Kolmogorov theory provides useful information for models, but it is limited to equilibrium conditions in which the energy spectrum has relaxed to a steady state consistent with the forcing at large scales; it does not describe transient evolution between such states. Transient evolution is necessarily through nonequilibrium states, which can only be found from a theory of turbulence evolution, such as one provided by a spectral closure. When the departure from equilibrium is small, perturbation theory can be used to approximate the evolution by a two-equation model. The perturbation theory also gives explicit conditions under which this model can be valid, and when it will fail. Implications of the non-equilibrium corrections for the classic Tennekes-Lumley balance in the dissipation rate equation are drawn: it is possible to establish both the cancellation of the leading order Re1/2 divergent contributions to vortex stretching and enstrophy destruction, and the existence of a nonzero difference which is finite in the limit of infinite Reynolds number.

  16. Non-equilibrium plasma prevention of Schistosoma japonicum transmission

    PubMed Central

    Wang, Xing-Quan; Wang, Feng-Peng; Chen, Wei; Huang, Jun; Bazaka, Kateryna; Ostrikov, Kostya (Ken)

    2016-01-01

    Schistosoma japonicum is a widespread human and animal parasite that causes intestinal and hepatosplenic schistosomiasis linked to colon, liver and bladder cancers, and anemia. Estimated 230 million people are currently infected with Schistosoma spp, with 779 million people at risk of contracting the parasite. Infection occurs when a host comes into contact with cercariae, a planktonic larval stage of the parasite, and can be prevented by inactivating the larvae, commonly by chemical treatment. We investigated the use of physical non-equilibrium plasma generated at atmospheric pressure using custom-made dielectric barrier discharge reactor to kill S. japonicum cercariae. Survival rate decreased with treatment time and applied power. Plasmas generated in O2 and air gas discharges were more effective in killing S. japonicum cercariae than that generated in He, which is directly related to the mechanism by which cercariae are inactivated. Reactive oxygen species, such as O atoms, abundant in O2 plasma and NO in air plasma play a major role in killing of S. japonicum cercariae via oxidation mechanisms. Similar level of efficacy is also shown for a gliding arc discharge plasma jet generated in ambient air, a system that may be more appropriate for scale-up and integration into existing water treatment processes. PMID:27739459

  17. Non-equilibrium Transport in Carbon based Adsorbate Systems

    NASA Astrophysics Data System (ADS)

    Fürst, Joachim; Brandbyge, Mads; Stokbro, Kurt; Jauho, Antti-Pekka

    2007-03-01

    We have used the Atomistix Tool Kit(ATK) and TranSIESTA[1] packages to investigate adsorption of iron atoms on a graphene sheet. The technique of both codes is based on density functional theory using local basis sets[2], and non-equilibrium Green's functions (NEGF) to calculate the charge distribution under external bias. Spin dependent electronic structure calculations are performed for different iron coverages. These reveal adsorption site dependent charge transfer from iron to graphene leading to screening effects. Transport calculations show spin dependent scattering of the transmission which is analysed obtaining the transmission eigenchannels for each spin type. The phenomena of electromigration of iron in these systems at finite bias will be discussed, estimating the so-called wind force from the reflection[3]. [1] M. Brandbyge, J.-L. Mozos, P. Ordejon, J. Taylor, and K. Stokbro. Physical Review B (Condensed Matter and Materials Physics), 65(16):165401/11-7, 2002. [2] Jose M. Soler, Emilio Artacho, Julian D. Gale, Alberto Garcia, Javier Junquera, Pablo Ordejon, and Daniel Sanchez-Portal. Journal of Physics Condensed Matter, 14(11):2745-2779, 2002. [3] Sorbello. Theory of electromigration. Solid State Physics, 1997.

  18. A probability theory for non-equilibrium gravitational systems

    NASA Astrophysics Data System (ADS)

    Peñarrubia, Jorge

    2015-08-01

    This paper uses dynamical invariants to describe the evolution of collisionless systems subject to time-dependent gravitational forces without resorting to maximum-entropy probabilities. We show that collisionless relaxation can be viewed as a special type of diffusion process in the integral-of-motion space. In time-varying potentials with a fixed spatial symmetry the diffusion coefficients are closely related to virial quantities, such as the specific moment of inertia, the virial factor and the mean kinetic and potential energy of microcanonical particle ensembles. The non-equilibrium distribution function is found by convolving the initial distribution function with the Green function that solves Einstein's equation for freely diffusing particles. Such a convolution also yields a natural solution to the Fokker-Planck equations in the energy space. Our mathematical formalism can be generalized to potentials with a time-varying symmetry, where diffusion extends over multiple dimensions of the integral-of-motion space. The new probability theory is in many ways analogous to stochastic calculus, with two significant differences: (i) the equations of motion that govern the trajectories of particles are fully deterministic, and (ii) the diffusion coefficients can be derived self-consistently from microcanonical phase-space averages without relying on ergodicity assumptions. For illustration we follow the cold collapse of N-body models in a time-dependent logarithmic potential. Comparison between the analytical and numerical results shows excellent agreement in regions where the potential evolution does not depart too strongly from the adiabatic regime.

  19. Interaction of non-equilibrium oxygen plasma with sintered graphite

    NASA Astrophysics Data System (ADS)

    Cvelbar, Uroš

    2013-03-01

    Samples made from sintered graphite with grain size of about 10 μm were exposed to highly non-equilibrium oxygen plasma created in a borosilicate glass tube by an electrodeless RF discharge. The density of charged particles was about 7 × 1015 m-3 and the neutral oxygen atom density 6 × 1021 m-3. The sample temperature was determined by a calibrated IR detector while the surface modifications were quantified by XPS and water drop techniques. The sample surface was rapidly saturated with carbonyl groups. Prolonged treatment of samples caused a decrease in concentration of the groups what was explained by thermal destruction. Therefore, the created functional groups were temperature dependent. The heating of samples resulted in extensive chemical interaction between the O atoms and samples what was best monitored by decreasing of the O atom density with increasing sample temperature. The saturation with functional groups could be restored only after cooling down of the samples and repeated short plasma treatment at low temperature.

  20. Equilibrium and non-equilibrium metal-ceramic interfaces

    SciTech Connect

    Gao, Y.; Merkle, K.L.

    1991-12-31

    Metal-ceramic interfaces in thermodynamic equilibrium (Au/ZrO{sub 2}) and non-equilibrium (Au/MgO) have been studied by TEM and HREM. In the Au/ZrO{sub 2} system, ZrO{sub 2} precipitates formed by internal oxidation of a 7%Zr-Au alloy show a cubic ZrO{sub 2} phase. It appears that formation of the cubic ZrO{sub 2} is facilitated by alignment with the Au matrix. Most of the ZrO{sub 2} precipitates have a perfect cube-on-cube orientation relationship with the Au matrix. The large number of interfacial steps observed in a short-time annealing experiment indicate that the precipitates are formed by the ledge growth mechanism. The lowest interfacial energy is indicated by the dominance of closed-packed [111] Au/ZrO{sub 2} interfaces. In the Au/MgO system, composite films with small MgO smoke particles embedded in a Au matrix were prepared by a thin film technique. HREM observations show that most of the Au/MgO interfaces have a strong tendency to maintain a dense lattice structure across the interfaces irrespective of whether the interfaces are incoherent of semi-coherent. This indicates that there may be relatively strong bond between MgO and Au.

  1. Non-equilibrium control of complex solids by nonlinear phononics

    NASA Astrophysics Data System (ADS)

    Mankowsky, Roman; Först, Michael; Cavalleri, Andrea

    2016-06-01

    We review some recent advances in the use of optical fields at terahertz frequencies to drive the lattice of complex materials. We will focus on the control of low energy collective properties of solids, which emerge on average when a high frequency vibration is driven and a new crystal structure induced. We first discuss the fundamentals of these lattice rearrangements, based on how anharmonic mode coupling transforms an oscillatory motion into a quasi-static deformation of the crystal structure. We then discuss experiments, in which selectively changing a bond angle turns an insulator into a metal, accompanied by changes in charge, orbital and magnetic order. We then address the case of light induced non-equilibrium superconductivity, a mysterious phenomenon observed in some cuprates and molecular materials when certain lattice vibrations are driven. Finally, we show that the dynamics of electronic and magnetic phase transitions in complex-oxide heterostructures follow distinctly new physical pathways in case of the resonant excitation of a substrate vibrational mode.

  2. Non-equilibrium plasma prevention of Schistosoma japonicum transmission

    NASA Astrophysics Data System (ADS)

    Wang, Xing-Quan; Wang, Feng-Peng; Chen, Wei; Huang, Jun; Bazaka, Kateryna; Ostrikov, Kostya (Ken)

    2016-10-01

    Schistosoma japonicum is a widespread human and animal parasite that causes intestinal and hepatosplenic schistosomiasis linked to colon, liver and bladder cancers, and anemia. Estimated 230 million people are currently infected with Schistosoma spp, with 779 million people at risk of contracting the parasite. Infection occurs when a host comes into contact with cercariae, a planktonic larval stage of the parasite, and can be prevented by inactivating the larvae, commonly by chemical treatment. We investigated the use of physical non-equilibrium plasma generated at atmospheric pressure using custom-made dielectric barrier discharge reactor to kill S. japonicum cercariae. Survival rate decreased with treatment time and applied power. Plasmas generated in O2 and air gas discharges were more effective in killing S. japonicum cercariae than that generated in He, which is directly related to the mechanism by which cercariae are inactivated. Reactive oxygen species, such as O atoms, abundant in O2 plasma and NO in air plasma play a major role in killing of S. japonicum cercariae via oxidation mechanisms. Similar level of efficacy is also shown for a gliding arc discharge plasma jet generated in ambient air, a system that may be more appropriate for scale-up and integration into existing water treatment processes.

  3. Non Equilibrium Transformations of Molecular Compounds Induced Mechanically

    SciTech Connect

    Descamps, M.; Willart, J. F.; Dudognon, E.

    2006-05-05

    Results clarifying the effects of mechanical milling on molecular solids are shortly reviewed. Special attention has been paid to the temperature of milling with regard to the glass transition temperature of the compounds. It is shown that decreasing the grinding temperature has for incidence to increase the amorphization tendency whereas milling above Tg produces a crystal-to-crystal transformation between polymorphic varieties. These observations contradict the usual proposition that grinding transforms the physical state only by a heating effect which induces a local melting. Equilibrium thermodynamics does not seem to be appropriate for describing the process. The driven alloys concept offers a more rational framework to interpret the effect of the milling temperature. Other results are presented which demonstrate the possibility for grinding to realize low temperature solid state alloying which offers new promising ways to stabilize amorphous molecular solids. In a second part the effect of dehydration of a molecular hydrate is described. It is shown that the rate of the dehydration process is a driving force for this other type of mechanical non equilibrium transformation.

  4. Non-Equilibrium Properties from Equilibrium Free Energy Calculations

    NASA Technical Reports Server (NTRS)

    Pohorille, Andrew; Wilson, Michael A.

    2012-01-01

    Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

  5. Equilibrium and non-equilibrium metal-ceramic interfaces

    SciTech Connect

    Gao, Y.; Merkle, K.L.

    1991-01-01

    Metal-ceramic interfaces in thermodynamic equilibrium (Au/ZrO{sub 2}) and non-equilibrium (Au/MgO) have been studied by TEM and HREM. In the Au/ZrO{sub 2} system, ZrO{sub 2} precipitates formed by internal oxidation of a 7%Zr-Au alloy show a cubic ZrO{sub 2} phase. It appears that formation of the cubic ZrO{sub 2} is facilitated by alignment with the Au matrix. Most of the ZrO{sub 2} precipitates have a perfect cube-on-cube orientation relationship with the Au matrix. The large number of interfacial steps observed in a short-time annealing experiment indicate that the precipitates are formed by the ledge growth mechanism. The lowest interfacial energy is indicated by the dominance of closed-packed (111) Au/ZrO{sub 2} interfaces. In the Au/MgO system, composite films with small MgO smoke particles embedded in a Au matrix were prepared by a thin film technique. HREM observations show that most of the Au/MgO interfaces have a strong tendency to maintain a dense lattice structure across the interfaces irrespective of whether the interfaces are incoherent of semi-coherent. This indicates that there may be relatively strong bond between MgO and Au.

  6. Non-equilibrium plasma prevention of Schistosoma japonicum transmission.

    PubMed

    Wang, Xing-Quan; Wang, Feng-Peng; Chen, Wei; Huang, Jun; Bazaka, Kateryna; Ostrikov, Kostya Ken

    2016-10-14

    Schistosoma japonicum is a widespread human and animal parasite that causes intestinal and hepatosplenic schistosomiasis linked to colon, liver and bladder cancers, and anemia. Estimated 230 million people are currently infected with Schistosoma spp, with 779 million people at risk of contracting the parasite. Infection occurs when a host comes into contact with cercariae, a planktonic larval stage of the parasite, and can be prevented by inactivating the larvae, commonly by chemical treatment. We investigated the use of physical non-equilibrium plasma generated at atmospheric pressure using custom-made dielectric barrier discharge reactor to kill S. japonicum cercariae. Survival rate decreased with treatment time and applied power. Plasmas generated in O2 and air gas discharges were more effective in killing S. japonicum cercariae than that generated in He, which is directly related to the mechanism by which cercariae are inactivated. Reactive oxygen species, such as O atoms, abundant in O2 plasma and NO in air plasma play a major role in killing of S. japonicum cercariae via oxidation mechanisms. Similar level of efficacy is also shown for a gliding arc discharge plasma jet generated in ambient air, a system that may be more appropriate for scale-up and integration into existing water treatment processes.

  7. Non-equilibrium phase transitions of aqueous starch systems.

    PubMed

    Biliaderis, C G

    1991-01-01

    Experimental data on phase transitions of aqueous starch systems, obtained by thermal analysis (TA) methods, are often indicative of irreversible (non-equilibrium) processes involving various metastable states. The thermal responses usually reflect composite effects from contributions of several opposing processes [e.g. annealing, melting, and (re)crystallization] taking place concurrently during TA. It is important, therefore, to recognize the temperature- and time-dependence of the structure of starch materials, if non-isothermal techniques are used for their characterization. Identifying the pertinent morphological features (supermolecular structure) of each particular system, as well as recognizing the role of water as a plasticizer which depresses the Tg of the amorphous domains, is essential to predict heat/moisture-mediated transformations of this biopolymer. The phase transition behaviour of granular starch and amylose-lipid complexes, as revealed by Differential Scanning Calorimetry and Thermomechanical Analysis, and the metastability of these materials are considered herein with respect to the effects of water and low molecular weight solutes.

  8. Plasma x-ray radiation source.

    PubMed

    Popkov, N F; Kargin, V I; Ryaslov, E A; Pikar', A S

    1995-01-01

    This paper gives the results of studies on a plasma x-ray source, which enables one to obtain a 2.5-krad radiation dose per pulse over an area of 100 cm2 in the quantum energy range from 20 to 500 keV. Pulse duration is 100 ns. Spectral radiation distributions from a diode under various operation conditions of a plasma are obtained. A Marx generator served as an initial energy source of 120 kJ with a discharge time of T/4 = 10-6 s. A short electromagnetic pulse (10-7 s) was shaped using plasma erosion opening switches.

  9. Sustainably Sourced, Thermally Resistant, Radiation Hard Biopolymer

    NASA Technical Reports Server (NTRS)

    Pugel, Diane

    2011-01-01

    This material represents a breakthrough in the production, manufacturing, and application of thermal protection system (TPS) materials and radiation shielding, as this represents the first effort to develop a non-metallic, non-ceramic, biomaterial-based, sustainable TPS with the capability to also act as radiation shielding. Until now, the standing philosophy for radiation shielding involved carrying the shielding at liftoff or utilizing onboard water sources. This shielding material could be grown onboard and applied as needed prior to different radiation landscapes (commonly seen during missions involving gravitational assists). The material is a bioplastic material. Bioplastics are any combination of a biopolymer and a plasticizer. In this case, the biopolymer is a starch-based material and a commonly accessible plasticizer. Starch molecules are composed of two major polymers: amylase and amylopectin. The biopolymer phenolic compounds are common to the ablative thermal protection system family of materials. With similar constituents come similar chemical ablation processes, with the potential to have comparable, if not better, ablation characteristics. It can also be used as a flame-resistant barrier for commercial applications in buildings, homes, cars, and heater firewall material. The biopolymer is observed to undergo chemical transformations (oxidative and structural degradation) at radiation doses that are 1,000 times the maximum dose of an unmanned mission (10-25 Mrad), indicating that it would be a viable candidate for robust radiation shielding. As a comparison, the total integrated radiation dose for a three-year manned mission to Mars is 0.1 krad, far below the radiation limit at which starch molecules degrade. For electron radiation, the biopolymer starches show minimal deterioration when exposed to energies greater than 180 keV. This flame-resistant, thermal-insulating material is non-hazardous and may be sustainably sourced. It poses no hazardous

  10. High-temperature miniature blackbody radiation sources.

    PubMed

    Chernin, S M

    1997-03-01

    Various high-temperature blackbody sources for quantitative energy measurements in the IR spectral region are developed. Techniques that ensure a stable operation of the sources at high temperatures are described. The developed blackbody models with maximum temperatures of 2000, 2500, and 3000 K can also operate at other temperatures. Graphite is used as a material for radiators. These blackbodies can be used successfully in radiometric measurements in UV and visible spectral ranges. Blackbodies as high-brightness sources may find wide application in solving the problems of multipass spectroscopy. The blackbody sources developed as rocket engineering has progressed have remained outside the knowledge of foreign scientists.

  11. A non-equilibrium model for soil heating and moisture transport during extreme surface heating

    NASA Astrophysics Data System (ADS)

    Massman, W. J.

    2015-03-01

    With increasing use of prescribed fire by land managers and increasing likelihood of wildfires due to climate change comes the need to improve modeling capability of extreme heating of soils during fires. This issue is addressed here by developing a one-dimensional non-equilibrium model of soil evaporation and transport of heat, soil moisture, and water vapor, for use with surface forcing ranging from daily solar cycles to extreme conditions encountered during fires. The model employs a linearized Crank-Nicolson scheme for the conservation equations of energy and mass and its performance is evaluated against dynamic soil temperature and moisture observations obtained during laboratory experiments on soil samples exposed to surface heat fluxes ranging between 10 000 and 50 000 W m-2. The Hertz-Knudsen equation is the basis for constructing the model's non-equilibrium evaporative source term. The model includes a dynamic residual soil moisture as a function of temperature and soil water potential, which allows the model to capture some of the dynamic aspects of the strongly bound soil moisture that seems to require temperatures well beyond 150 °C to fully evaporate. Furthermore, the model emulates the observed increase in soil moisture ahead of the drying front and the hiatus in the soil temperature rise during the strongly evaporative stage of drying. It also captures the observed rapid evaporation of soil moisture that occurs at relatively low temperatures (50-90 °C). Sensitivity analyses indicate that the model's success results primarily from the use of a temperature and moisture potential dependent condensation coefficient in the evaporative source term. The model's solution for water vapor density (and vapor pressure), which can exceed one standard atmosphere, cannot be experimentally verified, but they are supported by results from (earlier and very different) models developed for somewhat different purposes and for different porous media. Overall, this non-equilibrium

  12. Perturbative Calculation of Quasi-Potential in Non-equilibrium Diffusions: A Mean-Field Example

    NASA Astrophysics Data System (ADS)

    Bouchet, Freddy; Gawȩdzki, Krzysztof; Nardini, Cesare

    2016-06-01

    In stochastic systems with weak noise, the logarithm of the stationary distribution becomes proportional to a large deviation rate function called the quasi-potential. The quasi-potential, and its characterization through a variational problem, lies at the core of the Freidlin-Wentzell large deviations theory (Freidlin and Wentzell, Random perturbations of dynamical systems, 2012). In many interacting particle systems, the particle density is described by fluctuating hydrodynamics governed by Macroscopic Fluctuation Theory (Bertini et al., Source>arXiv:1404.6466Source> , 2014), which formally fits within Freidlin-Wentzell's framework with a weak noise proportional to 1/√{N}, where N is the number of particles. The quasi-potential then appears as a natural generalization of the equilibrium free energy to non-equilibrium particle systems. A key physical and practical issue is to actually compute quasi-potentials from their variational characterization for non-equilibrium systems for which detailed balance does not hold. We discuss how to perform such a computation perturbatively in an external parameter λ , starting from a known quasi-potential for λ =0. In a general setup, explicit iterative formulae for all terms of the power-series expansion of the quasi-potential are given for the first time. The key point is a proof of solvability conditions that assure the existence of the perturbation expansion to all orders. We apply the perturbative approach to diffusive particles interacting through a mean-field potential. For such systems, the variational characterization of the quasi-potential was proven by Dawson and Gartner (Stochastics 20:247-308, 1987; Stochastic differential systems, vol 96, pp 1-10, 1987). Our perturbative analysis provides new explicit results about the quasi-potential and about fluctuations of one-particle observables in a simple example

  13. Laboratory source of synchrotron radiation: TROLL-2

    NASA Astrophysics Data System (ADS)

    Anevsky, S. I.; Vernyi, A. E.; Panasjuk, V. S.; Khromchenko, V. B.

    1987-11-01

    A laboratory synchrotron radiation (SR) source TROLL-2 is described. Its main parameters are as follows: the energy of the accelerated particles = 24 MeV; the orbit radius = 20 mm; the SR pulse half-width = 2 ms, the maximum spectral radiant power (at λ = 350 nm) = 1.2×10 6 W/m.

  14. Global dynamics of non-equilibrium gliding in animals.

    PubMed

    Yeaton, Isaac J; Socha, John J; Ross, Shane D

    2017-03-17

    Gliding flight-moving horizontally downward through the air without power-has evolved in a broad diversity of taxa and serves numerous ecologically relevant functions such as predator escape, expanding foraging locations, and finding mates, and has been suggested as an evolutionary pathway to powered flight. Historically, gliding has been conceptualized using the idealized conditions of equilibrium, in which the net aerodynamic force on the glider balances its weight. While this assumption is appealing for its simplicity, recent studies of glide trajectories have shown that equilibrium gliding is not the norm for most species. Furthermore, equilibrium theory neglects the aerodynamic differences between species, as well as how a glider can modify its glide path using control. To investigate non-equilibrium glide behavior, we developed a reduced-order model of gliding that accounts for self-similarity in the equations of motion, such that the lift and drag characteristics alone determine the glide trajectory. From analysis of velocity polar diagrams of horizontal and vertical velocity from several gliding species, we find that pitch angle, the angle between the horizontal and chord line, is a control parameter that can be exploited to modulate glide angle and glide speed. Varying pitch results in changing locations of equilibrium glide configurations in the velocity polar diagram that govern passive glide dynamics. Such analyses provide a new mechanism of interspecies comparison and tools to understand experimentally-measured kinematics data and theory. In addition, this analysis suggests that the lift and drag characteristics of aerial and aquatic autonomous gliders can be engineered to passively alter glide trajectories with minimal control effort.

  15. Step-wise pulling protocols for non-equilibrium dynamics

    NASA Astrophysics Data System (ADS)

    Ngo, Van Anh

    The fundamental laws of thermodynamics and statistical mechanics, and the deeper understandings of quantum mechanics have been rebuilt in recent years. It is partly because of the increasing power of computing resources nowadays, that allow shedding direct insights into the connections among the thermodynamics laws, statistical nature of our world, and the concepts of quantum mechanics, which have not yet been understood. But mostly, the most important reason, also the ultimate goal, is to understand the mechanisms, statistics and dynamics of biological systems, whose prevailing non-equilibrium processes violate the fundamental laws of thermodynamics, deviate from statistical mechanics, and finally complicate quantum effects. I believe that investigations of the fundamental laws of non-equilibrium dynamics will be a frontier research for at least several more decades. One of the fundamental laws was first discovered in 1997 by Jarzynski, so-called Jarzynski's Equality. Since then, different proofs, alternative descriptions of Jarzynski's Equality, and its further developments and applications have been quickly accumulated. My understandings, developments and applications of an alternative theory on Jarzynski's Equality form the bulk of this dissertation. The core of my theory is based on stepwise pulling protocols, which provide deeper insight into how fluctuations of reaction coordinates contribute to free-energy changes along a reaction pathway. We find that the most optimal pathways, having the largest contribution to free-energy changes, follow the principle of detailed balance. This is a glimpse of why the principle of detailed balance appears so powerful for sampling the most probable statistics of events. In a further development on Jarzynski's Equality, I have been trying to use it in the formalism of diagonal entropy to propose a way to extract useful thermodynamic quantities such temperature, work and free-energy profiles from far

  16. Upwind MacCormack Euler solver with non-equilibrium chemistry

    NASA Technical Reports Server (NTRS)

    Sherer, Scott E.; Scott, James N.

    1993-01-01

    A computer code, designated UMPIRE, is currently under development to solve the Euler equations in two dimensions with non-equilibrium chemistry. UMPIRE employs an explicit MacCormack algorithm with dissipation introduced via Roe's flux-difference split upwind method. The code also has the capability to employ a point-implicit methodology for flows where stiffness is introduced through the chemical source term. A technique consisting of diagonal sweeps across the computational domain from each corner is presented, which is used to reduce storage and execution requirements. Results depicting one dimensional shock tube flow for both calorically perfect gas and thermally perfect, dissociating nitrogen are presented to verify current capabilities of the program. Also, computational results from a chemical reactor vessel with no fluid dynamic effects are presented to check the chemistry capability and to verify the point implicit strategy.

  17. Microscopic Simulation and Macroscopic Modeling for Thermal and Chemical Non-Equilibrium

    NASA Technical Reports Server (NTRS)

    Liu, Yen; Panesi, Marco; Vinokur, Marcel; Clarke, Peter

    2013-01-01

    This paper deals with the accurate microscopic simulation and macroscopic modeling of extreme non-equilibrium phenomena, such as encountered during hypersonic entry into a planetary atmosphere. The state-to-state microscopic equations involving internal excitation, de-excitation, dissociation, and recombination of nitrogen molecules due to collisions with nitrogen atoms are solved time-accurately. Strategies to increase the numerical efficiency are discussed. The problem is then modeled using a few macroscopic variables. The model is based on reconstructions of the state distribution function using the maximum entropy principle. The internal energy space is subdivided into multiple groups in order to better describe the non-equilibrium gases. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients. The modeling is completely physics-based, and its accuracy depends only on the assumed expression of the state distribution function and the number of groups used. The model makes no assumption at the microscopic level, and all possible collisional and radiative processes are allowed. The model is applicable to both atoms and molecules and their ions. Several limiting cases are presented to show that the model recovers the classical twotemperature models if all states are in one group and the model reduces to the microscopic equations if each group contains only one state. Numerical examples and model validations are carried out for both the uniform and linear distributions. Results show that the original over nine thousand microscopic equations can be reduced to 2 macroscopic equations using 1 to 5 groups with excellent agreement. The computer time is decreased from 18 hours to less than 1 second.

  18. Transport coefficients and heat fluxes in non-equilibrium high-temperature flows with electronic excitation

    NASA Astrophysics Data System (ADS)

    Istomin, V. A.; Kustova, E. V.

    2017-02-01

    The influence of electronic excitation on transport processes in non-equilibrium high-temperature ionized mixture flows is studied. Two five-component mixtures, N 2 / N2 + / N / N + / e - and O 2 / O2 + / O / O + / e - , are considered taking into account the electronic degrees of freedom for atomic species as well as the rotational-vibrational-electronic degrees of freedom for molecular species, both neutral and ionized. Using the modified Chapman-Enskog method, the transport coefficients (thermal conductivity, shear viscosity and bulk viscosity, diffusion and thermal diffusion) are calculated in the temperature range 500-50 000 K. Thermal conductivity and bulk viscosity coefficients are strongly affected by electronic states, especially for neutral atomic species. Shear viscosity, diffusion, and thermal diffusion coefficients are not sensible to electronic excitation if the size of excited states is assumed to be constant. The limits of applicability for the Stokes relation are discussed; at high temperatures, this relation is violated not only for molecular species but also for electronically excited atomic gases. Two test cases of strongly non-equilibrium flows behind plane shock waves corresponding to the spacecraft re-entry (Hermes and Fire II) are simulated numerically. Fluid-dynamic variables and heat fluxes are evaluated in gases with electronic excitation. In inviscid flows without chemical-radiative coupling, the flow-field is weakly affected by electronic states; however, in viscous flows, their influence can be more important, in particular, on the convective heat flux. The contribution of different dissipative processes to the heat transfer is evaluated as well as the effect of reaction rate coefficients. The competition of diffusion and heat conduction processes reduces the overall effect of electronic excitation on the convective heating, especially for the Fire II test case. It is shown that reliable models of chemical reaction rates are of great

  19. PREFACE: International Symposium on Non-Equilibrium Soft Matter 2010 International Symposium on Non-Equilibrium Soft Matter 2010

    NASA Astrophysics Data System (ADS)

    Kawakatsu, T.; Matsuyama, A.; Ohta, T.; Tanaka, H.; Tanaka, S.

    2011-07-01

    Soft matter is a rapidly growing interdisciplinary research field covering a range of subject areas including physics, chemistry, biology, mathematics and engineering. Some of the important universal features of these materials are their mesoscopic structures and their dynamics. Due to the existence of such large-scale structures, which nevertheless exhibit interactions of the order of the thermal energy, soft matter can readily be taken out of equilibrium by imposing a weak external field such as an electric field, a mechanical stress or a shear flow. The importance of the coexistence of microscopic molecular dynamics and the mesoscopic/macroscopic structures and flows requires us to develop hierarchical approaches to understand the nonlinear and nonequilibrium phenomena, which is one of the central issues of current soft matter research. This special section presents selected contributions from the 'International Symposium on Non-Equilibrium Soft Matter 2010' held from 17-20 August 2010 in Nara, Japan, which aimed to describe recent advances in soft matter research focusing especially on its nonequilibrium aspects. The topics discussed cover statics and dynamics of a wide variety of materials ranging from traditional soft matter like polymers, gels, emulsions, liquid crystals and colloids to biomaterials such as biopolymers and biomembranes. Among these studies, we highlighted the physics of biomembranes and vesicles, which has attracted great attention during the last decade; we organized a special session for this active field. The work presented in this issue deals with (1) structure formation in biomembranes and vesicles, (2) rheology of polymers and gels, (3) mesophases in block copolymers, (4) mesoscopic structures in liquid crystals and ionic liquids, and (5) nonequilibrium dynamics. This symposium was organized as part of a research project supported by the Grant-in-Aid for the priority area 'Soft Matter Physics' (2006-2010) from the Ministry of Education

  20. Atomistic Simulation of Non-Equilibrium Phenomena in Hypersonic Flows

    NASA Astrophysics Data System (ADS)

    Norman, Paul Erik

    The goal of this work is to model the heterogeneous recombination of atomic oxygen on silica surfaces, which is of interest for accurately predicting the heating on vehicles traveling at hypersonic speeds. This is accomplished by creating a finite rate catalytic model, which describes recombination with a set of elementary gas-surface reactions. Fundamental to a description of surface catalytic reactions are the in situ chemical structures on the surface where recombination can occur. Using molecular dynamics simulations with the Reax GSISiO potential, we find that the chemical sites active in direct gas-phase reactions on silica surfaces consist of a small number of specific structures (or defects). The existence of these defects on real silica surfaces is supported by experimental results and the structure and energetics of these defects have been verified with quantum chemical calculations. The reactions in the finite rate catalytic model are based on the interaction of molecular and atomic oxygen with these defects. Trajectory calculations are used to find the parameters in the forward rate equations, while a combination of detailed balance and transition state theory are used to find the parameters in the reverse rate equations. The rate model predicts that the oxygen recombination coefficient is relatively constant at T (300-1000 K), in agreement with experimental results. At T > 1000 K the rate model predicts a drop off in the oxygen recombination coefficient, in disagreement with experimental results, which predict that the oxygen recombination coefficient increases with temperature. A discussion of the possible reasons for this disagreement, including non-adiabatic collision dynamics, variable surface site concentrations, and additional recombination mechanisms is presented. This thesis also describes atomistic simulations with Classical Trajectory Calculation Direction Simulation Monte Carlo (CTC-DSMC), a particle based method for modeling non-equilibrium

  1. Synchrotron Radiation Sources and Optical Devices

    NASA Astrophysics Data System (ADS)

    Cocco, D.; Zangrando, M.

    This chapter will briefly describe the photon transport system, from the sources to the experimental stations, including an overview of the characteristics of the synchrotron radiation (SR). The target of this chapter is to give, to an occasional user of the SR source, a general overview on the possible different available sources and the different possible optical systems, with particular emphasis to the soft X-ray region, without entering too much into details. If one wish to have a deep knowledge on the subjects treated here, there are four books that can answer almost all the possible questions on SR sources and optical devices, and they are reported in the references [W.B. Peatman, Gratings, Mirrors, and Slits (Gordon and Breach Science Publishers, New York, 1997); D. Attwood, Soft X-rays and Extreme Ultraviolet Radiation (Cambridge University Press, Cambridge, 1999); H. Wiedemann, Synchrotron Radiation (Springer, Heidelberg, 2002); A. Erko, M. Idir, T. Krist, A.G. Michette, Modern Developments in X-ray and Neutron Optics, Springer Series in Optical Science, vol. 137 (Springer, Heidelberg, 2008)].

  2. Photon statistics of various radiation sources

    NASA Astrophysics Data System (ADS)

    Tanabe, Toshiya

    1998-02-01

    Recent successful experimental demonstrations of the self-amplified spontaneous emission (SASE) in the infra-red region of the spectrum and project proposals for the production of XUV/X-ray SASE radiation have revitalized the interest in the statistical properties of FEL radiation. In this paper, after a review of photon statistics is given, those from various types of radiation including non-classical light are compared. Predicted photon statistics (or lack thereof) from a FEL oscillator, an amplifier, coherent spontaneous emission (CSE), SASE and high-gain harmonic generation (HGHG) are summarized. Different schemes of experimental methods to measure photon statistics are examined, and the experiment carried out at the National Synchroton Light Source (NSLS) to measure the photon statistics of wiggler spontaneous emission is described.

  3. Radiation therapy at compact Compton sources.

    PubMed

    Jacquet, Marie; Suortti, Pekka

    2015-09-01

    The principle of the compact Compton source is presented briefly. In collision with an ultrarelativistic electron bunch a laser pulse is back-scattered as hard X-rays. The radiation cone has an opening of a few mrad, and the energy bandwidth is a few percent. The electrons that have an energy of the order of a few tens of MeV either circulate in storage ring, or are injected to a linac at a frequency of 10-100 MHz. At the interaction point the electron bunch collides with the laser pulse that has been amplified in a Fabry-Perot resonator. There are several machines in design or construction phase, and projected fluxes are 10(12) to 10(14) photons/s. The flux available at 80 keV from the ThomX machine is compared with that used in the Stereotactic Synchrotron Radiation Therapy clinical trials. It is concluded that ThomX has the potential of serving as the radiation source in future radiation therapy programs, and that ThomX can be integrated in hospital environment.

  4. A simple computerized timer for radiation sources

    SciTech Connect

    Hansen, D.; Plato, P.; Miklos, J. )

    1984-10-01

    The University of Michigan administers the testing portion of the National Voluntary Laboratory Accreditation Program (NVLAP) for personnel dosimetry processors using six different radiation sources. This paper reports that, in order to eliminate the potential for errors in the recording of dosimeter irradiation times, timing systems were set up for each source using Commodore 64 microcomputers and associated peripherals. Each timing system uses the microcomputer's analog-to-digital converter and internal clock to measure the amount of time that a source control circuit is energized. The accuracy of each microcomputer timing system is comparable to that of the electronic digital timers used to control the sources resulting in irradiation times that are known to within {plus minus}0.2%.

  5. Radiation Sources at Electron Cyclotron Harmonic Frequencies.

    DTIC Science & Technology

    1983-01-28

    KEY WORDS (Continue on reverse side it necesear and Identify by block number) Radiation source, electron cyclotron frequency, gyrotron, travelling ...investigation of gyrotron devices operating in cylindrical geometry. Specific topics include an analysis of oscillations in a gyrotron travelling wave...amplifier, the study of the effects of velocity spread and wall resistivity on gain and bandwidth in a gyrotron travell - ing wave amplifier, an

  6. Intense XUV (Extreme Ultraviolet) Radiation Sources.

    DTIC Science & Technology

    1985-07-31

    191 MICROCOPY RESOLUTION TEST CHART NA tI VI B IU R -AlI T N [ APFID q - II OT FILE COPY U"ICLASSIFIED SECURITY CLASSIFICATION OF THIS PAGE REPORT...more serious problem for multiple exposures is the accumulation of spattered debris on optics and other surfaces. Incoming laser surfaces can be...background pressure to protect their optical system from spattered Hg from their target. °, % • S. . .. . . -. . . .- . o . . . . . ° . Sources of Radiation

  7. SILENE, a new radiation reference source

    SciTech Connect

    Rozain, J.P.; Barbry, F.

    1994-12-31

    Originally designed to study criticality accidents, the SILENE reactor today is also a reference source able to meet the expectation of a great number of researchers in the fields of physics, neutronics, biology or dosimetry. The latest technical developments and its multiple operating possibilities enable this CEA Nuclear Protection and Safety Institute experimental reactor to provide a reproducible range of calibrated neutron and gamma radiation.

  8. Radiation Safety of Sealed Radioactive Sources

    SciTech Connect

    Pryor, Kathryn H.

    2015-01-01

    Sealed radioactive sources are used in a wide variety of occupational settings and under differing regulatory/licensing structures. The definition of a sealed radioactive source varies between US regulatory authorities and standard-setting organizations. Potential problems with sealed sources cover a range of risks and impacts. The loss of control of high activity sealed sources can result in very high or even fatal doses to members of the public who come in contact with them. Sources that are not adequately sealed, and that fail, can cause spread of contamination and potential intake of radioactive material. There is also the possibility that sealed sources may be (or threatened to be) used for terrorist purposes and disruptive opportunities. Until fairly recently, generally-licensed sealed sources and devices received little, if any, regulatory oversight, and were often forgotten, lost or unaccounted for. Nonetheless, generally licensed devices can contain fairly significant quantities of radioactive material and there is some potential for exposure if a device is treated in a way that it was never designed. Industrial radiographers use and handle high activity and/or high-dose rate sealed sources in the field with a high degree of independence and minimal regulatory oversight. Failure to follow operational procedures and properly handle radiography sources can and has resulted in serious injuries and death. Industrial radiographers have experienced a disproportionately large fraction of incidents that result in unintended exposure to radiation. Sources do not have to contain significant quantities of radioactive material to cause problems in the event of their failure. A loss of integrity can cause the spread of contamination and potential exposure to workers and members of the public. The NCRP has previously provided recommendations on select aspects of sealed source programs. Future efforts to provide recommendations for sealed source programs are discussed.

  9. Plasma wake field XUV radiation source

    DOEpatents

    Prono, Daniel S.; Jones, Michael E.

    1997-01-01

    A XUV radiation source uses an interaction of electron beam pulses with a gas to create a plasma radiator. A flowing gas system (10) defines a circulation loop (12) with a device (14), such as a high pressure pump or the like, for circulating the gas. A nozzle or jet (16) produces a sonic atmospheric pressure flow and increases the density of the gas for interacting with an electron beam. An electron beam is formed by a conventional radio frequency (rf) accelerator (26) and electron pulses are conventionally formed by a beam buncher (28). The rf energy is thus converted to electron beam energy, the beam energy is used to create and then thermalize an atmospheric density flowing gas to a fully ionized plasma by interaction of beam pulses with the plasma wake field, and the energetic plasma then loses energy by line radiation at XUV wavelengths Collection and focusing optics (18) are used to collect XUV radiation emitted as line radiation when the high energy density plasma loses energy that was transferred from the electron beam pulses to the plasma.

  10. Non-equilibrium phase behavior and friction of confined molecular films under shear: A non-equilibrium molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Maćkowiak, Sz.; Heyes, D. M.; Dini, D.; Brańka, A. C.

    2016-10-01

    The phase behavior of a confined liquid at high pressure and shear rate, such as is found in elastohydrodynamic lubrication, can influence the traction characteristics in machine operation. Generic aspects of this behavior are investigated here using Non-equilibrium Molecular Dynamics (NEMD) simulations of confined Lennard-Jones (LJ) films under load with a recently proposed wall-driven shearing method without wall atom tethering [C. Gattinoni et al., Phys. Rev. E 90, 043302 (2014)]. The focus is on thick films in which the nonequilibrium phases formed in the confined region impact on the traction properties. The nonequilibrium phase and tribological diagrams are mapped out in detail as a function of load, wall sliding speed, and atomic scale surface roughness, which is shown can have a significant effect. The transition between these phases is typically not sharp as the external conditions are varied. The magnitude of the friction coefficient depends strongly on the nonequilibrium phase adopted by the confined region of molecules, and in general does not follow the classical friction relations between macroscopic bodies, e.g., the frictional force can decrease with increasing load in the Plug-Slip (PS) region of the phase diagram owing to structural changes induced in the confined film. The friction coefficient can be extremely low (˜0.01) in the PS region as a result of incommensurate alignment between a (100) face-centered cubic wall plane and reconstructed (111) layers of the confined region near the wall. It is possible to exploit hysteresis to retain low friction PS states well into the central localization high wall speed region of the phase diagram. Stick-slip behavior due to periodic in-plane melting of layers in the confined region and subsequent annealing is observed at low wall speeds and moderate external loads. At intermediate wall speeds and pressure values (at least) the friction coefficient decreases with increasing well depth of the LJ potential

  11. Advanced Integrated TPS and Non Equilibrium Chemistry Instrumentation

    DTIC Science & Technology

    2007-06-01

    occur in interaction with numerical simulation. At IRS, the flow field solver URANUS and the plasma radiation database PARADE are used to rebuild...the URANUS code [27] in combination with a spectral simulation of the emission with the plasma radiation database PARADE [28]. Two grid lines were...line of sight yielding the simulated spectrometer response. Simulations with the URANUS code were performed for altitudes of 70 km/s where strong

  12. A general non-equilibrium framework for the parameterization of positive and negative feedbacks in atmospheric systems

    NASA Astrophysics Data System (ADS)

    Garrett, T. J.

    2012-12-01

    For any identifiable system, regardless of its complexity or scale, evolution can be treated as a spontaneous thermodynamic response to a local convergence of down-gradient material flows. In climate studies, examples of identifiable systems might include cloud cover or the global incidence of temperatures warmer than a certain threshold. Here it is shown how the time-dependent evolution of such systems is constrained by positive and negative feedbacks that fall into a few mathematically distinct modes. In general, evolution depends on the time integral of past flows and the current availability of material and energetic resources. More specifically, negative feedbacks arise from the depletion or predation of the material and potential energy reservoirs that supply the system. Positive feedbacks are due to either new reservoir "discovery" or system expansion into existing reservoirs. When positive feedbacks dominate, the time dependent response of system growth falls into a few clearly identifiable behaviors that include a law of diminishing returns, logistic behavior, and, if reservoirs are expanding very rapidly, unstable super-exponential or explosive growth. For open systems (e.g. radiative flows in our atmosphere) that have a resolved sink as well as a source, oscillatory behavior emerges and can be characterized in terms of a slightly modified form of the predator-prey equations commonly employed in ecology. The perturbation formulation of these equations is equivalent to a damped simple harmonic oscillator. Specific examples of non-equilibrium positive and negative feedback response can be described for the sudden development of rain and the oscillatory evolution of open-celled stratocumulus cloud decks.

  13. Non-equilibrium chemistry and cooling in the diffuse interstellar medium - II. Shielded gas

    NASA Astrophysics Data System (ADS)

    Richings, A. J.; Schaye, J.; Oppenheimer, B. D.

    2014-08-01

    We extend the non-equilibrium model for the chemical and thermal evolution of diffuse interstellar gas presented in Richings et al. to account for shielding from the UV radiation field. We attenuate the photochemical rates by dust and by gas, including absorption by H I, H2, He I, He II and CO where appropriate. We then use this model to investigate the dominant cooling and heating processes in interstellar gas as it becomes shielded from the UV radiation. We consider a one-dimensional plane-parallel slab of gas irradiated by the interstellar radiation field, either at constant density and temperature or in thermal and pressure equilibrium. The dominant thermal processes tend to form three distinct regions in the clouds. At low column densities, cooling is dominated by ionized metals such as Si II, Fe II, Fe III and C II, which are balanced by photoheating, primarily from H I. Once the hydrogen-ionizing radiation becomes attenuated by neutral hydrogen, photoelectric dust heating dominates, while C II becomes dominant for cooling. Finally, dust shielding triggers the formation of CO and suppresses photoelectric heating. The dominant coolants in this fully shielded region are H2 and CO. The column density of the H I-H2 transition predicted by our model is lower at higher density (or at higher pressure for gas clouds in pressure equilibrium) and at higher metallicity, in agreement with previous photodissociation region models. We also compare the H I-H2 transition in our model to two prescriptions for molecular hydrogen formation that have been implemented in hydrodynamic simulations.

  14. Non-equilibrium steady states: fluctuations and large deviations of the density and of the current

    NASA Astrophysics Data System (ADS)

    Derrida, Bernard

    2007-07-01

    These lecture notes give a short review of methods such as the matrix ansatz, the additivity principle or the macroscopic fluctuation theory, developed recently in the theory of non-equilibrium phenomena. They show how these methods allow us to calculate the fluctuations and large deviations of the density and the current in non-equilibrium steady states of systems like exclusion processes. The properties of these fluctuations and large deviation functions in non-equilibrium steady states (for example, non-Gaussian fluctuations of density or non-convexity of the large deviation function which generalizes the notion of free energy) are compared with those of systems at equilibrium.

  15. Experimental measurements of a non-equilibrium thermal boundary layer flow

    NASA Astrophysics Data System (ADS)

    Biles, Drummond; Ebadi, Alireza; Whie, Chris

    2016-11-01

    Data from a newly constructed non-equilibrium and thermal boundary layer wind tunnel is presented. The bottom wall of the tunnel is a sectioned-wall design composed of twelve aluminum 6061 plates with resistive heaters adhered to their underside. Each section is heated and controlled using independent feedback loop controllers. The freestream temperature is controlled by an upstream array of resistive heaters and a feedback controller. Experimental data with strong perturbations that produce non-equilibrium boundary layer flow behaviors is presented. Data for ZPG conditions are provided for validation purposes, and the effects of non-equilibrium behaviors on the transport of momentum and heat are discussed.

  16. 21 CFR 886.5100 - Ophthalmic beta radiation source.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Ophthalmic beta radiation source. 886.5100 Section... (CONTINUED) MEDICAL DEVICES OPHTHALMIC DEVICES Therapeutic Devices § 886.5100 Ophthalmic beta radiation source. (a) Identification. An ophthalmic beta radiation source is a device intended to apply...

  17. 21 CFR 886.5100 - Ophthalmic beta radiation source.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Ophthalmic beta radiation source. 886.5100 Section... (CONTINUED) MEDICAL DEVICES OPHTHALMIC DEVICES Therapeutic Devices § 886.5100 Ophthalmic beta radiation source. (a) Identification. An ophthalmic beta radiation source is a device intended to apply...

  18. 21 CFR 886.5100 - Ophthalmic beta radiation source.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Ophthalmic beta radiation source. 886.5100 Section... (CONTINUED) MEDICAL DEVICES OPHTHALMIC DEVICES Therapeutic Devices § 886.5100 Ophthalmic beta radiation source. (a) Identification. An ophthalmic beta radiation source is a device intended to apply...

  19. 21 CFR 886.5100 - Ophthalmic beta radiation source.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Ophthalmic beta radiation source. 886.5100 Section... (CONTINUED) MEDICAL DEVICES OPHTHALMIC DEVICES Therapeutic Devices § 886.5100 Ophthalmic beta radiation source. (a) Identification. An ophthalmic beta radiation source is a device intended to apply...

  20. 21 CFR 886.5100 - Ophthalmic beta radiation source.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Ophthalmic beta radiation source. 886.5100 Section... (CONTINUED) MEDICAL DEVICES OPHTHALMIC DEVICES Therapeutic Devices § 886.5100 Ophthalmic beta radiation source. (a) Identification. An ophthalmic beta radiation source is a device intended to apply...

  1. Network Algorithms for Detection of Radiation Sources

    SciTech Connect

    Rao, Nageswara S; Brooks, Richard R; Wu, Qishi

    2014-01-01

    In support of national defense, Domestic Nuclear Detection Office s (DNDO) Intelligent Radiation Sensor Systems (IRSS) program supported the development of networks of radiation counters for detecting, localizing and identifying low-level, hazardous radiation sources. Industry teams developed the first generation of such networks with tens of counters, and demonstrated several of their capabilities in indoor and outdoor characterization tests. Subsequently, these test measurements have been used in algorithm replays using various sub-networks of counters. Test measurements combined with algorithm outputs are used to extract Key Measurements and Benchmark (KMB) datasets. We present two selective analyses of these datasets: (a) a notional border monitoring scenario that highlights the benefits of a network of counters compared to individual detectors, and (b) new insights into the Sequential Probability Ratio Test (SPRT) detection method, which lead to its adaptations for improved detection. Using KMB datasets from an outdoor test, we construct a notional border monitoring scenario, wherein twelve 2 *2 NaI detectors are deployed on the periphery of 21*21meter square region. A Cs-137 (175 uCi) source is moved across this region, starting several meters from outside and finally moving away. The measurements from individual counters and the network were processed using replays of a particle filter algorithm developed under IRSS program. The algorithm outputs from KMB datasets clearly illustrate the benefits of combining measurements from all networked counters: the source was detected before it entered the region, during its trajectory inside, and until it moved several meters away. When individual counters are used for detection, the source was detected for much shorter durations, and sometimes was missed in the interior region. The application of SPRT for detecting radiation sources requires choosing the detection threshold, which in turn requires a source strength

  2. Dynamic relaxation of a levitated nanoparticle from a non-equilibrium steady state.

    PubMed

    Gieseler, Jan; Quidant, Romain; Dellago, Christoph; Novotny, Lukas

    2014-05-01

    Fluctuation theorems are a generalization of thermodynamics on small scales and provide the tools to characterize the fluctuations of thermodynamic quantities in non-equilibrium nanoscale systems. They are particularly important for understanding irreversibility and the second law in fundamental chemical and biological processes that are actively driven, thus operating far from thermal equilibrium. Here, we apply the framework of fluctuation theorems to investigate the important case of a system relaxing from a non-equilibrium state towards equilibrium. Using a vacuum-trapped nanoparticle, we demonstrate experimentally the validity of a fluctuation theorem for the relative entropy change occurring during relaxation from a non-equilibrium steady state. The platform established here allows non-equilibrium fluctuation theorems to be studied experimentally for arbitrary steady states and can be extended to investigate quantum fluctuation theorems as well as systems that do not obey detailed balance.

  3. Effects of ROS and RNS in non-equilibrium plasma enhanced oxidizing and nitriding

    NASA Astrophysics Data System (ADS)

    Datsyuk, Vitaly; Izmailov, Igor; Naumov, Vadym; Khomich, Vladimir; Tsiolko, Vyacheslav

    2016-09-01

    Plasma enhanced oxidizing and nitriding processes are of great interest for physics and applications. However, despite all advances in plasma technology, mechanisms of non-equilibrium plasma chemistry are not quite clear, particularly concerning reactive oxygen and nitrogen species (ROS/RNS) in metastable states. We tried to study this matter more detail. Experiments were done in a low temperature magnetron with a non-self-sustained glow discharge in oxygen/nitrogen/argon mixtures, employing electrical and optical diagnostics. Measurements showed that plasma processing is accompanied by the formation of electronically excited particles ROS/RNS. Computer modeling by using 0D-kinetic and 1D-fluid models including ionization, excitation, dissociation-recombination, vibrational relaxation, collisional quenching and radiation revealed the most probable mechanisms of plasma-chemical transformations. Effects of metastables of singlet oxygen O2*(a,b)and nitrogen N2*(A)as well as small but important radicals O*(1 D), N*(2 D) were also examined. Our study confirms the role of ROS/RNS in plasma kinetics and indicates the way toward more efficient oxygen and nitrogen plasma processing.

  4. State-to-state modeling of non equilibrium low-temperature atomic plasmas

    NASA Astrophysics Data System (ADS)

    Bultel, Arnaud; Morel, Vincent; Annaloro, Julien; Druguet, Marie-Claude

    2017-03-01

    The most relevant approach leading to a thorough understanding of the behavior of non equilibrium atomic plasmas is to elaborate state-to-state models in which the mass conservation equation is applied directly to atoms or ions on their excited states. The present communication reports the elaboration of such models and the results obtained. Two situations close to each other are considered. First, the plasmas produced behind shock fronts obtained in ground test facilities (shock tubes) or during planetary atmospheric entries of spacecrafts are discussed. We focused our attention on the nitrogen case for which a complete implementation of the CoRaM-N2 collisional-radiative model has been performed in a steady one-dimensional computation code based on the Rankine-Hugoniot assumptions. Second, the plasmas produced by the interaction between an ultra short laser pulse and a tungsten sample are discussed in the framework of the elaboration of the Laser-Induced Breakdown Spectroscopy (LIBS) technique. In the present case, tungsten has been chosen in the purpose of validating an in situ experimental method able to provide the elemental composition of the divertor wall of a tokamak like WEST or ITER undergoing high energetic deuterium and tritium nuclei fluxes.

  5. Synthesis of Silane and Silicon in a Non-equilibrium Plasma Jet

    NASA Technical Reports Server (NTRS)

    Calcote, H. F.

    1978-01-01

    The original objective of this program was to determine the feasibility of high volume, low-cost production of high purity silane or solar cell grade silicon using a non equilibrium plasma jet. The emphasis was changed near the end of the program to determine the feasibility of preparing photovoltaic amorphous silicon films directly using this method. The non equilibrium plasma jet should be further evaluated as a technique for producing high efficiency photovoltaic amorphous silicon films.

  6. Effects of Source Correlations on the Spectrum of Radiated Fields

    DTIC Science & Technology

    1990-09-01

    paraxial approximation, with a known result for far-zone radiant intensity of Gaussian Schell - model sources3. Spectral changes on propagation of...33 2.2 The radiation efficiency of planar Gaussian Schell - model sources ............ 34...increase in the source correlation length. Page 40. Figure 2.5: The radiation efficiency of Gaussian Schell - model sources as a function of the rms

  7. Samarium-145 and its use as a radiation source

    DOEpatents

    Fairchild, Ralph G.; Laster, Brenda H.; Packer, Samuel

    1989-01-01

    The present invention covers a new radiation source, samarium-145, with radiation energies slightly above those of I-125 and a half-life of 340 days. The samarium-145 source is produced by neutron irradiation of SM-144. This new source is useful as the implanted radiation source in photon activation therapy of malignant tumors to activate the stable I-127 contained in the IdUrd accumulated in the tumor, causing radiation sensitization and Auger cascades that irreperably damage the tumor cells. This new source is also useful as a brachytherapy source.

  8. Samarium-145 and its use as a radiation source

    DOEpatents

    Fairchild, Ralph G.; Laster, Brenda H.; Packer, Samuel

    1989-09-05

    The present invention covers a new radiation source, samarium-145, with radiation energies slightly above those of I-125 and a half-life of 340 days. The samarium-145 source is produced by neutron irradiation of SM-144. This new source is useful as the implanted radiation source in photon activation therapy of malignant tumors to activate the stable I-127 contained in the IdUrd accumulated in the tumor, causing radiation sensitization and Auger cascades that irreperably damage the tumor cells. This new source is also useful as a brachytherapy source.

  9. Multiple Detector Optimization for Hidden Radiation Source Detection

    DTIC Science & Technology

    2015-03-26

    copyright protection in the United States. AFIT-ENP-MS-15-M-082 OPTIMIZATION OF DETECTOR PLACEMENT FOR HIDDEN RADIATION SOURCE DETECTION...AFIT-ENP-MS-15-M-082 OPTIMIZATION OF DETECTOR PLACEMENT FOR HIDDEN RADIATION SOURCE DETECTION Michael E. Morrison, BS Major, USA Committee...process of hidden source detection significantly. The model focused on detection of the full energy peak of a radiation source. Methods to optimize

  10. 75 FR 19302 - Radiation Sources on Army Land

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-14

    ... organization, would require a specific Nuclear Regulatory Commission (NRC) license or Army Radiation... Department of the Army 32 CFR Part 655 RIN 0702-AA58 Radiation Sources on Army Land AGENCY: Department of the... revise its regulations concerning radiation sources on Army land. The Army requires Non-Army...

  11. 76 FR 6692 - Radiation Sources on Army Land

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-02-08

    ... a specific Nuclear Regulatory Commission (NRC) license or Army Radiation Authorization (ARA). The... Department of the Army 32 CFR Part 655 RIN 0702-AA58 Radiation Sources on Army Land AGENCY: Department of the... regulation concerning radiation sources on Army land. The Army requires non-Army agencies (including...

  12. Non-equilibrium Phonons in CaWO4: Issues for Phonon Mediated Particle Detectors

    NASA Astrophysics Data System (ADS)

    Msall, Madeleine; Head, Timothy; Jumper, Daniel

    2009-03-01

    The CRESST experiment looks for evidence of dark matter particles colliding with nuclei in CaWO4, using cryogenic bolometers sensitive to energy deposition ˜ 10 keV with a few percent accuracy. Calibration of the energy deposited in the phonon system depends upon the details of the evolution of the non-equilibrium energy in the CaWO4 absorber. Our phonon images sensitively measure variations in angular phonon flux, providing key information about the elastic constants and scattering rates that determine the energy evolution. Phonon pulses, created by focused photoexcitation of a 150 nm Cu film, are detected after propagation through 3 mm of CaWO4. The 20 ns Ar-ion laser pulse creates a localized (10-3 mm^2) source of 10-20 K blackbody phonons. The sample is at 2 K. Our images show that the elastic constants derived from ultrasonic velocities along high symmetry axes do not accurately predict the total phonon flux along non-symmetry directions. We present new data on the dependence of phonon flux on excitation level and discuss the influence of isotope and anharmonic decay on the shape of phonon pulses in these ultrapure samples. Thanks to J.P. Wolfe and the Frederick Seitz Materials Research Laboratory, Urbana, IL, for partial support of this work.

  13. Seeding Coherent Radiation Sources with Sawtooth Modulation

    SciTech Connect

    Ratner, Daniel; Chao, Alex; /SLAC

    2012-03-28

    Seed radiation sources have the ability to increase longitudinal coherence, decrease saturation lengths, and improve performance of tapering, polarization control and other FEL features. Typically, seeding schemes start with a simple sinusoidal modulation, which is manipulated to provide bunching at a high harmonic of the original wavelength. In this paper, we consider seeding from sawtooth modulations. The sawtooth creates a clean phase space structure, providing a maximal bunching factor without the need for an FEL interaction. While a pure sawtooth modulation is a theoretical construct, it is possible to approach the waveform by combining two or more of the composite wavelengths. We give examples of sawtooth seeding for HGHG, EEHG and other schemes, and note that the sawtooth modulation may aid in suppression of the microbunching instability.

  14. Unsteady non-equilibrium model of laser induced detonation wave

    NASA Astrophysics Data System (ADS)

    Oshima, Takeharu; Fujiwara, Toshitaka

    1992-12-01

    Now that laser propulsion is hoped to become a next-generation space propulsion system, it is important to analyze the mechanisms of LSD (Laser-Supported Detonation) wave caused by laser absorption. The performance of laser propulsion is determined mainly by laser absorption efficiency. To absorb laser energy effectively, it is necessary to generate sufficient free electrons in the laser absorbing zone. Thus, the LSD wave must be monitored. At first, the incident laser energy vaporizes the solid propellant and produces free electrons. These free electrons start laser absorption and as a result produce high temperature and pressure. Then an ignition occurs and this grows into a detonation wave. Four types of physico-chemical processes take place in the LSD wave. First, laser energy is first absorbed by free electrons through inverse bremsstrahlung. Next this energy is distributed to heavy particles (atoms and ions) through elastic and inelastic collision processes, and is lost partly by bremsstrahlung as radiation energy. Based on such backgrounds, this LSD wave is simulated by using a plane one-dimensional numerical analysis to clarify the mechanism on the ignition phenomenon in a laser-sustained plasma. In this study, a TVD (Total Variation Diminishing) code which takes account of real gas effects is utilized.

  15. Radiative feedback and cosmic molecular gas: the role of different radiative sources

    NASA Astrophysics Data System (ADS)

    Maio, Umberto; Petkova, Margarita; De Lucia, Gabriella; Borgani, Stefano

    2016-08-01

    We present results from multifrequency radiative hydrodynamical chemistry simulations addressing primordial star formation and related stellar feedback from various populations of stars, stellar spectral energy distributions (SEDs) and initial mass functions. Spectra for massive stars, intermediate-mass stars and regular solar-like stars are adopted over a grid of 150 frequency bins and consistently coupled with hydrodynamics, heavy-element pollution and non-equilibrium species calculations. Powerful massive Population III stars are found to be able to largely ionize H and, subsequently, He and He+, causing an inversion of the equation of state and a boost of the Jeans masses in the early intergalactic medium. Radiative effects on star formation rates are between a factor of a few and 1 dex, depending on the SED. Radiative processes are responsible for gas heating and photoevaporation, although emission from soft SEDs has minor impacts. These findings have implications for cosmic gas preheating, primordial direct-collapse black holes, the build-up of `cosmic fossils' such as low-mass dwarf galaxies, the role of active galactic nuclei during reionization, the early formation of extended discs and angular-momentum catastrophe.

  16. Radiation safety attached to radioactive sources management - additional aspects

    SciTech Connect

    Kositsyn, V.F.

    1993-12-31

    Radiation sources are used in many scientific areas. Safety management requirements are determined for them with guarantee of the international and national dose limits unexceeding. As a rule, such dose limits are being developed concerning the type, energy, and flux of main radiation. Lack of knowledge of these attendant radiations can put personnel in danger. The study of the attendant neutron and gamma-radiations for plutonium 128 alpha sources was made.

  17. Measurements of Vibrational Non-equilibrium in Supersonic Jet Mixing and Combustion

    NASA Astrophysics Data System (ADS)

    Reising, Heath; Haller, Timothy; Clemens, Noel; Varghese, Philip

    2014-11-01

    A new experimental facility has been constructed to study the effects of thermal non-equilibrium on supersonic mixing and combustion. The facility consists of a Mach 1.5 turbulent jet issuing into an electrically heated coflow. The degree of non-equilibrium in the jet shear layer is quantified using high spectral resolution time-averaged spontaneous Raman scattering. Since the Raman spectra are time-averaged, they are susceptible to non-linear weighting effects induced by temperature fluctuations. The effect of local turbulent temperature fluctuations on the Raman fitting procedure is quantified by using spectral simulations that use the actual temperature fluctuations present in the flow measured by instantaneous Rayleigh scattering thermometry. It is shown that the temperature fluctuations are not large enough to induce significant errors in the vibrational temperature fitting results. Vibrational non-equilibrium is shown to occur in the jet shear layer, and its magnitude and trend are shown to be similar to recent large-eddy-simulation results. Since CO2 is known to cause faster vibrational relaxation of N2, a series of experiments were conducted to verify that the non-equilibrium effects could be controlled by CO2 addition. This work is being extended to reacting flows, to assess the impact of non-equilibrium on supersonic shear-layer combustion. This work was supported by the Air Force Office of Scientific Research.

  18. Non-equilibrium STLS approach to transport properties of single impurity Anderson model

    NASA Astrophysics Data System (ADS)

    Rezai, Raheleh; Ebrahimi, Farshad

    2014-04-01

    In this work, using the non-equilibrium Keldysh formalism, we study the effects of the electron-electron interaction and the electron-spin correlation on the non-equilibrium Kondo effect and the transport properties of the symmetric single impurity Anderson model (SIAM) at zero temperature by generalizing the self-consistent method of Singwi, Tosi, Land, and Sjolander (STLS) for a single-band tight-binding model with Hubbard type interaction to out of equilibrium steady-states. We at first determine in a self-consistent manner the non-equilibrium spin correlation function, the effective Hubbard interaction, and the double-occupancy at the impurity site. Then, using the non-equilibrium STLS spin polarization function in the non-equilibrium formalism of the iterative perturbation theory (IPT) of Yosida and Yamada, and Horvatic and Zlatic, we compute the spectral density, the current-voltage characteristics and the differential conductance as functions of the applied bias and the strength of on-site Hubbard interaction. We compare our spectral densities at zero bias with the results of numerical renormalization group (NRG) and depict the effects of the electron-electron interaction and electron-spin correlation at the impurity site on the aforementioned properties by comparing our numerical result with the order U2 IPT. Finally, we show that the obtained numerical results on the differential conductance have a quadratic universal scaling behavior and the resulting Kondo temperature shows an exponential behavior.

  19. Dynamic non-equilibrium wall-modeling for large eddy simulation at high Reynolds numbers

    NASA Astrophysics Data System (ADS)

    Kawai, Soshi; Larsson, Johan

    2013-01-01

    A dynamic non-equilibrium wall-model for large-eddy simulation at arbitrarily high Reynolds numbers is proposed and validated on equilibrium boundary layers and a non-equilibrium shock/boundary-layer interaction problem. The proposed method builds on the prior non-equilibrium wall-models of Balaras et al. [AIAA J. 34, 1111-1119 (1996)], 10.2514/3.13200 and Wang and Moin [Phys. Fluids 14, 2043-2051 (2002)], 10.1063/1.1476668: the failure of these wall-models to accurately predict the skin friction in equilibrium boundary layers is shown and analyzed, and an improved wall-model that solves this issue is proposed. The improvement stems directly from reasoning about how the turbulence length scale changes with wall distance in the inertial sublayer, the grid resolution, and the resolution-characteristics of numerical methods. The proposed model yields accurate resolved turbulence, both in terms of structure and statistics for both the equilibrium and non-equilibrium flows without the use of ad hoc corrections. Crucially, the model accurately predicts the skin friction, something that existing non-equilibrium wall-models fail to do robustly.

  20. Equilibrium and non-equilibrium emission of complex fragments

    SciTech Connect

    Bowman, D.R.

    1989-08-01

    Complex fragment emission (Z{gt}2) has been studied in the reactions of 50, 80, and 100 MeV/u {sup 139}La + {sup 12}C, and 80 MeV/u {sup 139}La + {sup 27}Al, {sup nat}Cu, and {sup 197}Au. Charge, angle, and energy distributions were measured inclusively and in coincidence with other complex fragments, and were used to extract the source rapidities, velocity distributions, and cross sections. The experimental emission velocity distributions, charge loss distributions, and cross sections have been compared with calculations based on statistical compound nucleus decay. The binary signature of the coincidence events and the sharpness of the velocity distributions illustrate the primarily 2-body nature of the {sup 139}La + {sup 12}C reaction mechanism between 50 and 100 MeV/u. The emission velocities, angular distributions, and absolute cross sections of fragments of 20{le}Z{le}35 at 50 MeV/u, 19{le}Z{le}28 at 80 MeV/u, and 17{le}Z{le}21 at 100 MeV/u indicate that these fragments arise solely from the binary decay of compound nuclei formed in incomplete fusion reactions in which the {sup 139}La projectile picks up about one-half of the {sup 12}C target. In the 80 MeV/u {sup 139}La + {sup 27}Al, {sup nat}Cu, and {sup 197}Au reactions, the disappearance of the binary signature in the total charge and velocity distributions suggests and increase in the complex fragment and light charged particle multiplicity with increasing target mass. As in the 80 and 100 MeV/u {sup 139}La + {sup 12}C reactions, the lighter complex fragments exhibit anisotropic angular distributions and cross sections that are too large to be explained exclusively by statistical emission. 143 refs., 67 figs.

  1. Non-equilibrium Thermodynamic Dissolution Theory for Multi-Component Solid/Liquid Surfaces Involving Surface Adsorption and Radiolysis Kinetics

    SciTech Connect

    Stout, R B

    2001-04-01

    A theoretical expression is developed for the dissolution rate response for multi-component radioactive materials that have surface adsorption kinetics and radiolysis kinetics when wetted by a multi-component aqueous solution. An application for this type of dissolution response is the performance evaluation of multi-component spent nuclear fuels (SNFs) for long term interim storage and for geological disposition. Typically, SNF compositions depend on initial composition, uranium oxide and metal alloys being most common, and on reactor burnup which results in a wide range of fission product and actinide concentrations that decay by alpha, beta, and gamma radiation. These compositional/burnup ranges of SNFs, whether placed in interim storage or emplaced in a geologic repository, will potentially be wetted by multi-component aqueous solutions, and these solutions may be further altered by radiolytic aqueous species due to three radiation fields. The solid states of the SNFs are not thermodynamically stable when wetted and will dissolve, with or without radiolysis. The following development of a dissolution theory is based on a non-equilibrium thermodynamic analysis of energy reactions and energy transport across a solid-liquid phase change discontinuity that propagates at a quasi-steady, dissolution velocity. The integral form of the energy balance equation is used for this spatial surface discontinuity analysis. The integral formulation contains internal energy functional of classical thermodynamics for both the SNFs' solid state and surface adsorption species, and the adjacent liquid state, which includes radiolytic chemical species. The steady-state concentrations of radiolytic chemical species are expressed by an approximate analysis of the decay radiation transport equation. For purposes of illustration a modified Temkin adsorption isotherm was assumed for the surface adsorption kinetics on an arbitrary, finite area of the solid-liquid dissolution interface. For

  2. Intermittent Astrophysical Radiation Sources and Terrestrial Life

    NASA Astrophysics Data System (ADS)

    Melott, Adrian

    2013-04-01

    Terrestrial life is exposed to a variety of radiation sources. Astrophysical observations suggest that strong excursions in cosmic ray flux and spectral hardness are expected. Gamma-ray bursts and supernovae are expected to irradiate the atmosphere with keV to GeV photons at irregular intervals. Supernovae will produce large cosmic ray excursions, with time development varying with distance from the event. Large fluxes of keV to MeV protons from the Sun pose a strong threat to electromagnetic technology. The terrestrial record shows cosmogenic isotope excursions which are consistent with major solar proton events, and there are observations of G-stars suggesting that the rate of such events may be much higher than previously assumed. In addition there are unknown and unexplained astronomical transients which may indicate new classes of events. The Sun, supernovae, and gamma-ray bursts are all capable of producing lethal fluences, and some are expected on intervals of 10^8 years or so. The history of life on Earth is filled with mass extinctions at a variety of levels of intensity. Most are not understood. Astrophysical radiation may play a role, particularly from large increases in muon irradiation on the ground, and changes in atmospheric chemistry which deplete ozone, admitting increased solar UVB. UVB is strongly absorbed by DNA and proteins, and breaks the chemical bonds---it is a known carcinogen. High muon fluxes will also be damaging to such molecules, but experiments are needed to pin down the rate. Solar proton events which are not directly dangerous for the biota may nevertheless pose a major threat to modern electromagnetic technology through direct impact on satellites and magnetic induction of large currents in power grids, disabling transformers. We will look at the kind of events that are expected on timescales from human to geological, and their likely consequences.

  3. Micromachined TWTs for THz Radiation Sources

    NASA Technical Reports Server (NTRS)

    Booske, John H.; vanderWeide, Daniel W.; Kory, Carol L.; Limbach, S.; Downey, Alan (Technical Monitor)

    2001-01-01

    The Terahertz (THz) region of the electromagnetic spectrum (about 300 - 3000 GHz in frequency or about 0.1 - 1 mm free space wavelength) has enormous potential for high-data-rate communications, spectroscopy, astronomy, space research, medicine, biology, surveillance, remote sensing, industrial process control, etc. It has been characterized as the most scientifically rich, yet under-utilized, region of the electromagnetic spectrum. The most critical roadblock to full exploitation of the THz band is lack of coherent radiation sources that are powerful (0.001 - 1.0 W continuous wave), efficient (> 1%), frequency agile (instantaneously tunable over 1% bandwidths or more), reliable, and comparatively inexpensive. To develop vacuum electron device (VED) radiation sources satisfying these requirements, fabrication and packaging approaches must be heavily considered to minimize costs, in addition to the basic interaction physics and circuit design. To minimize size of the prime power supply, beam voltage must be minimized, preferably 10 kV. Solid state sources satisfy the low voltage requirement, but are many orders of magnitude below power, efficiency, and bandwidth requirements. On the other hand, typical fast-wave VED sources in this regime (e.g., gyrotrons, FELs) tend to be large, expensive, high voltage and very high power devices unsuitable for most of the applications cited above. VEDs based on grating or inter-digital (ID) circuits have been researched and developed. However, achieving forward-wave amplifier operation with instantaneous fractional bandwidths > 1% is problematic for these devices with low-energy (< 15 kV) electron beams. Moreover, the interaction impedance is quite low unless the beam-circuit spacing is kept particularly narrow, often leading to significant beam interception. One solution to satisfy the THz source requirements mentioned above is to develop micromachined VEDs, or "micro-VEDs". Among other benefits, micro-machining technologies

  4. [Use of ionizing radiation sources in metallurgy: risk assessment].

    PubMed

    Giugni, U

    2012-01-01

    Use of ionizing radiation sources in the metallurgical industry: risk assessment. Radioactive sources and fixed or mobile X-ray equipment are used for both process and quality control. The use of ionizing radiation sources requires careful risk assessment. The text lists the characteristics of the sources and the legal requirements, and contains a description of the documentation required and the methods used for risk assessment. It describes how to estimate the doses to operators and the relevant classification criteria used for the purpose of radiation protection. Training programs must be organized in close collaboration between the radiation protection expert and the occupational physician.

  5. A non-equilibrium equation-of-motion approach to quantum transport utilizing projection operators.

    PubMed

    Ochoa, Maicol A; Galperin, Michael; Ratner, Mark A

    2014-11-12

    We consider a projection operator approach to the non-equilibrium Green function equation-of-motion (PO-NEGF EOM) method. The technique resolves problems of arbitrariness in truncation of an infinite chain of EOMs and prevents violation of symmetry relations resulting from the truncation (equivalence of left- and right-sided EOMs is shown and symmetry with respect to interchange of Fermi or Bose operators before truncation is preserved). The approach, originally developed by Tserkovnikov (1999 Theor. Math. Phys. 118 85) for equilibrium systems, is reformulated to be applicable to time-dependent non-equilibrium situations. We derive a canonical form of EOMs, thus explicitly demonstrating a proper result for the non-equilibrium atomic limit in junction problems. A simple practical scheme applicable to quantum transport simulations is formulated. We perform numerical simulations within simple models and compare results of the approach to other techniques and (where available) also to exact results.

  6. The non-equilibrium phase diagrams of flow-induced crystallization and melting of polyethylene

    NASA Astrophysics Data System (ADS)

    Wang, Zhen; Ju, Jianzhu; Yang, Junsheng; Ma, Zhe; Liu, Dong; Cui, Kunpeng; Yang, Haoran; Chang, Jiarui; Huang, Ningdong; Li, Liangbin

    2016-09-01

    Combining extensional rheology with in-situ synchrotron ultrafast x-ray scattering, we studied flow-induced phase behaviors of polyethylene (PE) in a wide temperature range up to 240 °C. Non-equilibrium phase diagrams of crystallization and melting under flow conditions are constructed in stress-temperature space, composing of melt, non-crystalline δ, hexagonal and orthorhombic phases. The non-crystalline δ phase is demonstrated to be either a metastable transient pre-order for crystallization or a thermodynamically stable phase. Based on the non-equilibrium phase diagrams, nearly all observations in flow-induced crystallization (FIC) of PE can be well understood. The interplay of thermodynamic stabilities and kinetic competitions of the four phases creates rich kinetic pathways for FIC and diverse final structures. The non-equilibrium flow phase diagrams provide a detailed roadmap for precisely processing of PE with designed structures and properties.

  7. The transformation dynamics towards equilibrium in non-equilibrium w/w/o double emulsions

    NASA Astrophysics Data System (ADS)

    Chao, Youchuang; Mak, Sze Yi; Shum, Ho Cheung

    2016-10-01

    We use a glass-based microfluidic device to generate non-equilibrium water-in-water-in-oil (w/w/o) double emulsions and study how they transform into equilibrium configurations. The method relies on using three immiscible liquids, with two of them from the phase-separated aqueous two-phase systems. We find that the transformation is accompanied by an expansion rim, while the characteristic transformation speed of the rim mainly depends on the interfacial tension between the innermost and middle phases, as well as the viscosity of the innermost phase when the middle phase is non-viscous. Remarkably, the viscosity of the outermost phase has little effect on the transformation speed. Our results account for the dynamics of non-equilibrium double emulsions towards their equilibrium structure and suggest a possibility to utilize the non-equilibrium drops to synthesize functional particles.

  8. The non-equilibrium phase diagrams of flow-induced crystallization and melting of polyethylene

    PubMed Central

    Wang, Zhen; Ju, Jianzhu; Yang, Junsheng; Ma, Zhe; Liu, Dong; Cui, Kunpeng; Yang, Haoran; Chang, Jiarui; Huang, Ningdong; Li, Liangbin

    2016-01-01

    Combining extensional rheology with in-situ synchrotron ultrafast x-ray scattering, we studied flow-induced phase behaviors of polyethylene (PE) in a wide temperature range up to 240 °C. Non-equilibrium phase diagrams of crystallization and melting under flow conditions are constructed in stress-temperature space, composing of melt, non-crystalline δ, hexagonal and orthorhombic phases. The non-crystalline δ phase is demonstrated to be either a metastable transient pre-order for crystallization or a thermodynamically stable phase. Based on the non-equilibrium phase diagrams, nearly all observations in flow-induced crystallization (FIC) of PE can be well understood. The interplay of thermodynamic stabilities and kinetic competitions of the four phases creates rich kinetic pathways for FIC and diverse final structures. The non-equilibrium flow phase diagrams provide a detailed roadmap for precisely processing of PE with designed structures and properties. PMID:27609305

  9. Non-equilibrium effects upon the non-Markovian Caldeira-Leggett quantum master equation

    SciTech Connect

    Bolivar, A.O.

    2011-05-15

    Highlights: > Classical Brownian motion described by a non-Markovian Fokker-Planck equation. > Quantization process. > Quantum Brownian motion described by a non-Markovian Caldeira-Leggett equation. > A non-equilibrium quantum thermal force is predicted. - Abstract: We obtain a non-Markovian quantum master equation directly from the quantization of a non-Markovian Fokker-Planck equation describing the Brownian motion of a particle immersed in a generic environment (e.g. a non-thermal fluid). As far as the especial case of a heat bath comprising of quantum harmonic oscillators is concerned, we derive a non-Markovian Caldeira-Leggett master equation on the basis of which we work out the concept of non-equilibrium quantum thermal force exerted by the harmonic heat bath upon the Brownian motion of a free particle. The classical limit (or dequantization process) of this sort of non-equilibrium quantum effect is scrutinized, as well.

  10. Non-equilibrium assembly of microtubules: from molecules to autonomous chemical robots.

    PubMed

    Hess, H; Ross, Jennifer L

    2017-03-22

    Biological systems have evolved to harness non-equilibrium processes from the molecular to the macro scale. It is currently a grand challenge of chemistry, materials science, and engineering to understand and mimic biological systems that have the ability to autonomously sense stimuli, process these inputs, and respond by performing mechanical work. New chemical systems are responding to the challenge and form the basis for future responsive, adaptive, and active materials. In this article, we describe a particular biochemical-biomechanical network based on the microtubule cytoskeletal filament - itself a non-equilibrium chemical system. We trace the non-equilibrium aspects of the system from molecules to networks and describe how the cell uses this system to perform active work in essential processes. Finally, we discuss how microtubule-based engineered systems can serve as testbeds for autonomous chemical robots composed of biological and synthetic components.

  11. Interpolative Hyperbolic Realizable Moment Closures for Non-Equilibrium Flows with Heat Transfer

    NASA Astrophysics Data System (ADS)

    Tensuda, Boone Rudy

    The predictive capabilities of a novel, 14-moment, maximum-entropy-based, interpolative closure are explored for multi-dimensional non-equilibrium flows of a monatomic gas with heat transfer. Unlike the maximum-entropy closure on which it is based, the interpolative closure provides closed-form expressions for the closing fluxes while retaining a large region of hyperbolicity. Properties of the moment system are explored via a dispersion analysis and an implicit finite-volume solution procedure is proposed. Multi-dimensional applications of the closure are then examined for several canonical non-equilibrium flow problems in order to provide an assessment of its capabilities. The predictive capabilities of the closure were found to surpass those of the 10-moment Gaussian closure. It was also found to predict interesting non-equilibrium phenomena, such as counter-gradient heat flux. The proposed implicit solver showed improved computational performance compared to the previously studied semi-implicit technique.

  12. Effects of grid geometry on non-equilibrium dissipation in grid turbulence

    NASA Astrophysics Data System (ADS)

    Nagata, Koji; Saiki, Teppei; Sakai, Yasuhiko; Ito, Yasumasa; Iwano, Koji

    2017-01-01

    A total of 11 grids in four families, including single- and multi-scale grids, are tested to investigate the development and decay characteristics of grid-generated turbulence. Special attention has been focused on dissipation and non-equilibrium characteristics in the decay region. A wide non-equilibrium region is observed for fractal square grids with three and four iterations. The distributions of the Taylor microscale λ, integral length scale Lu, and dissipation coefficient C ɛ show that a simple combination of large and small grids does not reproduce elongated non-equilibrium regions as realized by the fractal square grid. On the other hand, a new kind of grid, quasi-fractal grids, in which the region of the smaller fractal elements ( N = 2 - 4 ) of the fractal square grid is replaced by regular grids, successfully reproduce a similar flow field and non-equilibrium nature to that seen in the fractal square grid case. This suggests that the combination of large square grid and inhomogeneously arranged smaller grids produces an elongated non-equilibrium region. The dissipation coefficient C ɛ is better collapsed using R e 0 = t 0 U ∞ / ν (where t0 is the thickness of the largest grid bar, U ∞ the inflow velocity, and ν the kinematic viscosity) as a global/inlet Reynolds number rather than R e M = M U ∞ / ν (where M is the mesh size) [P. C. Valente and J. C. Vassilicos, "Universal dissipation scaling for non-equilibrium turbulence," Phys. Rev. Lett. 108, 214503 (2012)].

  13. Non-equilibrium Ionization Modeling of Simulated Pseudostreamers in a Solar Corona Model

    NASA Astrophysics Data System (ADS)

    Shen, Chengcai; Raymond, John C.; Mikić, Zoran; Linker, Jon; Reeves, Katharine K.; Murphy, Nicholas A.

    2015-04-01

    Time-dependent ionization is important for diagnostics of coronal streamers, where the thermodynamic time scale could be shorter than the ionization or recombination time scales, and ions are therefor in non-equilibrium ionization states. In this work, we perform post-processing time-dependent ionization calculations for a three dimensional solar corona and inner heliosphere model from Predictive Sciences Inc. (Mikić & Linker 1999) to analyze the influence of non-equilibrium ionization on emission from coronal streamers. Using the plasma temperature, density, velocity and magnetic field distributions provided by the 3D MHD simulation covering the Whole Sun Month (Carrington rotation CR1913, 1996 August 22 to September 18), we calculate non-equilibrium ionization states in the region around a pseudostreamer. We then obtain the synthetic emissivities with the non-equilibrium ion populations. Under the assumption that the corona is optically thin, we also obtain intensity profiles of several emission lines. We compare our calculations with intensities of Lyman-alpha lines and OVI lines from SOHO/Ultraviolet Coronagraph Spectrometer (UVCS) observations at 14 different heights. The results show that intensity profiles of both Lyman-alpha and OVI lines match well UVCS observations at low heights. At large heights, OVI intensites are higher for non-equilibrium ionization than equilibrium ionization inside this pseudostreamer. The assumption of ionization equilibrium would lead to a underestimate of the OVI intensity by about ten percent at a height of 2 solar radii, and the difference between these two ionization cases increases with height. The intensity ratio of OVI 1032 line to OVI 1037 lines is also obtained for non-equilibrium ionization modeling.

  14. Influence of Penning effect on the plasma features in a non-equilibrium atmospheric pressure plasma jet

    SciTech Connect

    Chang, Zhengshi; Zhang, Guanjun; Jiang, Nan; Cao, Zexian

    2014-03-14

    Non-equilibrium atmospheric pressure plasma jet (APPJ) is a cold plasma source that promises various innovative applications. The influence of Penning effect on the formation, propagation, and other physical properties of the plasma bullets in APPJ remains a debatable topic. By using a 10 cm wide active electrode and a frequency of applied voltage down to 0.5 Hz, the Penning effect caused by preceding discharges can be excluded. It was found that the Penning effect originating in a preceding discharge helps build a conductive channel in the gas flow and provide seed electrons, thus the discharge can be maintained at a low voltage which in turn leads to a smaller propagation speed for the plasma bullet. Photographs from an intensified charge coupled device reveal that the annular structure of the plasma plume for He is irrelevant to the Penning ionization process arising from preceding discharges. By adding NH{sub 3} into Ar to introduce Penning effect, the originally filamentous discharge of Ar can display a rather extensive plasma plume in ambient as He. These results are helpful for the understanding of the behaviors of non-equilibrium APPJs generated under distinct conditions and for the design of plasma jet features, especially the spatial distribution and propagation speed, which are essential for application.

  15. Non-equilibrium processes by a gas phase synthesis of diamond

    NASA Astrophysics Data System (ADS)

    Rebrov, A. K.; Yudin, I. B.

    2016-11-01

    The analysis of influence of heterogeneous reactions in rarefied gas flows with dissociation and recombination is carried on for the first time, at least for hydrogen and methane flows. The flow in channels with heterogeneous reaction can be equilibrium and non-equilibrium, depending on a flow rate. Non-equilibrium effects are pronounced as a rule in the space between channel exit and substrate, where the activated gas flow to the surface of diamond deposition is formed. The gas dynamic analysis of gas jet deposition of diamond facilitates the optimization of experiments and their analysis.

  16. Wall ablation of heated compound-materials into non-equilibrium discharge plasmas

    NASA Astrophysics Data System (ADS)

    Wang, Weizong; Kong, Linghan; Geng, Jinyue; Wei, Fuzhi; Xia, Guangqing

    2017-02-01

    The discharge properties of the plasma bulk flow near the surface of heated compound-materials strongly affects the kinetic layer parameters modeled and manifested in the Knudsen layer. This paper extends the widely used two-layer kinetic ablation model to the ablation controlled non-equilibrium discharge due to the fact that the local thermodynamic equilibrium (LTE) approximation is often violated as a result of the interaction between the plasma and solid walls. Modifications to the governing set of equations, to account for this effect, are derived and presented by assuming that the temperature of the electrons deviates from that of the heavy particles. The ablation characteristics of one typical material, polytetrafluoroethylene (PTFE) are calculated with this improved model. The internal degrees of freedom as well as the average particle mass and specific heat ratio of the polyatomic vapor, which strongly depends on the temperature, pressure and plasma non-equilibrium degree and plays a crucial role in the accurate determination of the ablation behavior by this model, are also taken into account. Our assessment showed the significance of including such modifications related to the non-equilibrium effect in the study of vaporization of heated compound materials in ablation controlled arcs. Additionally, a two-temperature magneto-hydrodynamic (MHD) model accounting for the thermal non-equilibrium occurring near the wall surface is developed and applied into an ablation-dominated discharge for an electro-thermal chemical launch device. Special attention is paid to the interaction between the non-equilibrium plasma and the solid propellant surface. Both the mass exchange process caused by the wall ablation and plasma species deposition as well as the associated momentum and energy exchange processes are taken into account. A detailed comparison of the results of the non-equilibrium model with those of an equilibrium model is presented. The non-equilibrium results

  17. Non-equilibrium origin of high electrical conductivity in gallium zinc oxide thin films

    SciTech Connect

    Zakutayev, Andriy Ginley, David S.; Lany, Stephan; Perry, Nicola H.; Mason, Thomas O.

    2013-12-02

    Non-equilibrium state defines physical properties of materials in many technologies, including architectural, metallic, and semiconducting amorphous glasses. In contrast, crystalline electronic and energy materials, such as transparent conductive oxides (TCO), are conventionally thought to be in equilibrium. Here, we demonstrate that high electrical conductivity of crystalline Ga-doped ZnO TCO thin films occurs by virtue of metastable state of their defects. These results imply that such defect metastability may be important in other functional oxides. This finding emphasizes the need to understand and control non-equilibrium states of materials, in particular, their metastable defects, for the design of novel functional materials.

  18. Note: Local thermal conductivities from boundary driven non-equilibrium molecular dynamics simulations

    SciTech Connect

    Bresme, F.; Armstrong, J.

    2014-01-07

    We report non-equilibrium molecular dynamics simulations of heat transport in models of molecular fluids. We show that the “local” thermal conductivities obtained from non-equilibrium molecular dynamics simulations agree within numerical accuracy with equilibrium Green-Kubo computations. Our results support the local equilibrium hypothesis for transport properties. We show how to use the local dependence of the thermal gradients to quantify the thermal conductivity of molecular fluids for a wide range of thermodynamic states using a single simulation.

  19. Correlations of the density and of the current in non-equilibrium diffusive systems

    NASA Astrophysics Data System (ADS)

    Sadhu, Tridib; Derrida, Bernard

    2016-11-01

    We use fluctuating hydrodynamics to analyze the dynamical properties in the non-equilibrium steady state of a diffusive system coupled with reservoirs. We derive the two-time correlations of the density and of the current in the hydrodynamic limit in terms of the diffusivity and the mobility. Within this hydrodynamic framework we discuss a generalization of the fluctuation dissipation relation in a non-equilibrium steady state where the response function is expressed in terms of the two-time correlations. We compare our results to an exact solution of the symmetric exclusion process. This exact solution also allows one to directly verify the fluctuating hydrodynamics equation.

  20. Studying non-equilibrium many-body dynamics using one-dimensional Bose gases

    SciTech Connect

    Langen, Tim; Gring, Michael; Kuhnert, Maximilian; Rauer, Bernhard; Geiger, Remi; Mazets, Igor; Smith, David Adu; Schmiedmayer, Jörg; Kitagawa, Takuya; Demler, Eugene

    2014-12-04

    Non-equilibrium dynamics of isolated quantum many-body systems play an important role in many areas of physics. However, a general answer to the question of how these systems relax is still lacking. We experimentally study the dynamics of ultracold one-dimensional (1D) Bose gases. This reveals the existence of a quasi-steady prethermalized state which differs significantly from the thermal equilibrium of the system. Our results demonstrate that the dynamics of non-equilibrium quantum many-body systems is a far richer process than has been assumed in the past.

  1. Non-Equilibrium Thermodynamic Chemistry and the Composition of the Atmosphere of Mars

    NASA Technical Reports Server (NTRS)

    Levine, J. S.; Summers, M. E.

    2003-01-01

    A high priority objective of the Mars Exploration Program is to Determine if life exists today (MEPAG Goal I, Objective A). The measurement of gases of biogenic origin may be an approach to detect the presence of microbial life on the surface or subsurface of Mars. Chemical thermodynamic calculations indicate that on both Earth and Mars, certain gases should exist in extremely low concentrations, if at all. Microbial metabolic activity is an important non-equilibrium chemistry process on Earth, and if microbial life exists on Mars, may be an important nonequilibrium chemistry process on Mars. The non-equilibrium chemistry of the atmosphere of Mars is discussed in this paper.

  2. Non-equilibrium STLS approach to transport properties of single impurity Anderson model

    SciTech Connect

    Rezai, Raheleh Ebrahimi, Farshad

    2014-04-15

    In this work, using the non-equilibrium Keldysh formalism, we study the effects of the electron–electron interaction and the electron-spin correlation on the non-equilibrium Kondo effect and the transport properties of the symmetric single impurity Anderson model (SIAM) at zero temperature by generalizing the self-consistent method of Singwi, Tosi, Land, and Sjolander (STLS) for a single-band tight-binding model with Hubbard type interaction to out of equilibrium steady-states. We at first determine in a self-consistent manner the non-equilibrium spin correlation function, the effective Hubbard interaction, and the double-occupancy at the impurity site. Then, using the non-equilibrium STLS spin polarization function in the non-equilibrium formalism of the iterative perturbation theory (IPT) of Yosida and Yamada, and Horvatic and Zlatic, we compute the spectral density, the current–voltage characteristics and the differential conductance as functions of the applied bias and the strength of on-site Hubbard interaction. We compare our spectral densities at zero bias with the results of numerical renormalization group (NRG) and depict the effects of the electron–electron interaction and electron-spin correlation at the impurity site on the aforementioned properties by comparing our numerical result with the order U{sup 2} IPT. Finally, we show that the obtained numerical results on the differential conductance have a quadratic universal scaling behavior and the resulting Kondo temperature shows an exponential behavior. -- Highlights: •We introduce for the first time the non-equilibrium method of STLS for Hubbard type models. •We determine the transport properties of SIAM using the non-equilibrium STLS method. •We compare our results with order-U2 IPT and NRG. •We show that non-equilibrium STLS, contrary to the GW and self-consistent RPA, produces the two Hubbard peaks in DOS. •We show that the method keeps the universal scaling behavior and correct

  3. A non-equilibrium model for soil heating and moisture transport during extreme surface heating: the soil (heat-moisture-vapor) HMV-Model Version 1

    NASA Astrophysics Data System (ADS)

    Massman, W. J.

    2015-11-01

    Increased use of prescribed fire by land managers and the increasing likelihood of wildfires due to climate change require an improved modeling capability of extreme heating of soils during fires. This issue is addressed here by developing and testing the soil (heat-moisture-vapor) HMV-model, a 1-D (one-dimensional) non-equilibrium (liquid-vapor phase change) model of soil evaporation that simulates the coupled simultaneous transport of heat, soil moisture, and water vapor. This model is intended for use with surface forcing ranging from daily solar cycles to extreme conditions encountered during fires. It employs a linearized Crank-Nicolson scheme for the conservation equations of energy and mass and its performance is evaluated against dynamic soil temperature and moisture observations, which were obtained during laboratory experiments on soil samples exposed to surface heat fluxes ranging between 10 000 and 50 000 W m-2. The Hertz-Knudsen equation is the basis for constructing the model's non-equilibrium evaporative source term. Some unusual aspects of the model that were found to be extremely important to the model's performance include (1) a dynamic (temperature and moisture potential dependent) condensation coefficient associated with the evaporative source term, (2) an infrared radiation component to the soil's thermal conductivity, and (3) a dynamic residual soil moisture. This last term, which is parameterized as a function of temperature and soil water potential, is incorporated into the water retention curve and hydraulic conductivity functions in order to improve the model's ability to capture the evaporative dynamics of the strongly bound soil moisture, which requires temperatures well beyond 150 °C to fully evaporate. The model also includes film flow, although this phenomenon did not contribute much to the model's overall performance. In general, the model simulates the laboratory-observed temperature dynamics quite well, but is less precise (but

  4. Indirect detection of radiation sources through direct detection of radiolysis products

    DOEpatents

    Farmer, Joseph C.; Fischer, Larry E.; Felter, Thomas E.

    2010-04-20

    A system for indirectly detecting a radiation source by directly detecting radiolytic products. The radiation source emits radiation and the radiation produces the radiolytic products. A fluid is positioned to receive the radiation from the radiation source. When the fluid is irradiated, radiolytic products are produced. By directly detecting the radiolytic products, the radiation source is detected.

  5. Purely radiating and nonradiating scalar, electromagnetic and weak gravitational sources

    NASA Astrophysics Data System (ADS)

    Marengo, Edwin A.; Ziolkowski, Richard W.

    2000-03-01

    It has been known for some time that localized sources to the scalar wave equation and Maxwell's equations exist which do not radiate. Such sources, referred to as non-radiating (NR) sources, generate vanishing fields outside their spatial support which prevents them from interacting with nearby objects by means of their fields. Work on NR sources dates back to Sommerfeld, Herglotz, Hertz, Ehrenfest and Schott who studied these objects in connection with electron and atom models. NR sources have also appeared extensively in inverse source/scattering theories as members of the null space of the source-to-field mapping. In this presentation, we provide a new description of scalar, vector or tensor NR sources and of a complementary class of sources, namely, sources that lack a NR part, i.e., `purely radiating' sources. We show that the class of square-integrable localized purely radiating scalar, electromagnetic or weak gravitational sources is exactly the class of solutions - within the source's support - of the homogeneous form of the associated partial differential equation relating the sources to their fields, i.e., purely radiating sources are themselves fields. As a consequence of this result, NR sources are shown to be inseparable components of a broad class of physically relevant sources, thereby having a physical significance that transcends their use in wave-theoretic inversion models. Localized NR sources are characterized in connection with the concept of reciprocity as non-interactors. The role of NR sources in absorption of radiation and energy storage is addressed. The general theoretical results are illustrated with the aid of a one-dimensional (1D) electromagnetic example corresponding to a transmission line system (equivalently, a 1D plane wave system) with uniformly distributed sources/loads.

  6. Detailed observations of the source of terrestrial narrowband electromagnetic radiation

    NASA Technical Reports Server (NTRS)

    Kurth, W. S.

    1982-01-01

    Detailed observations are presented of a region near the terrestrial plasmapause where narrowband electromagnetic radiation (previously called escaping nonthermal continuum radiation) is being generated. These observations show a direct correspondence between the narrowband radio emissions and electron cyclotron harmonic waves near the upper hybrid resonance frequency. In addition, electromagnetic radiation propagating in the Z-mode is observed in the source region which provides an extremely accurate determination of the electron plasma frequency and, hence, density profile of the source region. The data strongly suggest that electrostatic waves and not Cerenkov radiation are the source of the banded radio emissions and define the coupling which must be described by any viable theory.

  7. Non-linear optical diagnostic studies of high pressure non-equilibrium plasmas

    NASA Astrophysics Data System (ADS)

    Lempert, Walter

    2012-10-01

    Picosecond Coherent Anti-Stokes Raman Spectroscopy (CARS) is used for study of vibrational energy loading and relaxation kinetics in high pressure nitrogen and air nsec pulsed non-equilibrium plasmas in a pin-to-pin geometry. It is found that ˜33% of total discharge energy in a single pulse in air at 100 torr couples directly to nitrogen vibration by electron impact, in good agreement with master equation modeling predictions. However in the afterglow the total quanta in vibrational levels 0 -- 9 is found to increase by a factor of approximately 2 and 4 in nitrogen and air, respectively, a result in direct contrast to modeling results which predict the total number of quanta to be essentially constant. More detailed comparison between experiment and model show that the VDF predicted by the model during, and directly after, the discharge pulse is in good agreement with that determined experimentally, however for time delays exceeding ˜10 μsec the experimental and predicted VDFs diverge rapidly, particularly for levels v = 2 and greater. Specifically modeling predicts a rapid drop in population of high levels due to net downward V-V energy transfer whereas the experiment shows an increase in population in levels 2 and 3 and approximately constant population for higher levels. It is concluded that a collisional process is feeding high vibrational levels at a rate which is comparable to the rate at which population of the high levels is lost due to net downward V-V. A likely candidate for the source of additional vibrational quanta is the quenching of metastable electronic states of nitrogen to highly excited vibrational levels of the ground electronic state. Recent progress in the development and application of psec coherent Raman electric field and spontaneous Thomson scattering diagnostics for study of high pressure nsec pulsed plasmas will also be presented.

  8. Developments in Power efficient dissociation of CO2 using non-equilibrium plasma activation

    NASA Astrophysics Data System (ADS)

    van de Sanden, Richard

    2013-09-01

    Sustainable energy generation by means of, either photovoltaic conversion, concentrated solar power or wind, will certainly form a significant part of the energy mix in 2025. The intermittency as well as the temporal variation and the regional spread of this energy source, however, requires a means to store and transport energy on a large scale. In this presentation the means of storage will be addressed of sustainable energy transformed into fuels and the prominent role plasma science and technology can play in this great challenge. The storage of sustainable energy in these so called solar fuels, e.g. hydrocarbons and alcohols, by means of artificial photosynthesis from the feedstock CO2 and H2O, will enable a CO2 neutral power generation infrastructure, which is close to the present infrastructure based on fossil fuels. The challenge will be to achieve power efficient dissociation of CO2 or H2O or both, after which traditional chemical conversion (Fisher-Tropsch, Sabatier, etc.) towards fuels can take place. A promising route is the dissociation or activation of CO2 by means of plasma, possible combined with catalysis. Taking advantage of non-equilibrium plasma conditions to reach optimal energy efficiency we have started a solar fuels program at the beginning of 2012 focusing on CO2 plasma dissociation into CO and O2. The plasma is generated in a low loss microwave cavity with microwave powers up to 10 kW using a supersonic expansion to quench the plasma and prevent vibrational-translational relaxation losses. New ideas on the design of the facility and results on power efficient conversion (more then 50%) of large CO2 flows (up to 75 standard liter per minute with 11% conversion) at low gas temperatures will be presented.

  9. Transition undulator radiation as bright infrared sources

    SciTech Connect

    Kim, K.J.

    1995-02-01

    Undulator radiation contains, in addition to the usual component with narrow spectral features, a broad-band component in the low frequency region emitted in the near forward direction, peaked at an angle 1/{gamma}, where {gamma} is the relativistic factor. This component is referred to as the transition undulator radiation, as it is caused by the sudden change in the electron`s longitudinal velocity as it enters and leaves the undulator. The characteristic of the transition undulator radiation are analyzed and compared with the infrared radiation from the usual undulator harmonics and from bending magnets.

  10. [UV-radiation--sources, wavelength, environment].

    PubMed

    Hölzle, Erhard; Hönigsmann, Herbert

    2005-09-01

    The UV-radiation in our environment is part of the electromagnetic radiation, which emanates from the sun. It is designated as optical radiation and reaches from 290-4,000 nm on the earth's surface. According to international definitions UV irradiation is divided into short-wave UVC (200-280 nm), medium-wave UVB (280-320 nm), and long-wave UVA (320-400 nm). Solar radiation which reaches the surface of the globe at a defined geographical site and a defined time point is called global radiation. It is modified quantitatively and qualitatively while penetrating the atmosphere. Besides atmospheric conditions, like ozone layer and air pollution, geographic latitude, elevation, time of the season, time of the day, cloudiness and the influence of indirect radiation resulting from stray effects in the atmosphere and reflection from the underground play a role in modifying global radiation, which finally represents the biologically effective radiation. The radiation's distribution on the body surface varies according to sun angle and body posture. The cumulative UV exposure is mainly influenced by outdoor profession and recreational activities. The use of sun beds and phototherapeutic measures additionally may contribute to the cumulative UV dose.

  11. Information-theoretic tools for parametrized coarse-graining of non-equilibrium extended systems

    NASA Astrophysics Data System (ADS)

    Katsoulakis, Markos A.; Plecháč, Petr

    2013-08-01

    In this paper, we focus on the development of new methods suitable for efficient and reliable coarse-graining of non-equilibrium molecular systems. In this context, we propose error estimation and controlled-fidelity model reduction methods based on Path-Space Information Theory, combined with statistical parametric estimation of rates for non-equilibrium stationary processes. The approach we propose extends the applicability of existing information-based methods for deriving parametrized coarse-grained models to Non-Equilibrium systems with Stationary States. In the context of coarse-graining it allows for constructing optimal parametrized Markovian coarse-grained dynamics within a parametric family, by minimizing information loss (due to coarse-graining) on the path space. Furthermore, we propose an asymptotically equivalent method—related to maximum likelihood estimators for stochastic processes—where the coarse-graining is obtained by optimizing the information content in path space of the coarse variables, with respect to the projected computational data from a fine-scale simulation. Finally, the associated path-space Fisher Information Matrix can provide confidence intervals for the corresponding parameter estimators. We demonstrate the proposed coarse-graining method in (a) non-equilibrium systems with diffusing interacting particles, driven by out-of-equilibrium boundary conditions, as well as (b) multi-scale diffusions and the corresponding stochastic averaging limits, comparing them to our proposed methodologies.

  12. Rheology modulated non-equilibrium fluctuations in time-dependent diffusion processes

    NASA Astrophysics Data System (ADS)

    Maity, Debonil; Bandopadhyay, Aditya; Chakraborty, Suman

    2016-11-01

    The effect of non-Newtonian rheology, manifested through a viscoelastic linearized Maxwell model, on the time-dependent non-equilibrium concentration fluctuations due to free diffusion as well as thermal diffusion of a species is analyzed theoretically. Contrary to the belief that non-equilibrium Rayleigh line is not influenced by viscoelastic effects, through rigorous calculations, we put forward the fact that viscoelastic effects do influence the non-equilibrium Rayleigh line, while the effects are absent for the equilibrium scenario. The non-equilibrium process is quantified through the concentration fluctuation auto-correlation function, also known as the structure factor. The analysis reveals that the effect of rheology is prominent for both the cases of free diffusion and thermal diffusion at long times, where the influence of rheology dictates not only the location of the peaks in concentration dynamic structure factors, but also the magnitudes; such peaks in dynamic structure factors are absent in the case of Newtonian fluid. At smaller times, for the case of free diffusion, presence of time-dependent peak(s) are observed, which are weakly dependent on the influence of rheology, a phenomenon which is absent in the case of thermal diffusion. Different regimes of the frequency dependent overall dynamic structure factor, depending on the interplay of the fluid relaxation time and momentum diffusivity, are evaluated. The static structure factor is not affected to a great extent for the case of free-diffusion and is unaffected for the case of thermal diffusion.

  13. Non-equilibrium condensation process in holographic superconductor with nonlinear electrodynamics

    NASA Astrophysics Data System (ADS)

    Liu, Yunqi; Gong, Yungui; Wang, Bin

    2016-02-01

    We study the non-equilibrium condensation process in a holographic superconductor with nonlinear corrections to the U (1) gauge field. We start with an asymptotic Anti-de-Sitter (AdS) black hole against a complex scalar perturbation at the initial time, and solve the dynamics of the gravitational systems in the bulk. When the black hole temperature T is smaller than a critical value T c , the scalar perturbation grows exponentially till saturation, the final state of spacetime approaches to a hairy black hole. In the bulk theory, we find the clue of the influence of nonlinear corrections in the gauge filed on the process of the scalar field condensation. We show that the bulk dynamics in the non-equilibrium process is completely consistent with the observations on the boundary order parameter. Furthermore we examine the time evolution of horizons in the bulk non-equilibrium transformation process from the bald AdS black hole to the AdS hairy hole. Both the evolution of apparent and event horizons show that the original AdS black hole configuration requires more time to finish the transformation to become a hairy black hole if there is nonlinear correction to the electromagnetic field. We generalize our non-equilibrium discussions to the holographic entanglement entropy and find that the holographic entanglement entropy can give us further understanding of the influence of the nonlinearity in the gauge field on the scalar condensation.

  14. A time-accurate implicit method for chemical non-equilibrium flows at all speeds

    NASA Technical Reports Server (NTRS)

    Shuen, Jian-Shun

    1992-01-01

    A new time accurate coupled solution procedure for solving the chemical non-equilibrium Navier-Stokes equations over a wide range of Mach numbers is described. The scheme is shown to be very efficient and robust for flows with velocities ranging from M less than or equal to 10(exp -10) to supersonic speeds.

  15. Comparison of equilibrium and non-equilibrium distribution coefficients for the human drug carbamazepine

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The distribution coefficient (KD) for the human drug carbamazepine was measured using a non-equilibrium technique. Repacked soil columns were prepared using an Airport silt loam (Typic Natrustalf) with an average organic matter content of 2.45%. Carbamazepine solutions were then leached through th...

  16. Modelling non-equilibrium thermodynamic systems from the speed-gradient principle.

    PubMed

    Khantuleva, Tatiana A; Shalymov, Dmitry S

    2017-03-06

    The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed.This article is part of the themed issue 'Horizons of cybernetical physics'.

  17. Modelling non-equilibrium thermodynamic systems from the speed-gradient principle

    NASA Astrophysics Data System (ADS)

    Khantuleva, Tatiana A.; Shalymov, Dmitry S.

    2017-03-01

    The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed. This article is part of the themed issue 'Horizons of cybernetical physics'.

  18. Jet quenching and gluon to hadron fragmentation function in non-equilibrium QCD at RHIC and LHC

    NASA Astrophysics Data System (ADS)

    Nayak, Gouranga C.

    2017-01-01

    Theoretical understanding of the observed jet quenching measurements at RHIC and LHC is challenging in QCD because it requires understanding of parton to hadron fragmentation function in non-equilibrium QCD. In this paper, by using closed-time path integral formalism, we derive the gauge invariant definition of the gluon to hadron fragmentation function in non-equilibrium QCD which is consistent with factorization theorem in non-equilibrium QCD from first principles.

  19. Solar Atmospheric Energy Redistribution Across Multiple Classes of Observable Sources of Solar Radiation

    NASA Astrophysics Data System (ADS)

    Orange, Norton Brice

    This thesis investigates solar atmospheric energy redistribution across multiple classes of observable sources, while carrying out extensive work for increasing the proficiency of solar observational data's scientific return via a semi-autonomous data-acquisition algorithm. Minimal long-term pointing variations between limb and correlation derived pointings of the Atmospheric Imaging Assembly (AIA) and Helioseismic Magnetic Imager instruments provide evidence that the image-center positions achieve single-pixel accuracy on time scales shorter than their characterization. However, daily AIA passband pointing variations indicate autonomous sub-arcsecond co-registration is not yet fully achievable. Three year variations of ultra-violet (UV), far UV, and extreme-UV flux in coronal hole (CH), quiet Sun (QS), active region (AR), and flares (FLs), as well as irradiances, are consistent with expected trends of chromospheric, transition region (TR), and coronal plasmas. Radiative and magnetic energy couplings reveal a self-similarity between CH, QS, and ARs; indicative of a single dominant heating mechanism. FLs provide evidence of a runaway self-organized criticality of flaring activity -- a heating component married to the magnetic field distribution. Large scale statistical properties of BP phenomena, and a detailed comparison of a transition region BP, coronal BP, and blinker, indicated that measuring similar characteristics across multiple event types holds class-predictive power, and is a significant step towards automated multi-class classification of unresolved transient EUV sources. This work directly ties the catastrophic cooling of a cool loop to its non-equilibrium structure (via reconnection at a single footpoint site), and indicates the TR as its heating site due to subsequent plasma evaporation. The first evidence of "S-shape" loop arcades at TR temperatures in QS conditions is provided, as well as that their demise, i.e., relaxed non-potential magnetic

  20. Improved source of infrared radiation for spectroscopy

    NASA Technical Reports Server (NTRS)

    Burkhard, D. G.; Rao, K. N.

    1971-01-01

    Radiation from a crimped V-groove in the electrically heated metallic element of a high-resolution infrared spectrometer is more intense than that from plane areas adjacent to the element. Radiation from the vee and the flat was compared by alternately focusing on the entrance slit of a spectrograph.

  1. Radiation Protection for Manned Interplanetary Missions - Radiation Sources, Risks, Remedies

    NASA Astrophysics Data System (ADS)

    Facius, R.; Reitz, G.

    Health risks in interplanetary explorative missions differ in two major features significantly from those during the manned missions experienced so far. For one, presently available technologies lead to durations of such missions significantly longer than so far encountered - with the added complication that emergency returns are ruled out. Thus radiation exposures and hence risks for late radiation sequelae like cancer increase proportional to mission duration - similar like most other health and many technical risks too. Secondly, loss of the geomagnetic shielding available in low earth orbits (LEO) does increase the radiation dose rates from galactic cosmic rays (GCR) since significant fractions of the GCR flux below about 10 GeV/n now can reach the space vehicle. In addition, radiation from solar particle events (SPE) which at most in polar orbit segments can contribute to the radiation exposure during LEO missions now can reach the spaceship unattenuated. Radiation doses from extreme SPEs can reach levels where even early acute radiation sickness might ensue - with the added risks from potentially associated crew performance decrements. In contrast to the by and large predictable GCR contribution, the doses and hence risks from large SPEs can only stochastically be assessed. Mission designers face the task to contain the overall health risk within acceptable limits. Towards this end they have to transport the particle fluxes of the radiation fields in free space through the walls of the spaceship and through the tissue of the astronaut to the radiation sensitive organs. To obtain a quantity which is useful for risk assessment, the radiobiological effectiveness as well as the specific sensitivity of a given organ has to be accounted for in such transport calculations which of course require a detailed knowledge of the spatial distribution and the atomic composition of the surrounding shielding material. In doing so the mission designer encounters two major

  2. Analysis of non-equilibrium phenomena in inductively coupled plasma generators

    NASA Astrophysics Data System (ADS)

    Zhang, W.; Lani, A.; Panesi, M.

    2016-07-01

    This work addresses the modeling of non-equilibrium phenomena in inductively coupled plasma discharges. In the proposed computational model, the electromagnetic induction equation is solved together with the set of Navier-Stokes equations in order to compute the electromagnetic and flow fields, accounting for their mutual interaction. Semi-classical statistical thermodynamics is used to determine the plasma thermodynamic properties, while transport properties are obtained from kinetic principles, with the method of Chapman and Enskog. Particle ambipolar diffusive fluxes are found by solving the Stefan-Maxwell equations with a simple iterative method. Two physico-mathematical formulations are used to model the chemical reaction processes: (1) A Local Thermodynamics Equilibrium (LTE) formulation and (2) a thermo-chemical non-equilibrium (TCNEQ) formulation. In the TCNEQ model, thermal non-equilibrium between the translational energy mode of the gas and the vibrational energy mode of individual molecules is accounted for. The electronic states of the chemical species are assumed in equilibrium with the vibrational temperature, whereas the rotational energy mode is assumed to be equilibrated with translation. Three different physical models are used to account for the coupling of chemistry and energy transfer processes. Numerical simulations obtained with the LTE and TCNEQ formulations are used to characterize the extent of non-equilibrium of the flow inside the Plasmatron facility at the von Karman Institute. Each model was tested using different kinetic mechanisms to assess the sensitivity of the results to variations in the reaction parameters. A comparison of temperatures and composition profiles at the outlet of the torch demonstrates that the flow is in non-equilibrium for operating conditions characterized by pressures below 30 000 Pa, frequency 0.37 MHz, input power 80 kW, and mass flow 8 g/s.

  3. Source of coherent short wavelength radiation

    DOEpatents

    Villa, Francesco

    1990-01-01

    An apparatus for producing coherent radiation ranging from X-rays to the far ultraviolet (i.e., 1 Kev to 10 eV) utilizing the Compton scattering effect. A photon beam from a laser is scattered on a high energy electron bunch from a pulse power linac. The short wavelength radiation produced by such scattering has sufficient intensity and spatial coherence for use in high resolution applications such as microscopy.

  4. Assessing life's effects on the interior dynamics of planet Earth using non-equilibrium thermodynamics

    NASA Astrophysics Data System (ADS)

    Dyke, J. G.; Gans, F.; Kleidon, A.

    2010-09-01

    Vernadsky described life as the geologic force, while Lovelock noted the role of life in driving the Earth's atmospheric composition to a unique state of thermodynamic disequilibrium. Here, we use these notions in conjunction with thermodynamics to quantify biotic activity as a driving force for geologic processes. Specifically, we explore the hypothesis that biologically-mediated processes operating on the surface of the Earth, such as the biotic enhancement of weathering of continental crust, affect interior processes such as mantle convection and have therefore shaped the evolution of the whole Earth system beyond its surface and atmosphere. We set up three simple models of mantle convection, oceanic crust recycling and continental crust recycling. We describe these models in terms of non-equilibrium thermodynamics in which the generation and dissipation of gradients is central to driving their dynamics and that such dynamics can be affected by their boundary conditions. We use these models to quantify the maximum power that is involved in these processes. The assumption that these processes, given a set of boundary conditions, operate at maximum levels of generation and dissipation of free energy lead to reasonable predictions of core temperature, seafloor spreading rates, and continental crust thickness. With a set of sensitivity simulations we then show how these models interact through the boundary conditions at the mantle-crust and oceanic-continental crust interfaces. These simulations hence support our hypothesis that the depletion of continental crust at the land surface can affect rates of oceanic crust recycling and mantle convection deep within the Earth's interior. We situate this hypothesis within a broader assessment of surface-interior interactions by setting up a work budget of the Earth's interior to compare the maximum power estimates that drive interior processes to the power that is associated with biotic activity. We estimate that the

  5. Location of Sources of Radiation Using a Weighted Hyperbolic Technique

    NASA Technical Reports Server (NTRS)

    Thomson, E. M.

    1995-01-01

    The specific problem objective was to locate the sources of radiated electric field from lightning using an overdetermined set of measurements of time-of-arrival. A similar problem exists for epicentral sources in earthquake location, acoustic sources of thunder, and terrestrial navigation using LORAN and GPS.

  6. On determining continuum quantities of non-equilibrium processes via molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Fu, Yao

    In this dissertation, a high-fidelity atomistic-to-continuum link for highly non-equilibrium processes has been established by making several modifications to Hardy's theory. Although Hardy's thermomechanical quantities were derived analytically to conserve mass, momentum and energy, they have not been rigorously tested and validated numerically in the past. Hence the first task was to investigate the effectiveness of ensemble averaging in removing thermal fluctuations and compare with conventional time averaging for fcc crystals simulated using both equilibrium and non-equilibrium molecular dynamics (MD) simulations, where the non-equilibrium process was introduced by a shock impact. It has been found that the ensemble averaging has better convergence than time averaging due to the statistical independence of the thermomechanical quantities computed using ensemble averaging. The second task was to test the validity of Hardy's theory by checking if it is able to conserve mass, momentum and energy numerically. A few highly non-equilibrium processes were simulated using MD, including Gaussian wave and shock impact propagation in 1D and 3D fcc crystals. Based on the test results, a new normalization rule has been proposed so that the computed thermomechanical quantities can conserve the fundamental properties more accurately. To a large extent, Hardy's theory has been found to be valid regardless of the width of the localization function, the interatomic potential and crystal structure, and with and without ensemble averaging. To further test the validity of Hardy's theory for more complex non-equilibrium processes, where plastic deformation is accomplished through dislocation glide and slip band emission, a crack propagation problem in iron crystal with a pre-created center crack is simulated using MD. The computed Hardy's thermomechanical quantities can generally conserve mass, momentum and energy. Exceptions have been found around the crack region, where the

  7. Predicting the stellar and non-equilibrium dust emission spectra of high-resolution simulated galaxies with DART-RAY

    NASA Astrophysics Data System (ADS)

    Natale, Giovanni; Popescu, Cristina C.; Tuffs, Richard. J.; Debattista, Victor P.; Fischera, Jörg; Grootes, Meiert W.

    2015-05-01

    We describe the calculation of the stochastically heated dust emission using the 3D ray-tracing dust radiative transfer code DART-RAY, which is designed to solve the dust radiative transfer problem for galaxies with arbitrary geometries. In order to reduce the time required to derive the non-equilibrium dust emission spectra from each volume element within a model, we implemented an adaptive spectral energy distribution library approach, which we tested for the case of axisymmetric galaxy geometries. To show the capabilities of the code, we applied DART-RAY to a high-resolution N-body+SPH galaxy simulation to predict the appearance of the simulated galaxy at a set of wavelengths from the UV to the sub-mm. We analyse the results to determine the effect of dust on the observed radial and vertical profiles of the stellar emission as well as on the attenuation and scattering of light from the constituent stellar populations. We also quantify the proportion of dust re-radiated stellar light powered by young and old stellar populations, both bolometrically and as a function of infrared wavelength.

  8. Infinite-mode squeezed coherent states and non-equilibrium statistical mechanics (phase-space-picture approach)

    NASA Technical Reports Server (NTRS)

    Yeh, Leehwa

    1993-01-01

    The phase-space-picture approach to quantum non-equilibrium statistical mechanics via the characteristic function of infinite-mode squeezed coherent states is introduced. We use quantum Brownian motion as an example to show how this approach provides an interesting geometrical interpretation of quantum non-equilibrium phenomena.

  9. Very high power THz radiation sources

    SciTech Connect

    Carr, G.L.; Martin, Michael C.; McKinney, Wayne R.; Jordan, K.; Neil, George R.; Williams, G.P.

    2002-10-31

    We report the production of high power (20 watts average, {approx} 1 Megawatt peak) broadband THz light based on coherent emission from relativistic electrons. Such sources are ideal for imaging, for high power damage studies and for studies of non-linear phenomena in this spectral range. We describe the source, presenting theoretical calculations and their experimental verification. For clarity we compare this source to one based on ultrafast laser techniques.

  10. Very High Power THz Radiation Sources

    SciTech Connect

    G.L. Carr; Michael C. Martin; Wayne R. McKinney; Kevin Jordan; George R. Neil; Gwyn P. Williams

    2002-10-01

    We report the production of high power (20 watts average, {approx}1 Megawatt peak) broadband THz light based on coherent emission from relativistic electrons. Such sources are ideal for imaging, for high power damage studies and for studies of non-linear phenomena in this spectral range. We describe the source, presenting theoretical calculations and their experimental verification. For clarity, we compare this sources with one based on ultrafast laser techniques.

  11. Stability of high-brilliance synchrotron radiation sources

    SciTech Connect

    Chattopadhyay, S.

    1989-12-01

    This paper discusses the following topics: characteristics of synchrotron radiation sources; stability of the orbits; orbit control; nonlinear dynamic stability; and coherent stability and control. 1 ref., 5 figs., 1 tab. (LSP)

  12. EVALUATION OF SIGNIFICANT ANTHROPOGENIC SOURCES OF RADIATIVELY IMPORTANT TRACE GASES

    EPA Science Inventory

    The report is an initial evaluation of significant anthropogenic sources of radiatively important trace gases. missions of greenhouse gases from human activities--including fossil fuel combustion, industrial/agricultural activities, and transportation--contribute to the increasin...

  13. The molecular photo-cell: quantum transport and energy conversion at strong non-equilibrium.

    PubMed

    Ajisaka, Shigeru; Žunkovič, Bojan; Dubi, Yonatan

    2015-02-09

    The molecular photo-cell is a single molecular donor-acceptor complex attached to electrodes and subject to external illumination. Besides the obvious relevance to molecular photo-voltaics, the molecular photo-cell is of interest being a paradigmatic example for a system that inherently operates in out-of-equilibrium conditions and typically far from the linear response regime. Moreover, this system includes electrons, phonons and photons, and environments which induce coherent and incoherent processes, making it a challenging system to address theoretically. Here, using an open quantum systems approach, we analyze the non-equilibrium transport properties and energy conversion performance of a molecular photo-cell, including both coherent and incoherent processes and treating electrons, photons, and phonons on an equal footing. We find that both the non-equilibrium conditions and decoherence play a crucial role in determining the performance of the photovoltaic conversion and the optimal energy configuration of the molecular system.

  14. Numerical investigation of non-equilibrium effects in hypersonic turbulent boundary layers

    NASA Astrophysics Data System (ADS)

    Kim, Pilbum; Kim, John; Zhong, Xiaolin; Eldredge, Jeff

    2014-11-01

    Direct numerical simulations of a spatially developing hypersonic boundary layer have been conducted in order to investigate thermal and chemical non-equilibrium effects in a hypersonic turbulent boundary layer. Two different flows, pure oxygen and pure nitrogen flows with specific total enthalpy, h0 ,O2 = 9 . 5017 MJ/kg and h0 ,N2 = 19 . 1116 MJ/kg, respectively, have been considered. The boundary edge conditions were obtained from a separate calculation of a flow over a blunt wedge at free-stream Mach numbers M∞ ,O2 = 15 and M∞ ,N2 = 20 . The inflow conditions were obtained from a simulation of a turbulent boundary layer of a perfect gas. Non-equilibrium effects on turbulence statistics and near-wall turbulence structures were examined by comparing with those obtained in a simulation of the same boundary layer with a perfect-gas assumption.

  15. Development of a non-equilibrium quantum transport calculation method based on constrained density functional

    NASA Astrophysics Data System (ADS)

    Kim, Han Seul; Kim, Yong-Hoon

    2015-03-01

    We report on the development of a novel first-principles method for the calculation of non-equilibrium quantum transport process. Within the scheme, non-equilibrium situation and quantum transport within the open-boundary condition are described by the region-dependent Δ self-consistent field method and matrix Green's function theory, respectively. We will discuss our solutions to the technical difficulties in describing bias-dependent electron transport at complicated nanointerfaces and present several application examples. Global Frontier Program (2013M3A6B1078881), Basic Science Research Grant (2012R1A1A2044793), EDISON Program (No. 2012M3C1A6035684), and 2013 Global Ph.D fellowship program of the National Research Foundation. KISTI Supercomputing Center (KSC-2014-C3-021).

  16. Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

    SciTech Connect

    Ma, Wen; Yildiz, Bilge; Herbert, F. William; Senanayake, Sanjaya D.

    2015-03-09

    The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr{sup 1+}, Zr{sup 2+}, and Zr{sup 3+} as non-equilibrium oxidation states, in addition to Zr{sup 4+} in the stoichiometric ZrO{sub 2}. This finding resolves the long-debated question of whether it is possible to form any valence states between Zr{sup 0} and Zr{sup 4+} at the metal-oxide interface. The presence of local strong electric fields and the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr.

  17. Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

    DOE PAGES

    Ma, Wen; Senanayake, Sanjaya D.; Herbert, F. William; ...

    2015-03-11

    The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr1+, Zr2+, and Zr3+ as non-equilibrium oxidation states, in addition to Zr4+ in the stoichiometric ZrO2. This finding resolves the long-debated question of whether it is possible to form any valence states between Zr0 and Zr4+ at the metal-oxide interface. As a result, the presence of local strong electric fields andmore » the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr.« less

  18. Fast Scanning Calorimetry study of non-equilibrium relaxation in fragile organic liquids

    NASA Astrophysics Data System (ADS)

    Sadtchenko, Vlad; Bhattacharya, Deepanjan; O'Reilly, Liam

    2013-03-01

    Fast scanning calorimetry (FSC), capable of heating rates in excess of 1000000 K/s, was combined with vapor deposition technique to investigate non-equilibrium relaxation in micrometer thick viscous liquid films of several organic compounds (e.g.2-ethyl-1-hexanol, Toluene, and 1-propanol) under high vacuum conditions. Rapid heating of samples, vapor deposited at temperatures above their standard glass softening transition (Tg), resulted in observable endotherms which onset temperatures were strongly dependent on heating rate and the deposition temperature. Furthermore, all of the studied compounds were characterized by distinct critical deposition temperatures at which observation of endotherm became impossible. Based on the results of these studies, we have developed a simple model which makes it possible to infer the equilibrium enthalpy relaxation times for liquids from FSC data. We will discuss implications of these studies for contemporary models of non-equilibrium relaxation in glasses and supercooled liquids. Supported by NSF Grant 1012692.

  19. Non-equilibrium behaviour in coacervate-based protocells under electric-field-induced excitation

    PubMed Central

    Yin, Yudan; Niu, Lin; Zhu, Xiaocui; Zhao, Meiping; Zhang, Zexin; Mann, Stephen; Liang, Dehai

    2016-01-01

    Although numerous strategies are now available to generate rudimentary forms of synthetic cell-like entities, minimal progress has been made in the sustained excitation of artificial protocells under non-equilibrium conditions. Here we demonstrate that the electric field energization of coacervate microdroplets comprising polylysine and short single strands of DNA generates membrane-free protocells with complex, dynamical behaviours. By confining the droplets within a microfluidic channel and applying a range of electric field strengths, we produce protocells that exhibit repetitive cycles of vacuolarization, dynamical fluctuations in size and shape, chaotic growth and fusion, spontaneous ejection and sequestration of matter, directional capture of solute molecules, and pulsed enhancement of enzyme cascade reactions. Our results highlight new opportunities for the study of non-equilibrium phenomena in synthetic protocells, provide a strategy for inducing complex behaviour in electrostatically assembled soft matter microsystems and illustrate how dynamical properties can be activated and sustained in microcompartmentalized media. PMID:26876162

  20. Non-equilibrium behaviour in coacervate-based protocells under electric-field-induced excitation

    NASA Astrophysics Data System (ADS)

    Yin, Yudan; Niu, Lin; Zhu, Xiaocui; Zhao, Meiping; Zhang, Zexin; Mann, Stephen; Liang, Dehai

    2016-02-01

    Although numerous strategies are now available to generate rudimentary forms of synthetic cell-like entities, minimal progress has been made in the sustained excitation of artificial protocells under non-equilibrium conditions. Here we demonstrate that the electric field energization of coacervate microdroplets comprising polylysine and short single strands of DNA generates membrane-free protocells with complex, dynamical behaviours. By confining the droplets within a microfluidic channel and applying a range of electric field strengths, we produce protocells that exhibit repetitive cycles of vacuolarization, dynamical fluctuations in size and shape, chaotic growth and fusion, spontaneous ejection and sequestration of matter, directional capture of solute molecules, and pulsed enhancement of enzyme cascade reactions. Our results highlight new opportunities for the study of non-equilibrium phenomena in synthetic protocells, provide a strategy for inducing complex behaviour in electrostatically assembled soft matter microsystems and illustrate how dynamical properties can be activated and sustained in microcompartmentalized media.

  1. From tunneling to contact in a magnetic atom: The non-equilibrium Kondo effect

    NASA Astrophysics Data System (ADS)

    Choi, Deung-Jang; Abufager, Paula; Limot, Laurent; Lorente, Nicolás

    2017-03-01

    A low-temperature scanning tunneling microscope was employed to study the differential conductance in an atomic junction formed by an adsorbed Co atom on a Cu(100) surface and a copper-covered tip. A zero-bias anomaly (ZBA) reveals spin scattering off the Co atom, which is assigned to a Kondo effect. The ZBA exhibits a characteristic asymmetric lineshape when electrons tunnel between tip and sample, while upon the tip-Co contact it symmetrizes and broadens. Through density functional theory calculations and the non-equilibrium non-crossing approximation, we show that the lineshape broadening is mainly a consequence of the additional coupling to the tip, while non-equilibrium effects only modify the large-bias tails of the ZBA.

  2. The Molecular Photo-Cell: Quantum Transport and Energy Conversion at Strong Non-Equilibrium

    PubMed Central

    Ajisaka, Shigeru; Žunkovič, Bojan; Dubi, Yonatan

    2015-01-01

    The molecular photo-cell is a single molecular donor-acceptor complex attached to electrodes and subject to external illumination. Besides the obvious relevance to molecular photo-voltaics, the molecular photo-cell is of interest being a paradigmatic example for a system that inherently operates in out-of-equilibrium conditions and typically far from the linear response regime. Moreover, this system includes electrons, phonons and photons, and environments which induce coherent and incoherent processes, making it a challenging system to address theoretically. Here, using an open quantum systems approach, we analyze the non-equilibrium transport properties and energy conversion performance of a molecular photo-cell, including both coherent and incoherent processes and treating electrons, photons, and phonons on an equal footing. We find that both the non-equilibrium conditions and decoherence play a crucial role in determining the performance of the photovoltaic conversion and the optimal energy configuration of the molecular system. PMID:25660494

  3. Non-equilibrium universality in the dynamics of dissipative cold atomic gases

    NASA Astrophysics Data System (ADS)

    Marcuzzi, M.; Levi, E.; Li, W.; Garrahan, J. P.; Olmos, B.; Lesanovsky, I.

    2015-07-01

    The theory of continuous phase transitions predicts the universal collective properties of a physical system near a critical point, which for instance manifest in characteristic power-law behaviours of physical observables. The well-established concept at or near equilibrium, universality, can also characterize the physics of systems out of equilibrium. The most fundamental instance of a genuine non-equilibrium phase transition is the directed percolation (DP) universality class, where a system switches from an absorbing inactive to a fluctuating active phase. Despite being known for several decades it has been challenging to find experimental systems that manifest this transition. Here we show theoretically that signatures of the DP universality class can be observed in an atomic system with long-range interactions. Moreover, we demonstrate that even mesoscopic ensembles—which are currently studied experimentally—are sufficient to observe traces of this non-equilibrium phase transition in one, two and three dimensions.

  4. Very High Power THz Radiation Sources.

    PubMed

    Carr, G L; Martin, M C; McKinney, W R; Jordan, K; Neil, G R; Williams, G P

    2003-06-01

    We report the production of high power (20watts average, ∼ 1 Megawatt peak) broadbandTHz light based on coherent emission fromrelativistic electrons. Such sources areideal for imaging, for high power damagestudies and for studies of non-linearphenomena in this spectral range. Wedescribe the source, presenting theoreticalcalculations and their experimentalverification. For clarity we compare thissource with one based on ultrafast lasertechniques.

  5. A Tightly Coupled Non-Equilibrium Magneto-Hydrodynamic Model for Inductively Coupled RF Plasmas

    DTIC Science & Technology

    2016-02-29

    for public release; distribution unlimited 13. SUPPLEMENTARY NOTES Journal article published in the Journal of Applied Physics , Vol. #118, Issue #13...effects are described based on a hybrid State-to-State (StS) approach. A multi- temperature formulation is used to account for thermal non-equilibrium...allowing for non-Boltzmann distributions of their populations. Free-electrons are assumed Maxwellian at their own temperature . The governing equations

  6. Invariance of specific mass increment in the case of non-equilibrium growth

    NASA Astrophysics Data System (ADS)

    Martyushev, L. M.; Sergeev, A. P.; Terentiev, P. S.

    2015-09-01

    The invariance of specific mass increments of crystalline structures that co-exist in the case of non-equilibrium growth is grounded for the first time by using the maximum entropy production principle. Based on the hypothesis of the existence of a universal growth equation, and through the dimensional analysis, an explicit form of the time-dependent specific mass increment is proposed. The applicability of the obtained results for describing growth in animate nature is discussed.

  7. Kinetic Effects of Non-Equilibrium Plasma on Partially Premixed Flame Extinction

    DTIC Science & Technology

    2011-01-01

    dissociative attachment processes. The Boltzmann equation calculates the rate coefficients of the electron impact elementary reactions by averaging the...ion-ion neutralization processes, ion-molecule reactions, and electron attachment and detachment processes. Note that the present model does not solve...partially premixed methane flames was studied at 60 Torr by blending 2% CH4 into the oxidizer stream. The non-equilibrium discharge accelerated

  8. AC Power Consumption of Single-Walled Carbon Nanotube Interconnects: Non-Equilibrium Green's Function Simulation

    NASA Astrophysics Data System (ADS)

    Yamamoto, Takahiro; Sasaoka, Kenji; Watanabe, Satoshi

    2012-04-01

    We theoretically investigate the emittance and dynamic dissipation of a nanoscale interconnect consisting of a metallic single-walled carbon nanotube using the non-equilibrium Green's function technique for AC electronic transport. We show that the emittance and dynamic dissipation depend strongly on the contact conditions of the interconnect and that the power consumption can be reduced by adjusting the contact conditions. We propose an appropriate condition of contact that yields a high power factor and low apparent power.

  9. Search for a non-equilibrium plasma in the merging galaxy cluster Abell 754

    NASA Astrophysics Data System (ADS)

    Inoue, Shota; Hayashida, Kiyoshi; Ueda, Shutaro; Nagino, Ryo; Tsunemi, Hiroshi; Koyama, Katsuji

    2016-06-01

    Abell 754 is a galaxy cluster in which an ongoing merger is evident on the plane of the sky, from the southeast to the northwest. We study the spatial variation of the X-ray spectra observed with Suzaku along the merging direction, centering on the Fe Ly α/Fe He α line ratio to search for possible deviation from ionization equilibrium. Fitting with a single-temperature collisional non-equilibrium plasma model shows that the electron temperature increases from the southeast to the northwest. The ionization parameter is consistent with that in equilibrium (net > 1013 s cm-3) except for the specific region with the highest temperature (kT=13.3_{-1.1}^{+1.4}keV) where n_et=10^{11.6_{-1.7}^{+0.6}}s cm-3. The elapsed time from the plasma heating estimated from the ionization parameter is 0.36-76 Myr at the 90% confidence level. This timescale is quite short but consistent with the traveling time of a shock to pass through that region. We thus interpret that the non-equilibrium ionization plasma in Abell 754 observed is a remnant of the shock heating in the merger process. However, we note that the X-ray spectrum of the specific region where the non-equilibrium is found can also be fitted with a collisional ionization plasma model with two temperatures, low kT=4.2^{+4.2}_{-1.5}keV and very high kT >19.3 keV. The very high temperature component is alternatively fitted with a power-law model. Either of these spectral models is interpreted as a consequence of the ongoing merger process as in the case of the non-equilibrium ionization plasma.

  10. Equilibrium and Non-Equilibrium Condensation Phenomena in Tuneable 3D and 2D Bose Gases

    DTIC Science & Technology

    2016-04-01

    equilibrium and non-equilibrium many-body phenomena, trapping ultracold atomic gases in different geometries including both 3 and 2 spatial dimensions...box trap we created the world’s first atomic BEC in a quasi-uniform potential. 15. SUBJECT TERMS EOARD, Bose gas, ultracold, condensation, equilibrium... atom trap, Bose-Einstein condensate 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT SAR 18. NUMBER OF PAGES 3 19a. NAME OF RESPONSIBLE

  11. The non-equilibrium allele frequency spectrum in a Poisson random field framework.

    PubMed

    Kaj, Ingemar; Mugal, Carina F

    2016-10-01

    In population genetic studies, the allele frequency spectrum (AFS) efficiently summarizes genome-wide polymorphism data and shapes a variety of allele frequency-based summary statistics. While existing theory typically features equilibrium conditions, emerging methodology requires an analytical understanding of the build-up of the allele frequencies over time. In this work, we use the framework of Poisson random fields to derive new representations of the non-equilibrium AFS for the case of a Wright-Fisher population model with selection. In our approach, the AFS is a scaling-limit of the expectation of a Poisson stochastic integral and the representation of the non-equilibrium AFS arises in terms of a fixation time probability distribution. The known duality between the Wright-Fisher diffusion process and a birth and death process generalizing Kingman's coalescent yields an additional representation. The results carry over to the setting of a random sample drawn from the population and provide the non-equilibrium behavior of sample statistics. Our findings are consistent with and extend a previous approach where the non-equilibrium AFS solves a partial differential forward equation with a non-traditional boundary condition. Moreover, we provide a bridge to previous coalescent-based work, and hence tie several frameworks together. Since frequency-based summary statistics are widely used in population genetics, for example, to identify candidate loci of adaptive evolution, to infer the demographic history of a population, or to improve our understanding of the underlying mechanics of speciation events, the presented results are potentially useful for a broad range of topics.

  12. Direct-Numerical and Large-Eddy Simulations of a Non-Equilibrium Turbulent Kolmogorov Flow

    NASA Technical Reports Server (NTRS)

    Woodruff, S. L.; Shebalin, J. V.; Hussaini, M. Y.

    1999-01-01

    A non-equilibrium form of turbulent Kolmogorov flow is set up by making an instantaneous change in the amplitude of the spatially-periodic forcing. It is found that the response of the flow to this instantaneous change becomes more dramatic as the wavenumber of the forcing is increased, and, at the same time, that the faithfulness with which the large-eddy-simulation results agree with the direct-numerical results decreases.

  13. Radiation Source Mapping with Bayesian Inverse Methods

    NASA Astrophysics Data System (ADS)

    Hykes, Joshua Michael

    We present a method to map the spectral and spatial distributions of radioactive sources using a small number of detectors. Locating and identifying radioactive materials is important for border monitoring, accounting for special nuclear material in processing facilities, and in clean-up operations. Most methods to analyze these problems make restrictive assumptions about the distribution of the source. In contrast, the source-mapping method presented here allows an arbitrary three-dimensional distribution in space and a flexible group and gamma peak distribution in energy. To apply the method, the system's geometry and materials must be known. A probabilistic Bayesian approach is used to solve the resulting inverse problem (IP) since the system of equations is ill-posed. The probabilistic approach also provides estimates of the confidence in the final source map prediction. A set of adjoint flux, discrete ordinates solutions, obtained in this work by the Denovo code, are required to efficiently compute detector responses from a candidate source distribution. These adjoint fluxes are then used to form the linear model to map the state space to the response space. The test for the method is simultaneously locating a set of 137Cs and 60Co gamma sources in an empty room. This test problem is solved using synthetic measurements generated by a Monte Carlo (MCNP) model and using experimental measurements that we collected for this purpose. With the synthetic data, the predicted source distributions identified the locations of the sources to within tens of centimeters, in a room with an approximately four-by-four meter floor plan. Most of the predicted source intensities were within a factor of ten of their true value. The chi-square value of the predicted source was within a factor of five from the expected value based on the number of measurements employed. With a favorable uniform initial guess, the predicted source map was nearly identical to the true distribution

  14. Dynamical Detailed Balance and Local Kms Condition for Non-Equilibrium States

    NASA Astrophysics Data System (ADS)

    Accardi, Luigi; Imafuku, Kentaro

    The principle of detailed balance is at the basis of equilibrium physics and is equivalent to the Kubo-Martin-Schwinger (KMS) condition (under quite general assumptions). In the present paper we prove that a large class of non-equilibrium quantum systems satisfies a dynamical generalization of the detailed balance condition (dynamical detailed balance) expressing the fact that all the micro-currents, associated to the Bohr frequencies are constant. The usual (equilibrium) detailed balance condition is characterized by the property that this constant is identically zero. From this we deduce a simple and experimentally measurable relation expressing the microcurrent associated to a transition between two levels ɛm→ɛn as a linear combination of the occupation probabilities of the two levels, with coefficients given by the generalized susceptivities (transport coefficients). We then give a second characterization of the dynamical detailed balance condition using a master equation rather than the microcurrents. Finally we show that these two conditions are equivalent to a "local" generalization of the usual KMS condition. Summing up: rather than postulating some ansatz on the basis of phenomenological models or of numerical simulations, we deduce, directly in the quantum domain and from fundamental principles, some natural and simple non equilibrium generalizations of the three main characterizations of equilibrium states. Then we prove that these three, apparently very far, conditions are equivalent. These facts support our convinction that these three equivalent conditions capture a universal aspect of non equilibrium phenomena.

  15. Spontaneous Raman Scattering Measurements of Vibrational Non-Equilibrium in High-Speed Jets

    NASA Astrophysics Data System (ADS)

    Reising, Heath; Haller, Timothy; Clemens, Noel; Varghese, Philip

    2016-11-01

    Vibrational non-equilibrium is detected and quantified in a high-speed jet using spontaneous Raman scattering. The non-equilibrium is induced by rapid mixing of the different temperature streams of the jet and coflow which are approximately 500 K and 1000 K, respectively. Simultaneous measurements of vibrational and rotational temperatures are made using fits of time-averaged high-resolution Stokes spectra of both N2 and O2 to high fidelity models of the spectrum. Independent measurements of these two species temperatures show good agreement in rotational temperature while the vibrational temperatures show only N2 to have a strong non-equilibrium. This suggests that vibrational energy transfer between these two molecules is very inefficient at these conditions. Work is being conducted to extend the technique to single-shot measurements by employing a multiple-pass cell to increase the incident laser fluence in the measurement volume. This new capability will allow for statistics of vibrational temperature to be quantified. The instantaneous nature of the measurements will also allow the technique to be applied in regions of large temperature fluctuations, such as the base of a lifted turbulent jet flame, where time-average measurements are not valid. This work was supported by funding from the Air Force Office of Scientific Research.

  16. Second law considerations on the third law: From Boltzmann and Loschmidt paradox to non equilibrium temperature

    NASA Astrophysics Data System (ADS)

    Lucia, Umberto

    2016-02-01

    The balance of forces and processes between the system and the environment and the processes inside the system are the result of the flows of the quanta. Moreover, the transition between two thermodynamic states is the consequence of absorption or emission of quanta, but, during the transition, the entropy variation due to the irreversibility occurs and it breaks any symmetry of time. Consequently, the irreversibility is the result of a transition, a process, an interaction between the system and its environment. This interaction results completely time-irreversible for any real process because of irreversibility. As a consequence, a proof of the third law is obtained proving that the zero temperature state can be achieved only for an infinite work lost for dissipation or in an infinite time. The fundamental role of time both in equilibrium and in non equilibrium analysis is pointed out. Moreover, the non equilibrium temperature is related to the entropy generation and its fluctuation rate; indeed, non-stationary temperature means that the system has not yet attained free energy minimum state, i.e., the maximum entropy state; the consequence is that the zero temperature state can be achieved only for an infinite work lost for dissipation or in an infinite time. In engineering thermodynamics the efficiency is always obtained without any consideration on time, while, here, just the time is introduced as a fundamental quantity of the analysis of non equilibrium states.

  17. Space charge corrected electron emission from an aluminum surface under non-equilibrium conditions

    SciTech Connect

    Wendelen, W.; Bogaerts, A.; Mueller, B. Y.; Rethfeld, B.; Autrique, D.

    2012-06-01

    A theoretical study has been conducted of ultrashort pulsed laser induced electron emission from an aluminum surface. Electron emission fluxes retrieved from the commonly employed Fowler-DuBridge theory were compared to fluxes based on a laser-induced non-equilibrium electron distribution. As a result, the two- and three-photon photoelectron emission parameters for the Fowler-DuBridge theory have been approximated. We observe that at regimes where photoemission is important, laser-induced electron emission evolves in a more smooth manner than predicted by the Fowler-DuBridge theory. The importance of the actual electron distribution decreases at higher laser fluences, whereas the contribution of thermionic emission increases. Furthermore, the influence of a space charge effect on electron emission was evaluated by a one dimensional particle-in-cell model. Depending on the fluences, the space charge reduces the electron emission by several orders of magnitude. The influence of the electron emission flux profiles on the effective electron emission was found to be negligible. However, a non-equilibrium electron velocity distribution increases the effective electron emission significantly. Our results show that it is essential to consider the non-equilibrium electron distribution as well as the space charge effect for the description of laser-induced photoemission.

  18. A numerical model of non-equilibrium thermal plasmas. II. Governing equations

    SciTech Connect

    Li HePing; Zhang XiaoNing; Xia Weidong

    2013-03-15

    Governing equations and the corresponding physical properties of the plasmas are both prerequisites for studying the fundamental processes in a non-equilibrium thermal plasma system numerically. In this paper, a kinetic derivation of the governing equations used for describing the complicated thermo-electro-magneto-hydrodynamic-chemical coupling effects in non-equilibrium thermal plasmas is presented. This derivation, which is achieved using the Chapman-Enskog method, is completely consistent with the theory of the transport properties reported in the previous paper by the same authors. It is shown, based on this self-consistent theory, that the definitions of the specific heat at constant pressure and the reactive thermal conductivity of two-temperature plasmas are not necessary. The governing equations can be reduced to their counterparts under local thermodynamic equilibrium (LTE) and local chemical equilibrium (LCE) conditions. The general method for the determination of the boundary conditions of the solved variables is also discussed briefly. The two papers establish a self-consistent physical-mathematical model that describes the complicated physical and chemical processes in a thermal plasma system for the cases both in LTE or LCE conditions and under non-equilibrium conditions.

  19. The efficiency of driving chemical reactions by a physical non-equilibrium is kinetically controlled.

    PubMed

    Göppel, Tobias; Palyulin, Vladimir V; Gerland, Ulrich

    2016-07-27

    An out-of-equilibrium physical environment can drive chemical reactions into thermodynamically unfavorable regimes. Under prebiotic conditions such a coupling between physical and chemical non-equilibria may have enabled the spontaneous emergence of primitive evolutionary processes. Here, we study the coupling efficiency within a theoretical model that is inspired by recent laboratory experiments, but focuses on generic effects arising whenever reactant and product molecules have different transport coefficients in a flow-through system. In our model, the physical non-equilibrium is represented by a drift-diffusion process, which is a valid coarse-grained description for the interplay between thermophoresis and convection, as well as for many other molecular transport processes. As a simple chemical reaction, we consider a reversible dimerization process, which is coupled to the transport process by different drift velocities for monomers and dimers. Within this minimal model, the coupling efficiency between the non-equilibrium transport process and the chemical reaction can be analyzed in all parameter regimes. The analysis shows that the efficiency depends strongly on the Damköhler number, a parameter that measures the relative timescales associated with the transport and reaction kinetics. Our model and results will be useful for a better understanding of the conditions for which non-equilibrium environments can provide a significant driving force for chemical reactions in a prebiotic setting.

  20. Direct measurement of DNA bending by type IIA topoisomerases: implications for non-equilibrium topology simplification

    PubMed Central

    Hardin, Ashley H.; Sarkar, Susanta K.; Seol, Yeonee; Liou, Grace F.; Osheroff, Neil; Neuman, Keir C.

    2011-01-01

    Type IIA topoisomerases modify DNA topology by passing one segment of duplex DNA (transfer or T–segment) through a transient double-strand break in a second segment of DNA (gate or G–segment) in an ATP-dependent reaction. Type IIA topoisomerases decatenate, unknot and relax supercoiled DNA to levels below equilibrium, resulting in global topology simplification. The mechanism underlying this non-equilibrium topology simplification remains speculative. The bend angle model postulates that non-equilibrium topology simplification scales with the bend angle imposed on the G–segment DNA by the binding of a type IIA topoisomerase. To test this bend angle model, we used atomic force microscopy and single-molecule Förster resonance energy transfer to measure the extent of bending imposed on DNA by three type IIA topoisomerases that span the range of topology simplification activity. We found that Escherichia coli topoisomerase IV, yeast topoisomerase II and human topoisomerase IIα each bend DNA to a similar degree. These data suggest that DNA bending is not the sole determinant of non-equilibrium topology simplification. Rather, they suggest a fundamental and conserved role for DNA bending in the enzymatic cycle of type IIA topoisomerases. PMID:21421557

  1. Dynamic scaling for the growth of non-equilibrium fluctuations during thermophoretic diffusion in microgravity

    PubMed Central

    Cerbino, Roberto; Sun, Yifei; Donev, Aleksandar; Vailati, Alberto

    2015-01-01

    Diffusion processes are widespread in biological and chemical systems, where they play a fundamental role in the exchange of substances at the cellular level and in determining the rate of chemical reactions. Recently, the classical picture that portrays diffusion as random uncorrelated motion of molecules has been revised, when it was shown that giant non-equilibrium fluctuations develop during diffusion processes. Under microgravity conditions and at steady-state, non-equilibrium fluctuations exhibit scale invariance and their size is only limited by the boundaries of the system. In this work, we investigate the onset of non-equilibrium concentration fluctuations induced by thermophoretic diffusion in microgravity, a regime not accessible to analytical calculations but of great relevance for the understanding of several natural and technological processes. A combination of state of the art simulations and experiments allows us to attain a fully quantitative description of the development of fluctuations during transient diffusion in microgravity. Both experiments and simulations show that during the onset the fluctuations exhibit scale invariance at large wave vectors. In a broader range of wave vectors simulations predict a spinodal-like growth of fluctuations, where the amplitude and length-scale of the dominant mode are determined by the thickness of the diffuse layer. PMID:26419420

  2. An Initial Non-Equilibrium Porous-Media Model for CFD Simulation of Stirling Regenerators

    NASA Technical Reports Server (NTRS)

    Tew, Roy C.; Simon, Terry; Gedeon, David; Ibrahim, Mounir; Rong, Wei

    2006-01-01

    The objective of this paper is to define empirical parameters for an initial thermal non-equilibrium porous-media model for use in Computational Fluid Dynamics (CFD) codes for simulation of Stirling regenerators. The two codes currently used at Glenn Research Center for Stirling modeling are Fluent and CFD-ACE. The codes porous-media models are equilibrium models, which assume solid matrix and fluid are in thermal equilibrium. This is believed to be a poor assumption for Stirling regenerators; Stirling 1-D regenerator models, used in Stirling design, use non-equilibrium regenerator models and suggest regenerator matrix and gas average temperatures can differ by several degrees at a given axial location and time during the cycle. Experimentally based information was used to define: hydrodynamic dispersion, permeability, inertial coefficient, fluid effective thermal conductivity, and fluid-solid heat transfer coefficient. Solid effective thermal conductivity was also estimated. Determination of model parameters was based on planned use in a CFD model of Infinia's Stirling Technology Demonstration Converter (TDC), which uses a random-fiber regenerator matrix. Emphasis is on use of available data to define empirical parameters needed in a thermal non-equilibrium porous media model for Stirling regenerator simulation. Such a model has not yet been implemented by the authors or their associates.

  3. Dynamic scaling for the growth of non-equilibrium fluctuations during thermophoretic diffusion in microgravity

    NASA Astrophysics Data System (ADS)

    Cerbino, Roberto; Sun, Yifei; Donev, Aleksandar; Vailati, Alberto

    2015-09-01

    Diffusion processes are widespread in biological and chemical systems, where they play a fundamental role in the exchange of substances at the cellular level and in determining the rate of chemical reactions. Recently, the classical picture that portrays diffusion as random uncorrelated motion of molecules has been revised, when it was shown that giant non-equilibrium fluctuations develop during diffusion processes. Under microgravity conditions and at steady-state, non-equilibrium fluctuations exhibit scale invariance and their size is only limited by the boundaries of the system. In this work, we investigate the onset of non-equilibrium concentration fluctuations induced by thermophoretic diffusion in microgravity, a regime not accessible to analytical calculations but of great relevance for the understanding of several natural and technological processes. A combination of state of the art simulations and experiments allows us to attain a fully quantitative description of the development of fluctuations during transient diffusion in microgravity. Both experiments and simulations show that during the onset the fluctuations exhibit scale invariance at large wave vectors. In a broader range of wave vectors simulations predict a spinodal-like growth of fluctuations, where the amplitude and length-scale of the dominant mode are determined by the thickness of the diffuse layer.

  4. Dynamic scaling for the growth of non-equilibrium fluctuations during thermophoretic diffusion in microgravity.

    PubMed

    Cerbino, Roberto; Sun, Yifei; Donev, Aleksandar; Vailati, Alberto

    2015-09-30

    Diffusion processes are widespread in biological and chemical systems, where they play a fundamental role in the exchange of substances at the cellular level and in determining the rate of chemical reactions. Recently, the classical picture that portrays diffusion as random uncorrelated motion of molecules has been revised, when it was shown that giant non-equilibrium fluctuations develop during diffusion processes. Under microgravity conditions and at steady-state, non-equilibrium fluctuations exhibit scale invariance and their size is only limited by the boundaries of the system. In this work, we investigate the onset of non-equilibrium concentration fluctuations induced by thermophoretic diffusion in microgravity, a regime not accessible to analytical calculations but of great relevance for the understanding of several natural and technological processes. A combination of state of the art simulations and experiments allows us to attain a fully quantitative description of the development of fluctuations during transient diffusion in microgravity. Both experiments and simulations show that during the onset the fluctuations exhibit scale invariance at large wave vectors. In a broader range of wave vectors simulations predict a spinodal-like growth of fluctuations, where the amplitude and length-scale of the dominant mode are determined by the thickness of the diffuse layer.

  5. Feed network and electromagnetic radiation source

    DOEpatents

    Ardavan, Arzhang; Singleton, John; Linehan, Kevin E.; Ardavan, Houshang; Schmidt-Zwiefel, Andrea Caroline

    2017-01-17

    An antenna may include a volume polarization current radiator and a feed network. The volume polarization current radiator, includes a dielectric solid (such as a dielectric strip), and a plurality of closely-spaced excitation elements (24), each excitation element (24) being configured to induce a volume polarization current distribution in the dielectric solid proximate to the excitation element when a voltage is applied to the excitation element. The feed network is coupled to the volume polarization current radiator. The feed network also includes a plurality of passive power divider elements (32) and a plurality of passive delay elements (d1-d6) coupling the first port (30) and the plurality of second ports (108, 109, 164), the plurality of power divider elements (32) and the plurality of phase delay elements (d1-d6) being configured such that a radio-frequency signal that is applied to the first port (30) experiences a progressive change of phase as it is coupled to the plurality of second ports (108, 109, 164) so as to cause the volume polarization current distribution to propagate along the dielectric solid.

  6. Elastic Wave Radiation from a Line Source of Finite Length

    SciTech Connect

    Aldridge, D.F.

    1998-11-04

    Straightforward algebraic expressions describing the elastic wavefield produced by a line source of finite length are derived in circular cylindrical coordinates. The surrounding elastic medium is assumed to be both homogeneous and isotropic, anc[ the source stress distribution is considered axisymmetic. The time- and space-domain formulae are accurate at all distances and directions from the source; no fa-field or long-wavelength assumptions are adopted for the derivation. The mathematics yield a unified treatment of three different types of sources: an axial torque, an axial force, and a radial pressure. The torque source radiates only azirnuthally polarized shear waves, whereas force and pressure sources generate simultaneous compressional and shear radiation polarized in planes containing the line source. The formulae reduce to more familiar expressions in the two limiting cases where the length of the line source approaches zero and infinity. Far-field approximations to the exact equations indicate that waves radiated parallel to the line source axI.s are attenuated relative to those radiated normal to the axis. The attenuation is more severe for higher I?equencies and for lower wavespeeds. Hence, shear waves are affected more than compressional waves. This fi-equency- and directiondependent attenuation is characterized by an extremely simple mathematical formula, and is readily apparent in example synthetic seismograms.

  7. Complexity Reduction of Collisional-Radiative Kinetics for Atomic Plasma

    DTIC Science & Technology

    2013-12-23

    or disclose the work. 14. ABSTRACT Thermal non- equilibrium processes in partially ionized plasmas can be most accurately modeled by collisional...prohibitively large, making multidimensional and unsteady simulations of non- equilibrium radiating plasma particularly challenging. In this paper, we...published online 23 December 2013) Thermal non- equilibrium processes in partially ionized plasmas can be most accurately modeled by collisional

  8. A millimeter wavelength radiation source using a dual grating resonator

    SciTech Connect

    Killoran, J.H.; Hacker, F.L.; Walsh, J.E. . Dept. of Physics)

    1994-10-01

    A novel means of producing coherent radiation by passing an electron through a dual-grating resonator is presented. The observed radiation is in accordance with the Smith-Purcell dispersion relation for a single grating. Feedback is provided by a second grating. Experiments carried out at beam energies from 30--55 KeV produced radiation at wavelengths from 6 to 0.75 mm. Power measurements were used to clarify the grating-beam interaction. Indications are that operation could be easily extended to shorter wavelengths to provide an inexpensive and compact radiation source in the far-infrared.

  9. The Radiation, Interplanetary Shocks, and Coronal Sources (RISCS) Toolset

    NASA Technical Reports Server (NTRS)

    Zank, G. P.; Spann, James F.

    2014-01-01

    The goal of this project is to serve the needs of space system designers and operators by developing an interplanetary radiation environment model within 10 AU:Radiation, Interplanetary Shocks, and Coronal Sources (RISCS) toolset: (1) The RISCS toolset will provide specific reference environments for space system designers and nowcasting and forecasting capabilities for space system operators; (2) We envision the RISCS toolset providing the spatial and temporal radiation environment external to the Earth's (and other planets') magnetosphere, as well as possessing the modularity to integrate separate applications (apps) that can map to specific magnetosphere locations and/or perform the subsequent radiation transport and dosimetry for a specific target.

  10. Radiation properties of Turkish light source facility TURKAY

    NASA Astrophysics Data System (ADS)

    Nergiz, Zafer

    2015-09-01

    The synchrotron light source TURKAY, which is one of the sub-project of Turkish Accelerator Center (TAC), has been supported by Ministry of Development of Turkey since 2006. The facility is designed to generate synchrotron radiation (SR) in range 0.01-60 keV from a 3 GeV storage ring with a beam emittance of 0.51 nm rad. Synchrotron radiation will be produced from the bending magnets and insertion devices in the storage ring. In this paper design studies for possible devices to produce synchrotron radiation and radiation properties of these devices with TURKAY storage ring parameters are presented.

  11. A fast Eulerian multiphase flow model for volcanic ash plumes: turbulence, heat transfer and particle non-equilibrium dynamics.

    NASA Astrophysics Data System (ADS)

    Cerminara, Matteo; Esposti Ongaro, Tomaso; Carlo Berselli, Luigi

    2014-05-01

    We have developed a compressible multiphase flow model to simulate the three-dimensional dynamics of turbulent volcanic ash plumes. The model describes the eruptive mixture as a polydisperse fluid, composed of different types of gases and particles, treated as interpenetrating Eulerian phases. Solid phases represent the discrete ash classes into which the total granulometric spectrum is discretized, and can differ by size and density. The model is designed to quickly and accurately resolve important physical phenomena in the dynamics of volcanic ash plumes. In particular, it can simulate turbulent mixing (driving atmospheric entrainment and controlling the heat transfer), thermal expansion (controlling the plume buoyancy), the interaction between solid particles and volcanic gas (including kinetic non-equilibrium effects) and the effects of compressibility (over-pressured eruptions and infrasonic measurements). The model is based on the turbulent dispersed multiphase flow theory for dilute flows (volume concentration <0.001, implying that averaged inter-particle distance is larger than 10 diameters) where particle collisions are neglected. Moreover, in order to speed up the code without losing accuracy, we make the hypothesis of fine particles (Stokes number <0.2 , i.e., volcanic ash particles finer then a millimeter), so that we are able to consider non-equilibrium effects only at the first order. We adopt LES formalism (which is preferable in transient regimes) for compressible flows to model the non-linear coupling between turbulent scales and the effect of sub-grid turbulence on the large-scale dynamics. A three-dimensional numerical code has been developed basing on the OpenFOAM computational framework, a CFD open source parallel software package. Numerical benchmarks demonstrate that the model is able to capture important non-equilibrium phenomena in gas-particle mixtures, such as particle clustering and ejection from large-eddy turbulent structures, as well

  12. Analysis of large amplitude shock profiles for non-equilibrium radiative hydrodynamics: formation of Zeldovich spikes

    NASA Astrophysics Data System (ADS)

    Coulombel, J.-F.; Goudon, T.; Lafitte, P.; Lin, C.

    2012-05-01

    We consider a model for the interaction of a gas with photons. In the article (Lin et al. Phys D 218:83-94, 2006), smooth traveling wave solutions called shock profiles have been constructed under a suitable smallness assumption between the asymptotic states. In this work, we construct piecewise smooth traveling wave solutions that connect two asymptotic states with a large jump. In particular, we give a rigorous mathematical justification to the formation of the so-called Zeldovich spike.

  13. Non-equilibrium radiation from viscous chemically reacting two-phase exhaust plumes

    NASA Technical Reports Server (NTRS)

    Penny, M. M.; Smith, S. D.; Mikatarian, R. R.; Ring, L. R.; Anderson, P. G.

    1976-01-01

    A knowledge of the structure of the rocket exhaust plumes is necessary to solve problems involving plume signatures, base heating, plume/surface interactions, etc. An algorithm is presented which treats the viscous flow of multiphase chemically reacting fluids in a two-dimensional or axisymmetric supersonic flow field. The gas-particle flow solution is fully coupled with the chemical kinetics calculated using an implicit scheme to calculate chemical production rates. Viscous effects include chemical species diffusion with the viscosity coefficient calculated using a two-equation turbulent kinetic energy model.

  14. Open Source Radiation Hardened by Design Technology

    NASA Technical Reports Server (NTRS)

    Shuler, Robert

    2016-01-01

    The proposed technology allows use of the latest microcircuit technology with lowest power and fastest speed, with minimal delay and engineering costs, through new Radiation Hardened by Design (RHBD) techniques that do not require extensive process characterization, technique evaluation and re-design at each Moore's Law generation. The separation of critical node groups is explicitly parameterized so it can be increased as microcircuit technologies shrink. The technology will be open access to radiation tolerant circuit vendors. INNOVATION: This technology would enhance computation intensive applications such as autonomy, robotics, advanced sensor and tracking processes, as well as low power applications such as wireless sensor networks. OUTCOME / RESULTS: 1) Simulation analysis indicates feasibility. 2)Compact voting latch 65 nanometer test chip designed and submitted for fabrication -7/2016. INFUSION FOR SPACE / EARTH: This technology may be used in any digital integrated circuit in which a high level of resistance to Single Event Upsets is desired, and has the greatest benefit outside low earth orbit where cosmic rays are numerous.

  15. Production of transplutonium elements and radiation sources based on them

    SciTech Connect

    Vasil`ev, V.Ya.; Adaev, V.A.; Gordeev, Ya.N.

    1993-12-31

    The Research Institute of Atomic Reactors (RIAR) has a complex experimental base for the required amount of transplutonium elements (TPE) production in reactors, their extraction from irradiated targets, preparing of necessary condition samples in purity and producing the radiation sources. Targets irradiation and target design are described. Californium 252 is used for neutron source production.

  16. Radicals and Non-Equilibrium Processes in Low-Temperature Plasmas

    NASA Astrophysics Data System (ADS)

    Petrović, Zoran; Mason, Nigel; Hamaguchi, Satoshi; Radmilović-Radjenović, Marija

    2007-06-01

    Serbian Academy of Sciences and Arts and Institute of Physics, Belgrade. Each Symposium has sought to highlight a key topic of plasma research and the 5th EU - Japan symposium explored the role of Radicals and Non-Equilibrium Processes in Low-Temperature Plasmas since these are key elements of plasma processing. Other aspects of technologies for manufacturing integrated circuits were also considered. Unlike bio-medicine and perhaps politics, in plasma processing free radicals are `good radicals' but their kinetics are difficult to understand since there remains little data on their collisions with electrons and ions. One of the goals of the symposium was to facilitate communication between experimentalists and theorists in binary collision physics with plasma modellers and practitioners of plasma processing in order to optimize efforts to provide much needed data for both molecules and radicals of practical importance. The non-equilibrium nature of plasmas is critical in the efficient manufacturing of high resolution structures by anisotropic plasma etching on Si wafers since they allow separate control of the directionality and energy of ions and provide a high level of separation between the mean energies of electrons and ions. As nanotechnologies become practical, plasma processing may play a key role, not only in manufacturing of integrated circuits, but also for self-organization of massively parallel manufacturing of nanostructures. In this Symposium the key issues that are hindering the development of such new, higher resolution technologies were discussed and some possible solutions were proposed. In particular, damage control, fast neutral etching, processes at surface and modeling of profiles were addressed in several of the lectures. A wide range of topics are covered in this book including atomic and molecular collision physics - primarily focused towards formation and analysis of radicals, basic swarm data and breakdown kinetics, basic kinetics of RF and DC

  17. Non-equilibrium thermodynamical description of rhythmic motion patterns of active systems: a canonical-dissipative approach.

    PubMed

    Dotov, D G; Kim, S; Frank, T D

    2015-02-01

    We derive explicit expressions for the non-equilibrium thermodynamical variables of a canonical-dissipative limit cycle oscillator describing rhythmic motion patterns of active systems. These variables are statistical entropy, non-equilibrium internal energy, and non-equilibrium free energy. In particular, the expression for the non-equilibrium free energy is derived as a function of a suitable control parameter. The control parameter determines the Hopf bifurcation point of the deterministic active system and describes the effective pumping of the oscillator. In analogy to the equilibrium free energy of the Landau theory, it is shown that the non-equilibrium free energy decays as a function of the control parameter. In doing so, a similarity between certain equilibrium and non-equilibrium phase transitions is pointed out. Data from an experiment on human rhythmic movements is presented. Estimates for pumping intensity as well as the thermodynamical variables are reported. It is shown that in the experiment the non-equilibrium free energy decayed when pumping intensity was increased, which is consistent with the theory. Moreover, pumping intensities close to zero could be observed at relatively slow intended rhythmic movements. In view of the Hopf bifurcation underlying the limit cycle oscillator model, this observation suggests that the intended limit cycle movements were actually more similar to trajectories of a randomly perturbed stable focus.

  18. Spontaneous Raman scattering as a high resolution XUV radiation source

    NASA Technical Reports Server (NTRS)

    Rothenberg, J. E.; Young, J. F.; Harris, S. E.

    1983-01-01

    A type of high resolution XUV radiation source is described which is based upon spontaneous anti-Stokes scattering of tunable incident laser radiation from atoms excited to metastable levels. The theory of the source is summarized and two sets of experiments using He (1s2s)(1)S atoms, produced in a cw hollow cathode and in a pulsed high power microwave discharge, are discussed. The radiation source is used to examine transitions originating from the 3p(6) shell of potassium. The observed features include four previously unreported absorption lines and several sharp interferences of closely spaced autoionizing lines. A source linewidth of about 1.9 cm(-1) at 185,000 cm(-1) is demonstrated.

  19. THE ABUNDANCE OF MOLECULAR HYDROGEN AND ITS CORRELATION WITH MIDPLANE PRESSURE IN GALAXIES: NON-EQUILIBRIUM, TURBULENT, CHEMICAL MODELS

    SciTech Connect

    Mac Low, Mordecai-Mark; Glover, Simon C. O. E-mail: glover@uni-heidelberg.de

    2012-02-20

    Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R{sub mol} and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H{sub 2} from cold atomic gas. The formation timescale for H{sub 2} is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H{sub 2} formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H{sub 2} formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H{sub 2}. The observed correlation of R{sub mol} with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R{sub mol} with density. If we examine the value of R{sub mol} in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.

  20. A Device for Search of Gamma-Radiation Intensive Sources at the Radiation Accident Condition

    SciTech Connect

    Batiy, Valeriy; Klyuchnykov, A; Kochnev, N; Rudko, Vladimir; shcherbin, vladimir; Yegorov, V; Schmieman, Eric A.

    2005-08-08

    The procedure designed for measuring angular distributions of gamma radiation and for search of gamma radiation intensive sources is described. It is based on application of the original multidetector device ShD-1, for measuring an angular distribution in a complete solid angle (4 pi). The calibration results and data on the angular distributions of intensity of gamma radiation at the roof of Chornobyl NPP ''Shelter'' are presented.

  1. Non-equilibrium Green's functions study of discrete dopants variability on an ultra-scaled FinFET

    SciTech Connect

    Valin, R. Martinez, A.; Barker, J. R.

    2015-04-28

    In this paper, we study the effect of random discrete dopants on the performance of a 6.6 nm channel length silicon FinFET. The discrete dopants have been distributed randomly in the source/drain region of the device. Due to the small dimensions of the FinFET, a quantum transport formalism based on the non-equilibrium Green's functions has been deployed. The transfer characteristics for several devices that differ in location and number of dopants have been calculated. Our results demonstrate that discrete dopants modify the effective channel length and the height of the source/drain barrier, consequently changing the channel control of the charge. This effect becomes more significant at high drain bias. As a consequence, there is a strong effect on the variability of the on-current, off-current, sub-threshold slope, and threshold voltage. Finally, we have also calculated the mean and standard deviation of these parameters to quantify their variability. The obtained results show that the variability at high drain bias is 1.75 larger than at low drain bias. However, the variability of the on-current, off-current, and sub-threshold slope remains independent of the drain bias. In addition, we have found that a large source to drain current by tunnelling current occurs at low gate bias.

  2. A capillary discharge plasma source of intense VUV radiation

    SciTech Connect

    Sobel'man, Igor I; Shevelko, A P; Yakushev, O F; Knight, L V; Turley, R S

    2003-01-31

    The results of investigation of a capillary discharge plasma, used as a source of intense VUV radiation and soft X-rays, are presented. The plasma was generated during the discharge of low-inductance condensers in a gas-filled ceramic capillary. Intense line radiation was observed in a broad spectral range (30-400 A) in various gases (CO{sub 2}, Ne, Ar, Kr, Xe). The absolute radiation yield for the xenon discharge was {approx}5 mJ (2{pi} sr){sup -1} pulse{sup -1} within a spectral band of width 9 A at 135 A. Such a radiation source can be used for various practical applications, such as EUV projection lithography, microscopy of biological objects in a 'water window', reflectometry, etc. (special issue devoted to the 80th anniversary of academician n g basov's birth)

  3. Response theory for non-equilibrium systems: theory and applications (Outstanding Young Scientist Lecture)

    NASA Astrophysics Data System (ADS)

    Lucarini, Valerio

    2010-05-01

    We consider the general response theory recently proposed by Ruelle for describing the impact of small perturbations to the non-equilibrium steady states resulting from Axiom A dynamical systems. We show that the causality of the response functions entails the possibility of writing a set of Kramers-Kronig (K-K) relations for the corresponding susceptibilities at all orders of nonlinearity, and specific results are provided for the case of arbitrary order harmonic response. These results shed light on the very general impact of considering the principle of causality for testing self-consistency: the described dispersion relations constitute unavoidable benchmarks that any experimental and model generated dataset must obey. These results, taking into account the chaotic hypothesis by Gallavotti and Cohen, might be relevant in several fields, including climate research. In particular, whereas the fluctuation-dissipation theorem does not work for non-equilibrium systems, because of the non-equivalence between internal and external fluctuations, K-K relations might be robust tools for the definition of a self-consistent theory of climate change. Along these lines, we present here the first evidence of the validity of these integral relations for the linear and the second harmonic response for the perturbed Lorenz 63 system, by showing that numerical simulations agree up to high degree of accuracy with the theoretical predictions. The numerical results confirm the conceptual validity of the nonlinear response theory, suggest that the theory can be extended for more general non equilibrium steady state systems, and shed new light on the applicability of very general tools, based only upon the principle of causality, for diagnosing the behavior of perturbed chaotic systems and reconstructing their output signals.

  4. Upscaling of Compositional Flow Simulation based on a non-Equilibrium Formulation

    NASA Astrophysics Data System (ADS)

    Salehi, A.; Voskov, D.; Tchelepi, H. A.

    2012-12-01

    Modeling multiphase flow of large number of components in natural porous media is a challenging problem of strong interest across many disciplines. Even with the most advanced computational methods and computer platforms, compositional simulation using the fine-scale (so-called geocellular) model is often too expensive; as a result, upscaling methods for compositional flows are essential. We describe a consistent representation of the coarse-scale equations, and we introduce upscaled flow functions to account for the sub-scale variations in both the absolute and relative permeability, as well as, compressibility effects. Upscaling of the thermodynamic phase behavior is the main focus of this work. We assume instantaneous phase equilibrium at the fine scale, and we derive coarse-scale equations, in which the phase behavior is represented in a non-equilibrium form. Viscous fingering, gravity override, and channeling at the sub-grid scale are possible reasons for this non-equilibrium behavior. Coarse-scale thermodynamic functions are introduced to quantify the difference in chemical potential of each component among the different phases and to capture the deviation of coarse blocks from equilibrium. These upscaled functions transform the two-phase region of the fine-scale, formed by equilibrium tie-lines, to a modified region with tilted tie-lines. We quantify the effect of the degree of heterogeneity variance and heterogeneity patterns on the modified non-equilibrium phase space in the upscaled representation. We also analyze the interplay of phase behavior and numerical dispersion at the coarse-scale, and we demonstrate how the averaging of sub-scale heterogeneities and the use of larger grid blocks can alter the solution. The accuracy and efficiency of proposed methodology is tested for various challenging gas injection problems, and we show that the approach accurately reproduces the averaged fine-scale solutions.

  5. Non-equilibrium thermodynamics, maximum entropy production and Earth-system evolution.

    PubMed

    Kleidon, Axel

    2010-01-13

    The present-day atmosphere is in a unique state far from thermodynamic equilibrium. This uniqueness is for instance reflected in the high concentration of molecular oxygen and the low relative humidity in the atmosphere. Given that the concentration of atmospheric oxygen has likely increased throughout Earth-system history, we can ask whether this trend can be generalized to a trend of Earth-system evolution that is directed away from thermodynamic equilibrium, why we would expect such a trend to take place and what it would imply for Earth-system evolution as a whole. The justification for such a trend could be found in the proposed general principle of maximum entropy production (MEP), which states that non-equilibrium thermodynamic systems maintain steady states at which entropy production is maximized. Here, I justify and demonstrate this application of MEP to the Earth at the planetary scale. I first describe the non-equilibrium thermodynamic nature of Earth-system processes and distinguish processes that drive the system's state away from equilibrium from those that are directed towards equilibrium. I formulate the interactions among these processes from a thermodynamic perspective and then connect them to a holistic view of the planetary thermodynamic state of the Earth system. In conclusion, non-equilibrium thermodynamics and MEP have the potential to provide a simple and holistic theory of Earth-system functioning. This theory can be used to derive overall evolutionary trends of the Earth's past, identify the role that life plays in driving thermodynamic states far from equilibrium, identify habitability in other planetary environments and evaluate human impacts on Earth-system functioning.

  6. Gas-Liquid Interfacial Non-Equilibrium Plasmas for Structure Controlled Nanoparticles

    NASA Astrophysics Data System (ADS)

    Kaneko, Toshiro

    2013-10-01

    Plasmas generated in liquid or in contact with liquid have attracted much attention as a novel reactive field in the nano-bio material creation because the brand-new chemical and biological reactions are yielded at the gas-liquid interface, which are induced by the physical actions of the non-equilibrium plasmas. In this study, first, size- and structure-controlled gold nanoparticles (AuNPs) covered with DNA are synthesized using a pulse-driven gas-liquid interfacial discharge plasma (GLIDP) for the application to next-generation drug delivery systems. The size and assembly of the AuNPs are found to be easily controlled by changing the plasma parameters and DNA concentration in the liquid. On the other hand, the mono-dispersed, small-sized, and interval-controlled AuNPs are synthesized by using the carbon nanotubes (CNTs) as a template, where the CNTs are functionalized by the ion and radical irradiation in non-equilibrium plasmas. These new materials are now widely applied to the solar cell, optical devices, and so on. Second, highly-ordered periodic structures of the AuNPs are formed by transcribing the periodic plasma structure to the surface of the liquid, where the spatially selective synthesis of the AuNPs is realized. This phenomenon is well explained by the reduction and oxidation effects of the radicals which are generated by the non-equilibrium plasma irradiation to the liquid and resultant dissociation of the liquid. In addition, it is attempted to form nano- or micro-scale periodic structures of the AuNPs based on the self-organizing behavior of turbulent plasmas generated by the nonlinear development of plasma fluctuations at the gas-liquid interface.

  7. Inertial confinement fusion method producing line source radiation fluence

    DOEpatents

    Rose, Ronald P.

    1984-01-01

    An inertial confinement fusion method in which target pellets are imploded in sequence by laser light beams or other energy beams at an implosion site which is variable between pellet implosions along a line. The effect of the variability in position of the implosion site along a line is to distribute the radiation fluence in surrounding reactor components as a line source of radiation would do, thereby permitting the utilization of cylindrical geometry in the design of the reactor and internal components.

  8. Magnetic field applied to thermochemical non-equilibrium reentry flows in 2D - five species

    NASA Astrophysics Data System (ADS)

    Sávio de Góes Maciel, Edisson

    2015-07-01

    In this work, a study involving magnetic field actuation over reentry flows in thermochemical non-equilibrium is performed. The Euler and Navier-Stokes equations are studied. The proposed numerical algorithm is centred and second-order accurate. The hypersonic flow around a blunt body is simulated. Three time integration methods are tested. The reactive simulations involve Earth atmosphere of five species. The work of Gaitonde is the reference to couple the fluid dynamics and Maxwell equations of electromagnetism. The results have indicated that the Maciel scheme, using the Mavriplis dissipation model, yields the best prediction of the stagnation pressure.

  9. The impact of non-equilibrium microstructure on the mechanical response of polymer nanocomposites

    NASA Astrophysics Data System (ADS)

    Thomin, James D.

    2007-12-01

    Experiments have shown that polymer nanocomposites can have mechanical properties that are greatly reinforced compared to the pure polymer, or even to equivalent micro-composites. However, despite a wealth of experimental observations, exactly how this occurs is still under debate. Using Molecular Dynamics computer simulations, we have shown that three primary physical effects can be present, depending on the system specifics. First, attractive particle-polymer interactions lead to a slowing of polymer motion in the interfacial zone. This effect then leads to an overall increase in the stress relaxation curve, in proportion to the volume fraction of the interfacial zone. Second, at high volume fractions of particles, "jamming" can occur whereby the particles make direct contact. This leads to solid-like behavior that is not polymer-based. Jamming can also occur at low volume fractions when the polymer-particle attractions are strong enough that polymer molecules form a bound layer around the particles, increasing the effective diameter to above the percolation threshold. The third effect is polymer-based, and can result in the formation of a long-time plateau in the relaxation modulus, or a substantial increase in the entanglement plateau. It occurs when polymer-particle interactions are strong enough that polymers are immobilized on the particle surface, but at volume fractions where there is a separation between bulk and interfacial regions. When these conditions are met, interparticle bridges may form, which then lead to network reinforcement. These conditions are by nature non-equilibrium, meaning that there are glassy regions which do not relax within accessible time-scales. Therefore, the properties of the composite depend strongly on processing history. At the opposite extreme, when polymer-particle interactions are weak, non-equilibrium particle clustering occurs. In contrast to the melt structures which are glassy because of strong enthalpic interactions

  10. Non-equilibrium Numerical Analysis of Microwave-supported Detonation Threshold Propagating through Diatomic Gas

    NASA Astrophysics Data System (ADS)

    Shiraishi, Hiroyuki

    2015-09-01

    Microwave-supported Detonation (MSD), one type of Microwave-supported Plasma (MSP), is considered as one of the most important phenomena because it can generate high pressure and high temperature for beam-powered space propulsion systems. In this study, I numerically simulate MSD waves propagating through a diatomic gas. In order to evaluate the threshold of beam intensity, I use the physical-fluid dynamics scheme, which has been developed for simulating unsteady and non-equilibrium LSD waves propagating through a hydrogen gas.

  11. A numerical study of non-equilibrium flows with different vibrational relaxation models

    NASA Astrophysics Data System (ADS)

    Petrov, N. V.; Kirilovskiy, S. V.; Poplavskaya, T. V.; Shoev, G. V.

    2016-07-01

    Comparative analysis of a widely used Landau-Teller formula for small deviations from thermal equilibrium and its generalized form, derived from the kinetic theory of gaseous, for an arbitrary deviation from the thermal equilibrium is performed by numerical simulation. Thermally non-equilibrium flows of carbon dioxide near a sharp-edged plate, pure nitrogen flows between two symmetrically located wedges, and the N2/N mixture flow with vibrational relaxation and dissociation over a cone have been considered. A comparison has been performed with the available experimental data.

  12. Ultrafast electron diffraction from non-equilibrium phonons in femtosecond laser heated Au films

    SciTech Connect

    Chase, T.; Trigo, M.; Reid, A. H.; Li, R.; Vecchione, T.; Shen, X.; Weathersby, S.; Coffee, R.; Hartmann, N.; Reis, D. A.; Wang, X. J.; Dürr, H. A.

    2016-01-25

    We use ultrafast electron diffraction to detect the temporal evolution of non-equilibrium phonons in femtosecond laser-excited ultrathin single-crystalline gold films. From the time-dependence of the Debye-Waller factor, we extract a 4.7 ps time-constant for the increase in mean-square atomic displacements. The observed increase in the diffuse scattering intensity demonstrates that the energy transfer from laser-heated electrons to phonon modes near the X and K points in the Au fcc Brillouin zone proceeds with timescales of 2.3 and 2.9 ps, respectively, faster than the Debye-Waller average mean-square displacement.

  13. Synthesis of silane and silicon in a non-equilibrium plasma jet

    NASA Technical Reports Server (NTRS)

    Calcote, H. F.; Felder, W.

    1977-01-01

    The feasibility of using a non-equilibrium hydrogen plasma jet as a chemical synthesis tool was investigated. Four possible processes were identified for further study: (1) production of polycrystalline silicon photovoltaic surfaces, (2) production of SiHCl3 from SiCl4, (3) production of SiH4 from SiHCl3, and (4) purification of SiCl4 by metal impurity nucleation. The most striking result was the recognition that the strongly adhering silicon films, amorphous or polycrystalline, produced in our studies could be the basis for preparing a photovoltaic surface directly; this process has potential advantages over other vapor deposition processes.

  14. Diffusive-convective transition in the non-equilibrium charging of an electric double layer

    NASA Astrophysics Data System (ADS)

    Lobaskin, Vladimir; Netz, Roland R.

    2016-12-01

    We study the non-equilibrium electrolyte kinetics in a planar nanocapacitor that is driven by periodically switching surfaces charges using simulations, theory and scaling analysis. The combined effects of inter-ionic charge correlations and hydrodynamic interactions lead to correlated convective behavior for weakly charged ions. These dynamic correlations, signaling the breakdown of the Poisson-Nernst-Planck theory, are distinct from static correlations that are manifested by the crossover from Poisson-Boltzmann to strong-coupling theory that occurs as the ion valency increases.

  15. Lyapunov Functions, Stationary Distributions, and Non-equilibrium Potential for Reaction Networks.

    PubMed

    Anderson, David F; Craciun, Gheorghe; Gopalkrishnan, Manoj; Wiuf, Carsten

    2015-09-01

    We consider the relationship between stationary distributions for stochastic models of reaction systems and Lyapunov functions for their deterministic counterparts. Specifically, we derive the well-known Lyapunov function of reaction network theory as a scaling limit of the non-equilibrium potential of the stationary distribution of stochastically modeled complex balanced systems. We extend this result to general birth-death models and demonstrate via example that similar scaling limits can yield Lyapunov functions even for models that are not complex or detailed balanced, and may even have multiple equilibria.

  16. Virial Theorem and Non-Equilibrium Canonical-Dissipative Distributions Characterizing Parkinson Tremor

    NASA Astrophysics Data System (ADS)

    Frank, T. D.

    The virial theorem and the concept of canonical-statistical distributions represent two fundamental elements of statistical physics. We apply these concepts to hand tremor oscillations recorded from six Parkinson patients. We find that the virial theorem holds for Parkinson tremor oscillations. In contrast, we find that the concept of canonical distributions fails to a certain extent and needs to be replaced by the notion of non-canonical (i.e., canonical-dissipative) distributions. In doing so, our analysis reveals both general statistical aspects and non-equilibrium aspects of Parkinson hand tremor.

  17. Non-equilibrium slave bosons approach to quantum pumping in interacting quantum dots

    NASA Astrophysics Data System (ADS)

    Citro, Roberta; Romeo, Francesco

    2016-03-01

    We review a time-dependent slave bosons approach within the non-equilibrium Green's function technique to analyze the charge and spin pumping in a strongly interacting quantum dot. We study the pumped current as a function of the pumping phase and of the dot energy level and show that a parasitic current arises, beyond the pure pumping one, as an effect of the dynamical constraints. We finally illustrate an all-electrical mean for spin-pumping and discuss its relevance for spintronics applications.

  18. Vibrational non-equilibrium in the hydrogen-oxygen reaction. Comparison with experiment

    NASA Astrophysics Data System (ADS)

    Skrebkov, Oleg V.

    2015-03-01

    A theoretical model is proposed for the chemical and vibrational kinetics of hydrogen oxidation based on consistent accounting of the vibrational non-equilibrium of the HO2 radical that forms as a result of the bimolecular recombination H+O2 → HO2. In the proposed model, the chain branching H+O2 = O+OH and inhibiting H+O2+M = HO2+M formal reactions are treated (in the terms of elementary processes) as a single multi-channel process of forming, intramolecular energy redistribution between modes, relaxation, and unimolecular decay of the comparatively long-lived vibrationally excited HO2 radical, which is able to react and exchange energy with the other components of the mixture. The model takes into account the vibrational non-equilibrium of the starting (primary) H2 and O2 molecules, as well as the most important molecular intermediates HO2, OH, O2(1Δ), and the main reaction product H2O. It is shown that the hydrogen-oxygen reaction proceeds in the absence of vibrational equilibrium, and the vibrationally excited HO2(v) radical acts as a key intermediate in a fundamentally important chain branching process and in the generation of electronically excited species O2(1Δ), O(1D), and OH(2Σ+). The calculated results are compared with the shock tube experimental data for strongly diluted H2-O2 mixtures at 1000 < T < 2500 K, 0.5 < p < 4 atm. It is demonstrated that this approach is promising from the standpoint of reconciling the predictions of the theoretical model with experimental data obtained by different authors for various compositions and conditions using different methods. For T < 1500 K, the nature of the hydrogen-oxygen reaction is especially non-equilibrium, and the vibrational non-equilibrium of the HO2 radical is the essence of this process. The quantitative estimation of the vibrational relaxation characteristic time of the HO2 radical in its collisions with H2 molecules has been obtained as a result of the comparison of different experimental data on

  19. Non-equilibrium Phenomenon between Electron and Lattice Systems Induced by the Peltier Effect

    NASA Astrophysics Data System (ADS)

    Iwasaki, Hideo; Hori, Hidenobu; Sasaki, Shosuke

    2005-08-01

    Temperature distributions of the electron and lattice systems induced by the Peltier effect have been precisely measured by improved Harman method, where the temperature differences (Δ Tel and Δ Tla) have been independently evaluated for several terminal lengths (LV) in thermoelectric materials (Bi,Sb)2Te3. Both temperature distributions have different behaviors in the stationary state, that is, the LV dependences of Δ Tel and Δ Tla show positive and negative curvatures, respectively. It is also indicated that the temperature difference has a linear relation to LV in the whole system and the observed non-equilibrium phenomenon is consistent with a law of the conservation of heat quantity.

  20. Double planar wire array as a compact plasma radiation source

    SciTech Connect

    Kantsyrev, V. L.; Safronova, A. S.; Esaulov, A. A.; Williamson, K. M.; Yilmaz, M. F.; Shrestha, I.; Ouart, N. D.; Osborne, G. C.; Rudakov, L. I.; Chuvatin, A. S.; Coverdale, C. A.; Deeney, C.

    2008-03-15

    Magnetically compressed plasmas initiated by a double planar wire array (DPWA) are efficient radiation sources. The two rows in a DPWA implode independently and then merge together at stagnation producing soft x-ray yields and powers of up to 11.5 kJ/cm and more than 0.4 TW/cm, higher than other planar arrays or low wire-number cylindrical arrays on the 1 MA Zebra generator. DPWA, where precursors form in two stages, produce a shaped radiation pulse and radiate more energy in the main burst than estimates of implosion kinetic energy. High radiation efficiency, compact size (as small as 3-5 mm wide), and pulse shaping show that the DPWA is a potential candidate for ICF and radiation physics research.

  1. Radiation doses to insertion devices at the Advanced Photon Source

    SciTech Connect

    Moog, E.R.; Den Hartog, P.K.; Semones, E.J.; Job, P.K.

    1997-09-01

    Dose measurements made on and around the insertion devices (IDs) at the Advanced Photon Source are reported. Attempts are made to compare these dose rates to dose rates that have been reported to cause radiation-induced demagnetization, but comparisons are complicated by such factors as the particular magnet material and the techniques used in its manufacture, the spectrum and type of radiation, and the demagnetizing field seen by the magnet. The spectrum of radiation at the IDs. It has almost no effect on the dose to the downstream ends of the IDs, however, since much of the radiation travels through the ID vacuum chamber and cannot be readily shielded. Opening the gaps of the IDs during injection and at other times also helps decrease the radiation exposure.

  2. Producing terahertz coherent synchrotron radiation at the Hefei Light Source

    NASA Astrophysics Data System (ADS)

    Xu, De-Rong; Xu, Hong-Liang; Shao, Yan

    2015-07-01

    This paper theoretically proves that an electron storage ring can generate coherent radiation in the THz region using a quick kicker magnet and an AC sextupole magnet. When the vertical chromaticity is modulated by the AC sextupole magnet, the vertical beam collective motion excited by the kicker produces a wavy spatial structure after a number of longitudinal oscillation periods. The radiation spectral distribution was calculated from the wavy bunch parameters at the Hefei Light Source (HLS). When the electron energy is reduced to 400 MeV, extremely strong coherent synchrotron radiation (CSR) at 0.115 THz should be produced. Supported by National Natural Science Foundation of China (11375176)

  3. Unusual dileptions at RHIC a field theoretic approach based on a non-equilibrium chiral phase transition

    SciTech Connect

    Cooper, F.

    1997-09-22

    This paper contains viewgraphs on unusual dileptons at Brookhaven RHIC. A field theory approach is used based on a non-equilibrium chiral phase transformation utilizing the schroedinger and Heisenberg picture.

  4. Remembrance of things past: non-equilibrium effects and the evolution of critical fluctuations near the QCD critical point

    NASA Astrophysics Data System (ADS)

    Mukherjee, Swagato; Venugopalan, Raju; Yin, Yi

    2016-12-01

    We report on recent progress in the study of the evolution of non-Gaussian cumulants of critical fluctuations. We explore the implications of non-equilibrium effects on the search for the QCD critical point.

  5. Direct exposure of non-equilibrium atmospheric pressure plasma confers simultaneous oxidative and ultraviolet modifications in biomolecules

    PubMed Central

    Okazaki, Yasumasa; Wang, Yue; Tanaka, Hiromasa; Mizuno, Masaaki; Nakamura, Kae; Kajiyama, Hiroaki; Kano, Hiroyuki; Uchida, Koji; Kikkawa, Fumitaka; Hori, Masaru; Toyokuni, Shinya

    2014-01-01

    Thermal plasmas and lasers are used in medicine to cut and ablate tissues and for coagulation. Non-equilibrium atmospheric pressure plasma (NEAPP) is a recently developed, non-thermal technique with possible biomedical applications. Although NEAPP reportedly generates reactive oxygen/nitrogen species, electrons, positive ions, and ultraviolet radiation, little research has been done into the use of this technique for conventional free radical biology. Recently, we developed a NEAPP device with high electron density. Electron spin resonance spin-trapping revealed •OH as a major product. To obtain evidence of NEAPP-induced oxidative modifications in biomolecules and standardize them, we evaluated lipid peroxidation and DNA modifications in various in vitro and ex vivo experiments. Conjugated dienes increased after exposure to linoleic and α-linolenic acids. An increase in 2-thiobarbituric acid-reactive substances was also observed after exposure to phosphatidylcholine, liposomes or liver homogenate. Direct exposure to rat liver in saline produced immunohistochemical evidence of 4-hydroxy-2-nonenal- and acrolein-modified proteins. Exposure to plasmid DNA induced dose-dependent single/double strand breaks and increased the amounts of 8-hydroxy-2'-deoxyguanosine and cyclobutane pyrimidine dimers. These results indicate that oxidative biomolecular damage by NEAPP is dose-dependent and thus can be controlled in a site-specific manner. Simultaneous oxidative and UV-specific DNA damage may be useful in cancer treatment. PMID:25411528

  6. MCNP model for the many KE-Basin radiation sources

    SciTech Connect

    Rittmann, P.D.

    1997-05-21

    This document presents a model for the location and strength of radiation sources in the accessible areas of KE-Basin which agrees well with data taken on a regular grid in September of 1996. This modelling work was requested to support dose rate reduction efforts in KE-Basin. Anticipated fuel removal activities require lower dose rates to minimize annual dose to workers. With this model, the effects of component cleanup or removal can be estimated in advance to evaluate their effectiveness. In addition, the sources contributing most to the radiation fields in a given location can be identified and dealt with.

  7. Potential and flux field landscape theory. I. Global stability and dynamics of spatially dependent non-equilibrium systems.

    PubMed

    Wu, Wei; Wang, Jin

    2013-09-28

    We established a potential and flux field landscape theory to quantify the global stability and dynamics of general spatially dependent non-equilibrium deterministic and stochastic systems. We extended our potential and flux landscape theory for spatially independent non-equilibrium stochastic systems described by Fokker-Planck equations to spatially dependent stochastic systems governed by general functional Fokker-Planck equations as well as functional Kramers-Moyal equations derived from master equations. Our general theory is applied to reaction-diffusion systems. For equilibrium spatially dependent systems with detailed balance, the potential field landscape alone, defined in terms of the steady state probability distribution functional, determines the global stability and dynamics of the system. The global stability of the system is closely related to the topography of the potential field landscape in terms of the basins of attraction and barrier heights in the field configuration state space. The effective driving force of the system is generated by the functional gradient of the potential field alone. For non-equilibrium spatially dependent systems, the curl probability flux field is indispensable in breaking detailed balance and creating non-equilibrium condition for the system. A complete characterization of the non-equilibrium dynamics of the spatially dependent system requires both the potential field and the curl probability flux field. While the non-equilibrium potential field landscape attracts the system down along the functional gradient similar to an electron moving in an electric field, the non-equilibrium flux field drives the system in a curly way similar to an electron moving in a magnetic field. In the small fluctuation limit, the intrinsic potential field as the small fluctuation limit of the potential field for spatially dependent non-equilibrium systems, which is closely related to the steady state probability distribution functional, is

  8. Network detection of radiation sources using ROSD localization

    SciTech Connect

    Wu, Qishi; Berry, M. L..; Grieme, M.; Rao, Nageswara S; Sen, Satyabrata; Brooks, Richard R

    2015-01-01

    We propose a localization-based radiation source detection (RSD) algorithm using the Ratio of Squared Distance (ROSD) method. Compared with the triangulation-based method, the advantages of this ROSD method are multi-fold: i) source location estimates based on four detectors improve their accuracy, ii) ROSD provides closed-form source location estimates and thus eliminates the imaginary-roots issue, and iii) ROSD produces a unique source location estimate as opposed to two real roots (if any) in triangulation, and obviates the need to identify real phantom roots during clustering.

  9. The development of a non-equilibrium dispersed flow film boiling heat transfer modeling package

    NASA Astrophysics Data System (ADS)

    Meholic, Michael J.

    The dispersed flow film boiling (DFFB) heat transfer regime is important to several applications including cryogenics, rocket engines, steam generators, and in the safety analysis of nuclear reactors. Most notably, DFFB is responsible for the heat transfer during the blowdown and reflood portions of the postulated loss-of-coolant-accident (LOCA). Such analyses require the accurate predictions of the heat transfer resulting from the non-equilibrium conditions present in DFFB. A total of six, interrelated heat transfer paths need to be modeled accurately in order to quantify DFFB heat transfer. Within the nuclear industry, transient safety analysis codes, such as COBRA-TF, are used to ensure the safety of the reactor under various transient and accident scenarios. An extensive literature review of DFFB heat transfer highlighted a number of correlative, phenomenological, and mechanistic models. The Forslund-Rohsenow model is most commonly implemented throughout the nuclear industry. However, several of the models suggested by Forslund and Rohsenow to model DFFB phenomena are either inapplicable for nuclear reactors or do not provide an accurate physical representation of the true situation. Deficiencies among other DFFB heat transfer models in their applicability to nuclear reactors or in their computational expenses motivated the development of a mechanistically based DFFB model which accounted for each heat transfer mechanism explicitly. The heat transfer resulting from dispersed droplets contacting the heated wall in DFFB was often neglected in previous models. In this work, a first-principles approach was implemented to quantify the heat transfer attributed to direct contact. Lagrangian droplet trajectory calculations incorporating realistic radial vapor velocity and temperature profiles were performed to determine if droplets could contact the heated wall based upon the local conditions. These calculations were performed over a droplet size spectrum accounting

  10. Smart material-based radiation sources

    NASA Astrophysics Data System (ADS)

    Kovaleski, Scott

    2014-10-01

    From sensors to power harvesters, the unique properties of smart materials have been exploited in numerous ways to enable new applications and reduce the size of many useful devices. Smart materials are defined as materials whose properties can be changed in a controlled and often reversible fashion by use of external stimuli, such as electric and magnetic fields, temperature, or humidity. Smart materials have been used to make acceleration sensors that are ubiquitous in mobile phones, to make highly accurate frequency standards, to make unprecedentedly small actuators and motors, to seal and reduce friction of rotating shafts, and to generate power by conversion of either kinetic or thermal energy to electrical energy. The number of useful devices enabled by smart materials is large and continues to grow. Smart materials can also be used to generate plasmas and accelerate particles at small scales. The materials discussed in this talk are from non-centrosymmetric crystalline classes including piezoelectric, pyroelectric, and ferroelectric materials, which produce large electric fields in response to external stimuli such as applied electric fields or thermal energy. First, the use of ferroelectric, pyroelectric and piezoelectric materials for plasma generation and particle acceleration will be reviewed. The talk will then focus on the use of piezoelectric materials at the University of Missouri to construct plasma sources and electrostatic accelerators for applications including space propulsion, x-ray imaging, and neutron production. The basic concepts of piezoelectric transformers, which are analogous to conventional magnetic transformers, will be discussed, along with results from experiments over the last decade to produce micro-thrusters for space propulsion and particle accelerators for x-ray and neutron production. Support from ONR, AFOSR, and LANL.

  11. Non-equilibrium and equilibrium sorption with a linear-sorption isotherm during mass transport through an infinite, porous medium: some analytical solutions

    SciTech Connect

    Carnahan, C.L.; Remer, J.S.

    1981-04-01

    Analytical solutions have been developed for the problem of solute transport in a steady, three dimensional field of groundwater flow with non-equilibrium mass transfer of a radioactive species between fluid and solid phases and with anisotropic hydrodynamic dispersion. Interphase mass transport is described by a linear rate expression. Solutions are presented also for the case of equilibrium distribution of solute between fluid and solid phases. Three types of release from a point source were considered: instantaneous release of a finite mass of solute, continuous release at an exponentially decaying rate, and release for a finite period of time. Graphical displays of computational results for point-source solutions show the expected variation of sorptive retardation effects progressing from the case of no sorption, through several cases of non-equilibrium sorption, to the case of equilibrium sorption. The point-source solutions can be integrated over finite regions of a space to provide analytical solutions for regions of solute release having finite spatial extents and various geometrical shapes, thus considerably extending the utility of the point-source solutions.

  12. Influence of dielectric materials on radial uniformity in non-equilibrium atmospheric pressure helium plasma

    NASA Astrophysics Data System (ADS)

    Oda, Akinori; Komori, Kyohei

    2015-09-01

    Non-equilibrium atmospheric pressure plasma has been utilized for various technological applications such as surface treatment, materials processing, bio-medical and bio-logical applications. For optimum control of the plasma for the above applications, numerous experimental and theoretical investigations on the plasma have been reported. Especially, controlling radial uniformity of the plasma are very important for utilizing materials processing. In this paper, an axially-symmetric three-dimensional fluid model, which is composed of the continuity equation for charged and neutral species, the Poisson equation, and the energy conservation equation for electrons, of non-equilibrium atmospheric pressure helium plasma has been developed. Then, influence of dielectric properties (e.g. relative permittivity, secondary electron emission coefficient, etc.) of dielectric materials on radial plasma uniformity (i.e. radial distributions of electron density, ion density, electric field in the plasma) was examined. This work was partly supported by KAKENHI (No. 26420247), and a ``Grant for Advanced Industrial Technology Development (No. 11B06004d)'' in 2011 from the New Energy and Industrial Technology Development Organization (NEDO) of Japan.

  13. Non-equilibrium dynamics and floral trait interactions shape extant angiosperm diversity

    PubMed Central

    O'Meara, Brian C.; Smith, Stacey D.; Armbruster, W. Scott; Harder, Lawrence D.; Hardy, Christopher R.; Hileman, Lena C.; Hufford, Larry; Litt, Amy; Magallón, Susana; Smith, Stephen A.; Stevens, Peter F.; Fenster, Charles B.; Diggle, Pamela K.

    2016-01-01

    Why are some traits and trait combinations exceptionally common across the tree of life, whereas others are vanishingly rare? The distribution of trait diversity across a clade at any time depends on the ancestral state of the clade, the rate at which new phenotypes evolve, the differences in speciation and extinction rates across lineages, and whether an equilibrium has been reached. Here we examine the role of transition rates, differential diversification (speciation minus extinction) and non-equilibrium dynamics on the evolutionary history of angiosperms, a clade well known for the abundance of some trait combinations and the rarity of others. Our analysis reveals that three character states (corolla present, bilateral symmetry, reduced stamen number) act synergistically as a key innovation, doubling diversification rates for lineages in which this combination occurs. However, this combination is currently less common than predicted at equilibrium because the individual characters evolve infrequently. Simulations suggest that angiosperms will remain far from the equilibrium frequencies of character states well into the future. Such non-equilibrium dynamics may be common when major innovations evolve rarely, allowing lineages with ancestral forms to persist, and even outnumber those with diversification-enhancing states, for tens of millions of years. PMID:27147092

  14. Verification of Onsager's reciprocal relations for evaporation and condensation using non-equilibrium molecular dynamics.

    PubMed

    Xu, J; Kjelstrup, S; Bedeaux, D; Røsjorde, A; Rekvig, L

    2006-07-01

    Non-equilibrium molecular dynamic (NEMD) simulations have been used to study heat and mass transfer across a vapor-liquid interface for a one-component system using a Lennard-Jones spline potential. It was confirmed that the relation between the surface tension and the surface temperature in the non-equilibrium system was the same as in equilibrium (local equilibrium). Interfacial transfer coefficients were evaluated for the surface, which expressed the heat and mass fluxes in temperature and chemical potential differences across the interfacial region (film). In this analysis it was assumed that the Onsager reciprocal relations were valid. In this paper we extend the number of simulations such that we can calculate all four interface film transfer coefficients along the whole liquid-vapor coexistence curve. We do this analysis both for the case where we use the measurable heat flux on the vapor side and for the case where we use the measurable heat flux on the liquid side. The most important result we found is that the coupling coefficients within the accuracy of the calculation are equal. This is the first verification of the validity of the Onsager relations for transport through a surface using molecular dynamics. The interfacial film transfer coefficients are found to be a function of the surface temperature alone. New expressions are given for the kinetic theory values of these coefficients which only depend on the surface temperature. The NEMD values were found to be in good agreement with these expressions.

  15. Contributions of equilibrium and non-equilibrium clusters to viscosity in concentrated protein solutions

    NASA Astrophysics Data System (ADS)

    Sarangapani, Prasad; Hudson, Steven; Pathak, Jai; Migler, Kalman

    2013-03-01

    Equilibrium and non-equilibrium clustering are ubiquitous phenomena in soft matter physics and are typically observed in systems ranging from colloidal suspensions to monoclonal antibodies (mAbs). Such phenomena are central to understanding and preventing irreversible aggregation in addition to controlling viscosity challenges related to formulation and drug delivery of protein therapeutics. Curiously, little work has been done in exploring the cluster size dependence of low-shear viscosity and intrinsic viscosity in protein solutions in a controlled manner. In this work, we carefully control cluster size of reversible and irreversible clusters formed by globular proteins or monoclonal antibodies over a concentration range of 2 mg/mL-500 mg/mL and pH from 3-9. We find a marked dependence of low-shear viscosity on cluster size using custom-designed silicon-based microfluidic viscometers. Measurements of cluster sizes using static light scattering reveal a correlation of low shear viscosity as well as intrinsic viscosity with the average cluster size. We model the composition dependence of viscosity for the case of equilibrium and non-equilibrium clusters using an adaptation of a model recently presented by Minton for protein mixtures.

  16. Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption.

    PubMed

    De Los Rios, Paolo; Barducci, Alessandro

    2014-05-27

    70-kDa Heat shock proteins are ATP-driven molecular chaperones that perform a myriad of essential cellular tasks. Although structural and biochemical studies have shed some light on their functional mechanism, the fundamental issue of the role of energy consumption, due to ATP-hydrolysis, has remained unaddressed. Here we establish a clear connection between the non-equilibrium nature of Hsp70, due to ATP hydrolysis, and the determining feature of its function, namely its high affinity for its substrates. Energy consumption can indeed decrease the dissociation constant of the chaperone-substrate complex by several orders of magnitude with respect to an equilibrium scenario. We find that the biochemical requirements for observing such ultra-affinity coincide with the physiological conditions in the cell. Our results rationalize several experimental observations and pave the way for further analysis of non-equilibrium effects underlying chaperone functions.DOI: http://dx.doi.org/10.7554/eLife.02218.001.

  17. Equilibrium and non-equilibrium cluster phases in colloids with competing interactions.

    PubMed

    Mani, Ethayaraja; Lechner, Wolfgang; Kegel, Willem K; Bolhuis, Peter G

    2014-07-07

    The phase behavior of colloids that interact via competing interactions - short-range attraction and long-range repulsion - is studied by computer simulation. In particular, for a fixed strength and range of repulsion, the effect of the strength of an attractive interaction (ε) on the phase behavior is investigated at various colloid densities (ρ). A thermodynamically stable equilibrium colloidal cluster phase, consisting of compact crystalline clusters, is found below the fluid-solid coexistence line in the ε-ρ parameter space. The mean cluster size is found to linearly increase with the colloid density. At large ε and low densities, and at small ε and high densities, a non-equilibrium cluster phase, consisting of elongated Bernal spiral-like clusters, is observed. Although gelation can be induced either by increasing ε at constant density or vice versa, the gelation mechanism is different in either route. While in the ρ route gelation occurs via a glass transition of compact clusters, gelation in the ε route is characterized by percolation of elongated clusters. This study both provides the location of equilibrium and non-equilibrium cluster phases with respect to the fluid-solid coexistence, and reveals the dependencies of the gelation mechanism on the preparation route.

  18. Multiple temperature kinetic model and gas-kinetic method for hypersonic non-equilibrium flow computations

    NASA Astrophysics Data System (ADS)

    Xu, Kun; He, Xin; Cai, Chunpei

    2008-07-01

    It is well known that for increasingly rarefied flowfields, the predictions from continuum formulation, such as the Navier-Stokes equations lose accuracy. For the high speed diatomic molecular flow in the transitional regime, the inaccuracies are partially attributed to the single temperature approximations in the Navier-Stokes equations. Here, we propose a continuum multiple temperature model based on the Bhatnagar-Gross-Krook (BGK) equation for the non-equilibrium flow computation. In the current model, the Landau-Teller-Jeans relaxation model for the rotational energy is used to evaluate the energy exchange between the translational and rotational modes. Due to the multiple temperature approximation, the second viscosity coefficient in the Navier-Stokes equations is replaced by the temperature relaxation term. In order to solve the multiple temperature kinetic model, a multiscale gas-kinetic finite volume scheme is proposed, where the gas-kinetic equation is numerically solved for the fluxes to update the macroscopic flow variables inside each control volume. Since the gas-kinetic scheme uses a continuous gas distribution function at a cell interface for the fluxes evaluation, the moments of a gas distribution function can be explicitly obtained for the multiple temperature model. Therefore, the kinetic scheme is much more efficient than the DSMC method, especially in the near continuum flow regime. For the non-equilibrium flow computations, i.e., the nozzle flow and hypersonic rarefied flow over flat plate, the computational results are validated in comparison with experimental measurements and DSMC solutions.

  19. Non-equilibrium solid-to-plasma transition dynamics using XANES diagnostic

    NASA Astrophysics Data System (ADS)

    Dorchies, F.; Recoules, V.

    2016-10-01

    The advent of femtosecond lasers has shed new light on non-equilibrium high energy density physics. The ultrafast energy absorption by electrons and the finite rate of their energy transfer to the lattice creates non-equilibrium states of matter, triggering a new class of non-thermal processes from the ambient solid up to extreme conditions of temperature and pressure, referred as the warm dense matter regime. The dynamical interplay between electron and atomic structures is the key issue that drives the ultrafast phase transitions dynamics. Bond weakening or bond hardening are predicted, but strongly depends on the material considered. Many studies have been conducted but this physics is still poorly understood. The experimental tools used up-to-now have provided an incomplete insight. Pure optical techniques measure only indirectly atomic motion through changes in the dielectric function whereas X-ray or electron diffraction only probes the average long-range order. This review is dedicated to recent developments in time-resolved X-ray absorption near-edge spectroscopy, which is expected to give a more complete picture by probing simultaneously the modifications of the near-continuum electron and local atomic structures. Results are reported for three different types of metals (simple, transition and noble metals) in which a confrontation has been carried out between measurements and ab initio simulations.

  20. Non-equilibrium entropy and dynamics in a system with long-range interactions

    NASA Astrophysics Data System (ADS)

    Rocha Filho, T. M.

    2016-05-01

    We extend the core-halo approach of Levin et al (2014 Phys. Rep. 535, 1) for the violent relaxation of long-range interacting system with a waterbag initial condition, in the case of a widely studied Hamiltonian mean field model. The Gibbs entropy maximization principle is considered with the constraints of energy conservation and of coarse-grained Casimir invariants of the Vlasov equation. The core-halo distribution function depends only on the one-particle mean-field energy, as is expected from the Jeans theorem, and depends on a set of parameters which in our approach is completely determined without having to solve an envelope equation for the contour of the initial state, as required in the original approach. We also show that a different ansatz can be used for the core-halo distribution with similar results. This work also reveals a link between a parametric resonance causing the non-equilibrium phase transition in the model, a dynamical property, and a discontinuity of the (non-equilibrium) entropy of the system.

  1. Single-molecule measurement of the effective temperature in non-equilibrium steady states

    NASA Astrophysics Data System (ADS)

    Dieterich, E.; Camunas-Soler, J.; Ribezzi-Crivellari, M.; Seifert, U.; Ritort, F.

    2015-11-01

    Temperature is a well-defined quantity for systems in equilibrium. For glassy systems, it has been extended to the non-equilibrium regime, showing up as an effective quantity in a modified version of the fluctuation-dissipation theorem. However, experimental evidence supporting this definition remains scarce. Here, we present the first direct experimental demonstration of the effective temperature by measuring correlations and responses in single molecules in non-equilibrium steady states generated under external random forces. We combine experiment, analytical theory and simulations for systems with different levels of complexity, ranging from a single bead in an optical trap to two-state and multiple-state DNA hairpins. From these data, we extract a unifying picture for the existence of an effective temperature based on the relative order of various timescales characterizing intrinsic relaxation and external driving. Our study thus introduces driven small systems as a fertile ground to address fundamental concepts in statistical physics, condensed-matter physics and biophysics.

  2. A note on non-equilibrium work fluctuations and equilibrium free energies

    NASA Astrophysics Data System (ADS)

    Suman Kalyan, M.; Anjan Prasad, G.; Sastry, V. S. S.; Murthy, K. P. N.

    2011-04-01

    We consider in this paper, a few important issues in non-equilibrium work fluctuations and their relations to equilibrium free energies. First we show that the Jarzynski identity can be viewed as a cumulant expansion of work. For a switching process which is nearly quasistatic the work distribution is sharply peaked and Gaussian. We show analytically that dissipation given by average work minus reversible work WR, decreases when the process becomes more and more quasistatic. Eventually, in the quasistatic reversible limit, the dissipation vanishes. However the estimate of p, the probability of violation of the second law given by the integral of the tail of the work distribution from -∞ to WR, increases and takes a value of 0.5 in the quasistatic limit. We show this analytically employing Gaussian integrals given by error functions and the Callen-Welton theorem that relates fluctuations to dissipation in process that is nearly quasistatic. Then we carry out Monte Carlo simulation of non-equilibrium processes in a liquid crystal system in the presence of an electric field and present results on reversible work, dissipation, probability of violation of the second law and distribution of work.

  3. Phase-field investigation on the non-equilibrium interface dynamics of rapid alloy solidification

    SciTech Connect

    Choi, Jeong

    2011-01-01

    The research program reported here is focused on critical issues that represent conspicuous gaps in current understanding of rapid solidification, limiting our ability to predict and control microstructural evolution (i.e. morphological dynamics and microsegregation) at high undercooling, where conditions depart significantly from local equilibrium. More specifically, through careful application of phase-field modeling, using appropriate thin-interface and anti-trapping corrections and addressing important details such as transient effects and a velocity-dependent (i.e. adaptive) numerics, the current analysis provides a reasonable simulation-based picture of non-equilibrium solute partitioning and the corresponding oscillatory dynamics associated with single-phase rapid solidification and show that this method is a suitable means for a self-consistent simulation of transient behavior and operating point selection under rapid growth conditions. Moving beyond the limitations of conventional theoretical/analytical treatments of non-equilibrium solute partitioning, these results serve to substantiate recent experimental findings and analytical treatments for single-phase rapid solidification. The departure from the equilibrium solid concentration at the solid-liquid interface was often observed during rapid solidification, and the energetic associated non-equilibrium solute partitioning has been treated in detail, providing possible ranges of interface concentrations for a given growth condition. Use of these treatments for analytical description of specific single-phase dendritic and cellular operating point selection, however, requires a model for solute partitioning under a given set of growth conditions. Therefore, analytical solute trapping models which describe the chemical partitioning as a function of steady state interface velocities have been developed and widely utilized in most of the theoretical investigations of rapid solidification. However, these

  4. Novel non-equilibrium modelling of a DC electric arc in argon

    NASA Astrophysics Data System (ADS)

    Baeva, M.; Benilov, M. S.; Almeida, N. A.; Uhrlandt, D.

    2016-06-01

    A novel non-equilibrium model has been developed to describe the interplay of heat and mass transfer and electric and magnetic fields in a DC electric arc. A complete diffusion treatment of particle fluxes, a generalized form of Ohm’s law, and numerical matching of the arc plasma with the space-charge sheaths adjacent to the electrodes are applied to analyze in detail the plasma parameters and the phenomena occurring in the plasma column and the near-electrode regions of a DC arc generated in atmospheric pressure argon for current levels from 20 A up to 200 A. Results comprising electric field and potential, current density, heating of the electrodes, and effects of thermal and chemical non-equilibrium are presented and discussed. The current-voltage characteristic obtained is in fair agreement with known experimental data. It indicates a minimum for arc current of about 80 A. For all current levels, a field reversal in front of the anode accompanied by a voltage drop of (0.7-2.6) V is observed. Another field reversal is observed near the cathode for arc currents below 80 A.

  5. A tightly coupled non-equilibrium model for inductively coupled radio-frequency plasmas

    SciTech Connect

    Munafò, A. Alfuhaid, S. A. Panesi, M.; Cambier, J.-L.

    2015-10-07

    The objective of the present work is the development of a tightly coupled magneto-hydrodynamic model for inductively coupled radio-frequency plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State approach. A multi-temperature formulation is used to account for thermal non-equilibrium between translation of heavy-particles and vibration of molecules. Excited electronic states of atoms are instead treated as separate pseudo-species, allowing for non-Boltzmann distributions of their populations. Free-electrons are assumed Maxwellian at their own temperature. The governing equations for the electro-magnetic field and the gas properties (e.g., chemical composition and temperatures) are written as a coupled system of time-dependent conservation laws. Steady-state solutions are obtained by means of an implicit Finite Volume method. The results obtained in both LTE and NLTE conditions over a broad spectrum of operating conditions demonstrate the robustness of the proposed coupled numerical method. The analysis of chemical composition and temperature distributions along the torch radius shows that: (i) the use of the LTE assumption may lead to an inaccurate prediction of the thermo-chemical state of the gas, and (ii) non-equilibrium phenomena play a significant role close the walls, due to the combined effects of Ohmic heating and macroscopic gradients.

  6. Time-dependent non-equilibrium dielectric response in QM/continuum approaches

    SciTech Connect

    Ding, Feizhi; Lingerfelt, David B.; Li, Xiaosong E-mail: li@chem.washington.edu; Mennucci, Benedetta E-mail: li@chem.washington.edu

    2015-01-21

    The Polarizable Continuum Models (PCMs) are some of the most inexpensive yet successful methods for including the effects of solvation in quantum-mechanical calculations of molecular systems. However, when applied to the electronic excitation process, these methods are restricted to dichotomously assuming either that the solvent has completely equilibrated with the excited solute charge density (infinite-time limit), or that it retains the configuration that was in equilibrium with the solute prior to excitation (zero-time limit). This renders the traditional PCMs inappropriate for resolving time-dependent solvent effects on non-equilibrium solute electron dynamics like those implicated in the instants following photoexcitation of a solvated molecular species. To extend the existing methods to this non-equilibrium regime, we herein derive and apply a new formalism for a general time-dependent continuum embedding method designed to be propagated alongside the solute’s electronic degrees of freedom in the time domain. Given the frequency-dependent dielectric constant of the solvent, an equation of motion for the dielectric polarization is derived within the PCM framework and numerically integrated simultaneously with the time-dependent Hartree fock/density functional theory equations. Results for small molecular systems show the anticipated dipole quenching and electronic state dephasing/relaxation resulting from out-of-phase charge fluctuations in the dielectric and embedded quantum system.

  7. Generalized Metropolis acceptance criterion for hybrid non-equilibrium molecular dynamics—Monte Carlo simulations

    SciTech Connect

    Chen, Yunjie; Roux, Benoît

    2015-01-14

    A family of hybrid simulation methods that combines the advantages of Monte Carlo (MC) with the strengths of classical molecular dynamics (MD) consists in carrying out short non-equilibrium MD (neMD) trajectories to generate new configurations that are subsequently accepted or rejected via an MC process. In the simplest case where a deterministic dynamic propagator is used to generate the neMD trajectories, the familiar Metropolis acceptance criterion based on the change in the total energy ΔE, min[1,  exp( − βΔE)], guarantees that the hybrid algorithm will yield the equilibrium Boltzmann distribution. However, the functional form of the acceptance probability is more complex when the non-equilibrium switching process is generated via a non-deterministic stochastic dissipative propagator coupled to a heat bath. Here, we clarify the conditions under which the Metropolis criterion remains valid to rigorously yield a proper equilibrium Boltzmann distribution within hybrid neMD-MC algorithm.

  8. Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

    SciTech Connect

    Ma, Wen; Senanayake, Sanjaya D.; Herbert, F. William; Yildiz, Bilge

    2015-03-11

    The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr1+, Zr2+, and Zr3+ as non-equilibrium oxidation states, in addition to Zr4+ in the stoichiometric ZrO2. This finding resolves the long-debated question of whether it is possible to form any valence states between Zr0 and Zr4+ at the metal-oxide interface. As a result, the presence of local strong electric fields and the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr.

  9. Non-equilibrium disordered Bose gases: condensation, superfluidity and dynamical Bose glass

    NASA Astrophysics Data System (ADS)

    Chen, Lei; Liang, Zhaoxin; Hu, Ying; Zhang, Zhidong

    2016-01-01

    In an equilibrium three-dimensional (3D) disordered condensate, it is well established that disorder can generate an amount of normal fluid ρ n equaling to 4/3 of ρ ex , where ρ ex is a sum of interaction-induced quantum depletion and disorder-induced condensate deformation. The concept that the superfluid is more volatile to the existence of disorder than the condensate is crucial to the understanding of the Bose glass phase. In this work, we show that, by bringing a weakly disordered 3D condensate to non-equilibrium regime via a quantum quench in the interaction, disorder can destroy superfluid significantly more, leading to a steady state of Hamiltonian H f in which the ρ n far exceeds 4/3 of the ρ ex . This suggests the possibility of engineering Bose glass in the dynamic regime. Here, we refer to the dynamical Bose glass as the case where in the steady state of quenched condensate, the superfluid density goes to zero while the condensate density remains finite. As both the ρ n and ρ ex are measurable quantities, our results allow an experimental demonstration of the dramatized interplay between the disorder and interaction in the non-equilibrium scenario.

  10. Non-equilibrium Thermodynamic Processes: Space Plasmas and the Inner Heliosheath

    NASA Astrophysics Data System (ADS)

    Livadiotis, G.; McComas, D. J.

    2012-04-01

    Recently, empirical kappa distribution, commonly used to describe non-equilibrium systems like space plasmas, has been connected with non-extensive statistical mechanics. Here we show how a consistent definition of the temperature and pressure is developed for stationary states out of thermal equilibrium, so that the familiar ideal gas state equation still holds. In addition to the classical triplet of temperature, pressure, and density, this generalization requires the kappa index as a fourth independent thermodynamic variable that characterizes the non-equilibrium stationary states. All four of these thermodynamic variables have key roles in describing the governing thermodynamical processes and transitions in space plasmas. We introduce a novel characterization of isothermal and isobaric processes that describe a system's transition into different stationary states by varying the kappa index. In addition, we show how the variation of temperature or/and pressure can occur through an "iso-q" process, in which the system remains in a fixed stationary state (fixed kappa index). These processes have been detected in the proton plasma in the inner heliosheath via specialized data analysis of energetic neutral atom (ENA) observations from Interstellar Boundary Explorer. In particular, we find that the temperature is highly correlated with (1) kappa, asymptotically related to isothermal (~1,000,000 K) and iso-q (κ ~ 1.7) processes; and (2) density, related to an isobaric process, which separates the "Ribbon," P ≈ 3.2 pdyn cm-2, from the globally distributed ENA flux, P ≈ 2 pdyn cm-2.

  11. Application of extremely non-equilibrium plasmas in the processing of nano and biomedical materials

    NASA Astrophysics Data System (ADS)

    Mozetič, Miran; Primc, Gregor; Vesel, Alenka; Zaplotnik, Rok; Modic, Martina; Junkar, Ita; Recek, Nina; Klanjšek-Gunde, Marta; Guhy, Lukus; Sunkara, Mahendra K.; Assensio, Maria C.; Milošević, Slobodan; Lehocky, Marian; Sedlarik, Vladimir; Gorjanc, Marija; Kutasi, Kinga; Stana-Kleinschek, Karin

    2015-02-01

    Some applications of extremely non-equilibrium oxygen plasma for tailoring the surface properties of organic as well as inorganic materials are presented. Plasma of low or moderate ionization fraction and very high dissociation fraction is created by high frequency electrodeless discharges created in chambers made from a material of low recombination coefficient. The O atom density often exceeds 1021 m-3 which allows for rapid functionalization of carbon-containing materials. Surface saturation with polar oxygen-rich groups is achieved in a fraction of a second and further exposure leads to etching. The etching is often non-uniform and results in nano-structuring of surface morphology. A combination of rich morphology and saturation with polar functional groups allows for a super-hydrophilic character of originally hydrophobic materials. Polymer composites are etched selectively so the polymer component is removed from the sample surface, leading to modified surface properties. Furthermore, such a treatment allows for distinguishing the distribution and orientation of fillers inside the polymer matrix. The exposure of inorganic materials to non-equilibrium oxygen plasma causes one-dimensional growth of metal oxide nanoparticles, thus representing a unique technique for the rapid catalyser-free growth of nanowires.

  12. Non-Equilibrium Thermodynamic Analysis on the Performance of AN Irreversible Thermally Driven Brownian Motor

    NASA Astrophysics Data System (ADS)

    Gao, Tianfu; Chen, Jincan

    Based on the general model of thermally-driven Brownian motors, an equivalent cycle system is established and the Onsager coefficients and efficiency at the maximum power output of the system are analytically calculated from non-equilibrium thermodynamics. It is found that the Onsager reciprocity relation holds and the Onsager coefficients are affected by the main irreversibilities existing in practical systems. Only when the heat leak and the kinetic energy change of the particle in the system are negligible, can the determinant of the Onsager matrix vanish. It is also found that in the frame of non-equilibrium thermodynamics, the power output and efficiency of an irreversible Brownian motor can be expressed to be the same form as those of an irreversible Carnot heat engine, so the results obtained here are of general significance. Moreover, these results are used to analyze the performance characteristics of a class of thermally-driven Brownian motors so that some important conclusions in literature may be directly derived from the present paper.

  13. Multi-Scale Microstructural Thermoelectric Materials: Transport Behavior, Non-Equilibrium Preparation, and Applications.

    PubMed

    Su, Xianli; Wei, Ping; Li, Han; Liu, Wei; Yan, Yonggao; Li, Peng; Su, Chuqi; Xie, Changjun; Zhao, Wenyu; Zhai, Pengcheng; Zhang, Qingjie; Tang, Xinfeng; Uher, Ctirad

    2017-01-23

    Considering only about one third of the world's energy consumption is effectively utilized for functional uses, and the remaining is dissipated as waste heat, thermoelectric (TE) materials, which offer a direct and clean thermal-to-electric conversion pathway, have generated a tremendous worldwide interest. The last two decades have witnessed a remarkable development in TE materials. This Review summarizes the efforts devoted to the study of non-equilibrium synthesis of TE materials with multi-scale structures, their transport behavior, and areas of applications. Studies that work towards the ultimate goal of developing highly efficient TE materials possessing multi-scale architectures are highlighted, encompassing the optimization of TE performance via engineering the structures with different dimensional aspects spanning from the atomic and molecular scales, to nanometer sizes, and to the mesoscale. In consideration of the practical applications of high-performance TE materials, the non-equilibrium approaches offer a fast and controllable fabrication of multi-scale microstructures, and their scale up to industrial-size manufacturing is emphasized here. Finally, the design of two integrated power generating TE systems are described-a solar thermoelectric-photovoltaic hybrid system and a vehicle waste heat harvesting system-that represent perhaps the most important applications of thermoelectricity in the energy conversion area.

  14. Giant THz photoconductivity and possible non-equilibrium superconductivity in metallic K3C60

    PubMed Central

    Mitrano, M.; Cantaluppi, A.; Nicoletti, D.; Kaiser, S.; Perucchi, A.; Lupi, S.; Di Pietro, P.; Pontiroli, D.; Riccò, M.; Clark, S. R.; Jaksch, D.; Cavalleri, A.

    2015-01-01

    The non-equilibrium control of emergent phenomena in solids is an important research frontier, encompassing effects like the optical enhancement of superconductivity 1 . Recently, nonlinear excitation 2 , 3 of certain phonons in bilayer cuprates was shown to induce superconducting-like optical properties at temperatures far above Tc 4,5,6. This effect was accompanied by the disruption of competing charge-density-wave correlations7,8, which explained some but not all of the experimental results. Here, we report a similar phenomenon in a very different compound. By exciting metallic K3C60 with mid-infrared optical pulses, we induce a large increase in carrier mobility, accompanied by the opening of a gap in the optical conductivity. Strikingly, these same signatures are observed at equilibrium when cooling metallic K3C60 below the superconducting transition temperature (Tc = 20 K). Although optical techniques alone cannot unequivocally identify non-equilibrium high-temperature superconductivity, we propose this scenario as a possible explanation of our results. PMID:26855424

  15. Laser induced plasma on copper target, a non-equilibrium model

    SciTech Connect

    Oumeziane, Amina Ait Liani, Bachir; Parisse, Jean-Denis

    2014-02-15

    The aim of this work is to present a comprehensive numerical model for the UV laser ablation of metal targets, it focuses mainly on the prediction of laser induced plasma thresholds, the effect of the laser-plasma interaction, and the importance of the electronic non-equilibrium in the laser induced plume and its expansion in the background gas. This paper describes a set of numerical models for laser-matter interaction between 193-248 and 355 nm lasers and a copper target. Along with the thermal effects inside the material resulting from the irradiation of the latter with the pulsed laser, the laser-evaporated matter interaction and the plasma formation are thoroughly modelled. In the laser induced plume, the electronic nonequilibrium and the laser beam absorption have been investigated. Our calculations of the plasmas ignition thresholds on copper targets have been validated and compared to experimental as well as theoretical results. Comparison with experiment data indicates that our results are in good agreement with those reported in the literature. Furthermore, the inclusion of electronic non-equilibrium in our work indicated that this important process must be included in models of laser ablation and plasma plume formation.

  16. Non-equilibrium dynamics and floral trait interactions shape extant angiosperm diversity.

    PubMed

    O'Meara, Brian C; Smith, Stacey D; Armbruster, W Scott; Harder, Lawrence D; Hardy, Christopher R; Hileman, Lena C; Hufford, Larry; Litt, Amy; Magallón, Susana; Smith, Stephen A; Stevens, Peter F; Fenster, Charles B; Diggle, Pamela K

    2016-05-11

    Why are some traits and trait combinations exceptionally common across the tree of life, whereas others are vanishingly rare? The distribution of trait diversity across a clade at any time depends on the ancestral state of the clade, the rate at which new phenotypes evolve, the differences in speciation and extinction rates across lineages, and whether an equilibrium has been reached. Here we examine the role of transition rates, differential diversification (speciation minus extinction) and non-equilibrium dynamics on the evolutionary history of angiosperms, a clade well known for the abundance of some trait combinations and the rarity of others. Our analysis reveals that three character states (corolla present, bilateral symmetry, reduced stamen number) act synergistically as a key innovation, doubling diversification rates for lineages in which this combination occurs. However, this combination is currently less common than predicted at equilibrium because the individual characters evolve infrequently. Simulations suggest that angiosperms will remain far from the equilibrium frequencies of character states well into the future. Such non-equilibrium dynamics may be common when major innovations evolve rarely, allowing lineages with ancestral forms to persist, and even outnumber those with diversification-enhancing states, for tens of millions of years.

  17. A non-equilibrium state diagram for liquid/fluid/particle mixtures.

    PubMed

    Velankar, Sachin S

    2015-11-21

    The equilibrium structures of ternary oil/water/surfactant systems are often represented within a triangular composition diagram with various regions of the triangle corresponding to different equilibrium states. We transplant this idea to ternary liquid/fluid/particle systems that are far from equilibrium. Liquid/liquid/particle mixtures or liquid/gas/particle mixtures yield a wide diversity of morphologies including Pickering emulsions, bijels, pendular aggregates, spherical agglomerates, capillary suspensions, liquid marbles, powdered liquids, and particle-stabilized foams. This paper argues that such ternary liquid/fluid/particle mixtures can be unified into a non-equilibrium state diagram. What is common among all these systems is that the morphology results from an interplay between the preferential wettability of the particles, capillarity, and viscous forces encountered during mixing. Therefore all such systems share certain universal features, regardless of the details of the particles or fluids used. These features guide the construction of a non-equilibrium state diagram which takes the form of a triangular prism, where each triangular cross-section of the prism corresponds to a different relative affinity of the particles towards the two fluids. We classify the prism into regions in which the various morphologies appear and also emphasize the major difference between systems in which the particles are fully-wetted by one of the fluids vs. partially-wetted by both fluids. We also discuss how the state diagram may change with mixing intensity or with interparticle attractions.

  18. Path-space variational inference for non-equilibrium coarse-grained systems

    SciTech Connect

    Harmandaris, Vagelis; Katsoulakis, Markos; Plecháč, Petr

    2016-06-01

    In this paper we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular simulations. The latter are ubiquitous in physicochemical and biological applications, where they are typically associated with coupling mechanisms, multi-physics and/or boundary conditions. In general the non-equilibrium steady states are not known explicitly as they do not necessarily have a Gibbs structure. The presented approach can compare microscopic behavior of molecular systems to parametric and non-parametric coarse-grained models using the relative entropy between distributions on the path space and setting up a corresponding path-space variational inference problem. The methods can become entirely data-driven when the microscopic dynamics are replaced with corresponding correlated data in the form of time series. Furthermore, we present connections and generalizations of force matching methods in coarse-graining with path-space information methods. We demonstrate the enhanced transferability of information-based parameterizations to different observables, at a specific thermodynamic point, due to information inequalities. We discuss methodological connections between information-based coarse-graining of molecular systems and variational inference methods primarily developed in the machine learning community. However, we note that the work presented here addresses variational inference for correlated time series due to the focus on dynamics. The applicability of the proposed methods is demonstrated on high-dimensional stochastic processes given by overdamped and driven Langevin dynamics of interacting particles.

  19. Non-equilibrium Steady-State Behavior in a Scale-Free Quantum Network

    NASA Astrophysics Data System (ADS)

    Zhao, Jianshi; Price, Craig; Liu, Qi; Gemelke, Nathan

    We describe the nonequilibrium dynamics of a cold atomic gas held in a spatially random optical potential and gravity, subject to a controlled amount of dissipation in the form of an extremely slow dark-state laser cooling process. Reaching local kinetic temperatures below the 100nK scale, such systems provide a novel context for observing the non-equilibrium steady-state (NESS) behavior of a disordered quantum system. For sufficiently deep potentials and strong dissipation, this system can be modeled by a self-organized version of directed percolation, and exhibits power-law decay of phase-space density with time due to the presence of absorbing clusters with a wide distribution of entropy and coupling rates. In the absence of dissipation, such a model cannot apply, and we observe the crossover to exponential loss of phase-space density. We provide measurements of the power-law decay constant by observing the non-equilibrium motion of atoms over a ten-minute period, consistent with γ = 0 . 31 +/- 0 . 04 , and extract scaling of the absorbed number with dissipation rate, showing another power-law behavior, with exponent 0 . 5 +/- 0 . 2 over two decades of optical excitation probability.

  20. Non-equilibrium colloidal assembly pathways via synergistic dipolar, depletion, and hydrodynamic interactions

    NASA Astrophysics Data System (ADS)

    Coughlan, Anna; Bevan, Michael

    The ability to assemble nano- and micro- colloidal particles into ordered materials and controllable devices provides the basis for emerging technologies. However, current capabilities for manipulating colloidal assembly are limited by the degree of order, time to generate/reconfigure structures, and scalability to large areas. These limitations are due to problems with designing, controlling, and optimizing the thermodynamics and kinetics of colloidal assembly. Our approach is to provide viable non-equilibrium pathways for rapid assembly of defect free colloidal crystals using combinations of magnetic field and depletion mediated assembly. Results include video microscopy experiments and Stokesian Dynamic computer simulations of superparamagnetic colloidal particles experiencing depletion attraction in time varying magnetic fields. Findings show multi-body hydrodynamic interactions and magnetic dipole relaxation mechanisms are essential to capture assembly and annealing of attractive colloidal crystals. With the ability to measure, model and tune colloidal interactions and dynamics, we demonstrate the use of time varying fields to manipulate non-equilibrium pathways for the assembly, disassembly, and repair of colloidal microstructures.

  1. Non-Equilibrium Dynamics of C-QED Arrays in Strong Correlation Regime

    NASA Astrophysics Data System (ADS)

    Zhang, Xin-Ding; Li, Zhi-Hang; Zhang, Xiao-Ming

    2016-11-01

    Recently increasing interests are attracted in the physics of controlled arrays of nonlinear cavity resonators because of the rapid experimental progress achieved in cavity and circuit quantum electrodynamics (QED). For a driven-dissipative two-dimentional planar C-QED array, standard Markov master equation is generally used to study the dynamics of this system. However, when in the case that the on-site photon-photon interaction enters strong correlation regime, standard Markov master equation may lead to incorrect results. In this paper we study the non-equilibrium dynamics of a two-dimentional C-QED array, which is homogeneously pumped by an external pulse, at the same time dissipation exits. We study the evolution of the average photon number of a single cavity by deriving a modified master equation to. In comparison with the standard master equation, the numerical result obtained by our newly derived master equation shows significant difference for the non-equilibrium dynamics of the system.

  2. Potential and flux field landscape theory. II. Non-equilibrium thermodynamics of spatially inhomogeneous stochastic dynamical systems

    SciTech Connect

    Wu, Wei; Wang, Jin

    2014-09-14

    We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic and thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series.

  3. Potential and flux field landscape theory. II. Non-equilibrium thermodynamics of spatially inhomogeneous stochastic dynamical systems.

    PubMed

    Wu, Wei; Wang, Jin

    2014-09-14

    We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic and thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series.

  4. Management of Spent and Disused Radiation Sources - The Zambian Experience

    SciTech Connect

    Chabala, F.

    2002-02-26

    Zambia like all other countries in the world is faced with environmental problems brought about by a variety of human activities. In Zambia the major environmental issues as identified by Nation Environmental Action Plan (NEAP) of 1994 are water pollution, poor sanitation, land degradation, air pollution, poor waste management, misuse of chemicals, wildlife depletion and deforestation. Zambian has been using a lot of radioactive materials in its various industries. The country has taken several projects with help of external partners. These partners however left these projects in the hands of the Zambians without developing their capacities to manage these radioactive sources. The Government recognized the need to manage these sources and passed legislation governing the management of radioactive materials. The first act of Parliament on Radiation Protection work was passed in 1975 to legislate the use of ionizing radiation. However, because of financial constraints the Country is facing, these regulations have remained unimplemented. Fortunately the international Community has been working in partnership with the Zambian Government in the Management of Radioactive Material. Therefore this paper will present the following aspects of radioactive waste management in Zambia: review Existing Legislation in Zambia regarding management of spent/radioactive sources; capacity building in the field of management of radioactive waste; management of spent and disused radiation sources; existing disposal systems in Zambia regarding spent/orphaned sources; existing stocks of radioactive sources in the Zambian industries.

  5. Thermal radiation field of low-temperature sources

    NASA Astrophysics Data System (ADS)

    Łakomy, T.

    1989-05-01

    The asymmetric thermal radiation field of heat sources existing in industry and in the building of apartments has been determined in this work. A description was realised by vector radiant and mean radiant temperatures ( VRT, TMR) obtaining their statistic reciprocal relationships at summer and winter terms.

  6. Coherent Cherenkov radiation as an intense THz source

    NASA Astrophysics Data System (ADS)

    Bleko, V.; Karataev, P.; Konkov, A.; Kruchinin, K.; Naumenko, G.; Potylitsyn, A.; Vaughan, T.

    2016-07-01

    Diffraction and Cherenkov radiation of relativistic electrons from a dielectric target has been proposed as mechanism for production of intense terahertz (THz) radiation. The use of an extremely short high-energy electron beam of a 4th generation light source (X-ray free electron laser) appears to be very promising. A moderate power from the electron beam can be extracted and converted into THz radiation with nearly zero absorption losses. The initial experiment on THz observation will be performed at CLARA/VELA FEL test facility in the UK to demonstrate the principle to a wider community and to develop the radiator prototype. In this paper, we present our theoretical predictions (based on the approach of polarization currents), which provides the basis for interpreting the future experimental measurements. We will also present our hardware design and discuss a plan of the future experiment.

  7. A source-attractor approach to network detection of radiation sources

    SciTech Connect

    Wu, Qishi; Barry, M. L..; Grieme, M.; Sen, Satyabrata; Rao, Nageswara S; Brooks, Richard R

    2016-01-01

    Radiation source detection using a network of detectors is an active field of research for homeland security and defense applications. We propose Source-attractor Radiation Detection (SRD) method to aggregate measurements from a network of detectors for radiation source detection. SRD method models a potential radiation source as a magnet -like attractor that pulls in pre-computed virtual points from the detector locations. A detection decision is made if a sufficient level of attraction, quantified by the increase in the clustering of the shifted virtual points, is observed. Compared with traditional methods, SRD has the following advantages: i) it does not require an accurate estimate of the source location from limited and noise-corrupted sensor readings, unlike the localizationbased methods, and ii) its virtual point shifting and clustering calculation involve simple arithmetic operations based on the number of detectors, avoiding the high computational complexity of grid-based likelihood estimation methods. We evaluate its detection performance using canonical datasets from Domestic Nuclear Detection Office s (DNDO) Intelligence Radiation Sensors Systems (IRSS) tests. SRD achieves both lower false alarm rate and false negative rate compared to three existing algorithms for network source detection.

  8. Computational studies of thermal and quantum phase transitions approached through non-equilibrium quenching

    NASA Astrophysics Data System (ADS)

    Liu, Cheng-Wei

    Phase transitions and their associated critical phenomena are of fundamental importance and play a crucial role in the development of statistical physics for both classical and quantum systems. Phase transitions embody diverse aspects of physics and also have numerous applications outside physics, e.g., in chemistry, biology, and combinatorial optimization problems in computer science. Many problems can be reduced to a system consisting of a large number of interacting agents, which under some circumstances (e.g., changes of external parameters) exhibit collective behavior; this type of scenario also underlies phase transitions. The theoretical understanding of equilibrium phase transitions was put on a solid footing with the establishment of the renormalization group. In contrast, non-equilibrium phase transition are relatively less understood and currently a very active research topic. One important milestone here is the Kibble-Zurek (KZ) mechanism, which provides a useful framework for describing a system with a transition point approached through a non-equilibrium quench process. I developed two efficient Monte Carlo techniques for studying phase transitions, one is for classical phase transition and the other is for quantum phase transitions, both are under the framework of KZ scaling. For classical phase transition, I develop a non-equilibrium quench (NEQ) simulation that can completely avoid the critical slowing down problem. For quantum phase transitions, I develop a new algorithm, named quasi-adiabatic quantum Monte Carlo (QAQMC) algorithm for studying quantum quenches. I demonstrate the utility of QAQMC quantum Ising model and obtain high-precision results at the transition point, in particular showing generalized dynamic scaling in the quantum system. To further extend the methods, I study more complex systems such as spin-glasses and random graphs. The techniques allow us to investigate the problems efficiently. From the classical perspective, using the

  9. Dynamic shadowgraph experiments and image processing techniques for investigating non-equilibrium fluctuations during free diffusion in nanocolloids

    NASA Astrophysics Data System (ADS)

    Oprisan, Ana; Leilani Payne, Alexis

    2013-03-01

    Colloids are made of particles of sizes from 1 to 1000 nm dispersed in liquid, or a gas phase dispersed in a liquid (foam), or a solid or liquid dispersed in a gas (fume and fog). Colloids are ideal systems for investigating both spatial and temporal processes using optical methods since they have particle sizes larger than the characteristic size of atomic or molecular systems. We performed small angle light scattering (SALS) experiments in order to investigate the crossover between viscosity and concentration-driven non-equilibrium fluctuations. Our SALS experimental setup involved a free diffusion cell filled with nanoparticle colloids with the concentration gradient oriented against the gravitational field and a low coherence superluminescent diode (SLD) instead of a laser as the light source. By appropriately designing the optics, the speckle size of the CCD sensor can be matched with the pixel size, which makes the CCD a large ensemble of intensity autocorrelators working in parallel. Nonequilibrium concentration-driven fluctuations in three different nanocolloidal suspensions (gold, silver, and silica) with a wide range of particle sizes were recorded using a SALS shadowgraph technique. We used both the static and dynamic structure factor algorithms for image processing in order to compute the structure factor and the correlation time of the fluctuations. The correlation time allowed us to estimate the diffusion coefficients of all three nanocolloids.

  10. The kinetics of the bimolecular A+B --> 0 reaction in condensed matter: Effects of non-equilibrium charge screening

    NASA Astrophysics Data System (ADS)

    Kuzovkov, V. N.; Kotomin, E. A.; von Niessen, W.

    1996-12-01

    The kinetics of the bimolecular A+B→0 reaction between charged reactants is studied in two dimensions, i.e., on a surface. The theory is based on the Kirkwood superposition approximation for three-particle densities and the self-consistent treatment of the electrostatic interactions defined by the non-uniform spatial distribution of similar and dissimilar reactants. Special attention is paid to pattern formation and many-particle effects arising from reaction-induced formation of loose domains containing similar reactants only. It is shown that the critical exponent α characterizing the algebraic concentration decay law, n(t)∝t-α, differs strongly between symmetric (DA=DB) and asymmetric (DA=0) reactant mobilities. This effect is abnormal from the point of view of standard chemical kinetics. It arises directly from the specific spatial distribution in the system as in ``raisins A in a dough B.'' At long reaction times the asymptotics of the interaction potentials is of non-equilibrium type at large relative distances. The accumulation kinetics in the presence of a permanent source is studied. Results of the microscopic formalism are compared with a previous mesoscopic theory.

  11. Portable radiation detection system for pulsed high energy photon sources

    SciTech Connect

    Harker, Y.D.; Lawrence, R.S.; Yoon, W.Y.

    1994-12-31

    Portable, battery-operated, radiation detection systems for measuring the intensity and energy characteristics of intense, pulsed photon sources (either high energy X-ray or gamma) have been developed at the Idaho National Engineering Laboratory. These field-deployable, suitcase-sized detection units are designed to measure and record the characteristics of a single radiation burst or multiple bursts from a pulsed ionizing radiation source. The recorded information can then be analyzed on a simple laptop computer at a location remote from the detection system and completely independent of the ongoing data acquisition process. Two detection unit designs are described. The first, called the MARK-1, has eight bismuth germanate (BGO) radiation detectors. Four of which are unshielded and have different thicknesses (diameters). The remaining four are the same size as the largest unshielded detector but have different thicknesses of lead shielding surrounding each detector. The second unit design, called the MARK-1 A, utilizes the same detection methodology as the MARK-1 but has ten BGO detectors instead of eight and utilizes a different method of amplifying detector signals enabling reduced overall size and weight of the detection unit. Both the detection system designs have sensitivity ranges from 3 x 10{sup {minus}9} cGy to 9 x 10{sup {minus}5} cGy per radiation burst. Experimental detection results will be presented and discussed along the systems` potential for commercial applications.

  12. Light-emitting diodes as a radiation source for plants

    NASA Technical Reports Server (NTRS)

    Bula, R. J.; Morrow, R. C.; Tibbitts, T. W.; Barta, D. J.; Ignatius, R. W.; Martin, T. S.

    1991-01-01

    Development of a more effective radiation source for use in plant-growing facilities would be of significant benefit for both research and commercial crop production applications. An array of light-emitting diodes (LEDs) that produce red radiation, supplemented with a photosynthetic photon flux (PPF) of 30 micromoles s-1 m-2 in the 400- to 500-nm spectral range from blue fluorescent lamps, was used effectively as a radiation source for growing plants. Growth of lettuce (Lactuca sativa L. Grand Rapids') plants maintained under the LED irradiation system at a total PPF of 325 micromoles s-1 m-2 for 21 days was equivalent to that reported in the literature for plants grown for the same time under cool-white fluorescent and incandescent radiation sources. Characteristics of the plants, such as leaf shape, color, and texture, were not different from those found with plants grown under cool-white fluorescent lamps. Estimations of the electrical energy conversion efficiency of a LED system for plant irradiation suggest that it may be as much as twice that published for fluorescent systems.

  13. Radiation thermometer size-of-source effect testing using aperture

    SciTech Connect

    Liebmann, F.; Kolat, T.

    2013-09-11

    Size-of-source effect is an important attribute of any radiation thermometer. The effects of this attribute may be quantified in a number of different ways to include field-of-view, distance ratio, or size-of-source effect. These parameters provide needed information for the user of a radiation thermometer, as they aid in determining whether the measured object is large enough for adequate radiation thermometry measurement. Just as important, these parameters provide needed information for calibration. This information helps to determine calibration geometry, and it is needed for calibration uncertainty determination. For determination of size-of-source effect, there are a limited number of test methods furnished by the standards available today. The test methods available may be cumbersome to perform due to the cost of the required equipment and the time needed to set-up and perform the test. Other methods have been proposed. This paper discusses one such method. This method uses a circular aperture such as that used in radiation thermometer calibration. It describes the method both theoretically and mechanically. It then discusses testing done to verify this method comparing the results to those obtained while performing steps in current standards. Finally, based on this testing, the basis for a new standard test method is presented.

  14. Nuisance Source Population Modeling for Radiation Detection System Analysis

    SciTech Connect

    Sokkappa, P; Lange, D; Nelson, K; Wheeler, R

    2009-10-05

    A major challenge facing the prospective deployment of radiation detection systems for homeland security applications is the discrimination of radiological or nuclear 'threat sources' from radioactive, but benign, 'nuisance sources'. Common examples of such nuisance sources include naturally occurring radioactive material (NORM), medical patients who have received radioactive drugs for either diagnostics or treatment, and industrial sources. A sensitive detector that cannot distinguish between 'threat' and 'benign' classes will generate false positives which, if sufficiently frequent, will preclude it from being operationally deployed. In this report, we describe a first-principles physics-based modeling approach that is used to approximate the physical properties and corresponding gamma ray spectral signatures of real nuisance sources. Specific models are proposed for the three nuisance source classes - NORM, medical and industrial. The models can be validated against measured data - that is, energy spectra generated with the model can be compared to actual nuisance source data. We show by example how this is done for NORM and medical sources, using data sets obtained from spectroscopic detector deployments for cargo container screening and urban area traffic screening, respectively. In addition to capturing the range of radioactive signatures of individual nuisance sources, a nuisance source population model must generate sources with a frequency of occurrence consistent with that found in actual movement of goods and people. Measured radiation detection data can indicate these frequencies, but, at present, such data are available only for a very limited set of locations and time periods. In this report, we make more general estimates of frequencies for NORM and medical sources using a range of data sources such as shipping manifests and medical treatment statistics. We also identify potential data sources for industrial source frequencies, but leave the task of

  15. The Influence of Trapped Ions and Non-equilibrium EDF on Dust Particle Charging

    SciTech Connect

    Sukhinin, G. I.; Fedoseev, A. V.; Antipov, S. N.; Petrov, O. F.; Fortov, V. E.

    2008-09-07

    Dust particles charging in a low-pressure glow discharge was investigated theoretically with the help of model for trapped and free ions coupled with the self-consistent solution of Poisson equation for electric potential. Non-equilibrium (non-Maxwellian) character of electron energy distribution function depending on gas pressure and electric field was also taken into account on the basis of the solution of kinetic Boltzmann equation. The results were compared with the experimental measurements of dust particle charge depending on gas pressure. It was shown that the calculated effective charge, i.e. the difference of the dust particle charge and trapped ion charge, is in a fairly good agreement with the experimental data.

  16. Manipulating energy and spin currents in non-equilibrium systems of interacting qubits

    NASA Astrophysics Data System (ADS)

    Popkov, V.; Livi, R.

    2013-02-01

    We consider a generic interacting chain of qubits, which are coupled at the edges to baths of fixed polarizations. We can determine the non-equilibrium steady states, described by the fixed point of the Lindblad master equation. Under rather general assumptions about local pumping and interactions, symmetries of the reduced density matrix are revealed. The symmetries drastically restrict the form of the steady density matrices in such a way that an exponentially large subset of one-point and many-point correlation functions are found to vanish. As an example we show how in a Heisenberg spin chain a suitable choice of the baths can completely switch off either the spin or the energy current, or both of them, despite the presence of large boundary gradients.

  17. Atmospheric Pressure Non-Equilibrium Plasma as a Green Tool to Crosslink Gelatin Nanofibers

    PubMed Central

    Liguori, Anna; Bigi, Adriana; Colombo, Vittorio; Focarete, Maria Letizia; Gherardi, Matteo; Gualandi, Chiara; Oleari, Maria Chiara; Panzavolta, Silvia

    2016-01-01

    Electrospun gelatin nanofibers attract great interest as a natural biomaterial for cartilage and tendon repair despite their high solubility in aqueous solution, which makes them also difficult to crosslink by means of chemical agents. In this work, we explore the efficiency of non-equilibrium atmospheric pressure plasma in stabilizing gelatin nanofibers. We demonstrate that plasma represents an innovative, easy and environmentally friendly approach to successfully crosslink gelatin electrospun mats directly in the solid state. Plasma treated gelatin mats display increased structural stability and excellent retention of fibrous morphology after immersion in aqueous solution. This method can be successfully applied to induce crosslinking both in pure gelatin and genipin-containing gelatin electrospun nanofibers, the latter requiring an even shorter plasma exposure time. A complete characterization of the crosslinked nanofibres, including mechanical properties, morphological observations, stability in physiological solution and structural modifications, has been carried out in order to get insights on the occurring reactions triggered by plasma. PMID:27924840

  18. Visualizing non-equilibrium lithiation of spinel oxide via in situ transmission electron microscopy.

    PubMed

    He, Kai; Zhang, Sen; Li, Jing; Yu, Xiqian; Meng, Qingping; Zhu, Yizhou; Hu, Enyuan; Sun, Ke; Yun, Hongseok; Yang, Xiao-Qing; Zhu, Yimei; Gan, Hong; Mo, Yifei; Stach, Eric A; Murray, Christopher B; Su, Dong

    2016-05-09

    Spinel transition metal oxides are important electrode materials for lithium-ion batteries, whose lithiation undergoes a two-step reaction, whereby intercalation and conversion occur in a sequential manner. These two reactions are known to have distinct reaction dynamics, but it is unclear how their kinetics affects the overall electrochemical response. Here we explore the lithiation of nanosized magnetite by employing a strain-sensitive, bright-field scanning transmission electron microscopy approach. This method allows direct, real-time, high-resolution visualization of how lithiation proceeds along specific reaction pathways. We find that the initial intercalation process follows a two-phase reaction sequence, whereas further lithiation leads to the coexistence of three distinct phases within single nanoparticles, which has not been previously reported to the best of our knowledge. We use phase-field theory to model and describe these non-equilibrium reaction pathways, and to directly correlate the observed phase evolution with the battery's discharge performance.

  19. Accelerated self-replication under non-equilibrium, periodic energy delivery.

    PubMed

    Zhang, Rui; Walker, David A; Grzybowski, Bartosz A; Olvera de la Cruz, Monica

    2014-01-03

    Self-replication is a remarkable phenomenon in nature that has fascinated scientists for decades. In a self-replicating system, the original units are attracted to a template, which induce their binding. In equilibrium, the energy required to disassemble the newly assembled copy from the mother template is supplied by thermal energy. The possibility of optimizing self-replication was explored by controlling the frequency at which energy is supplied to the system. A model system inspired by a class of light-switchable colloids was considered where light is used to control the interactions. Conditions under which self-replication can be significantly more effective under non-equilibrium, cyclic energy delivery than under equilibrium constant energy conditions were identified. Optimal self-replication does not require constant energy expenditure. Instead, the proper timing at which energy is delivered to the system is an essential controllable parameter to induce high replication rates.

  20. Effects of non-equilibrium particle distributions in deuterium-tritium burning

    SciTech Connect

    Michta, D; Graziani, F; Pruet, J; Luu, T

    2009-08-18

    We investigate the effects of non-equilibrium particle distributions resulting from rapid deuterium-tritium burning in plasmas using a Fokker-Planck code that incorporates small-angle Coulomb scattering, Brehmsstrahlung, Compton scattering, and thermal-nuclear burning. We find that in inertial confinement fusion environments, deviations away from Maxwellian distributions for either deuterium or tritium ions are small and result in 1% changes in the energy production rates. The deuterium and tritium effective temperatures are not equal, but differ by only about 2.5% near the time of peak burn rate. Simulations with high Z (Xe) dopants show that the dopant temperature closely tracks that of the fuel. On the other hand, fusion product ion distributions are highly non-Maxwellian, and careful treatments of energy-exchange between these ions and other particles is important for determining burn rates.

  1. Gaussian-inspired auxiliary non-equilibrium thermostat (GIANT) for Dissipative Particle Dynamics simulations

    NASA Astrophysics Data System (ADS)

    Jamali, Safa; Boromand, Arman; Khani, Shaghayegh; Maia, Joao

    2015-12-01

    We present in this letter an auxiliary thermostat for non-equilibrium simulations in Dissipative Particle Dynamics based on the Gaussian distribution of particle velocities in the fluid. We demonstrate the ability of the thermostat to maintain the temperature under a wide range of shear rates and dissipative parameters, and to extend the shear rate window accessible by DPD significantly. The effect of proposed method on the viscosity of a DPD fluid is studied which is particularly of interest when the rheological behavior of a complex fluids is subject of DPD simulations. Furthermore, performance of the proposed method is compared to the ones from the well-known Lowe-Andersen scheme in regards to temperature and viscosity measurements.

  2. Manipulating shear-induced non-equilibrium transitions in colloidal films by feedback control.

    PubMed

    Vezirov, Tarlan A; Gerloff, Sascha; Klapp, Sabine H L

    2015-01-14

    Using Brownian Dynamics (BD) simulations we investigate non-equilibrium transitions of sheared colloidal films under controlled shear stress σxz. In our approach the shear rate [small gamma, Greek, dot above] is a dynamical variable, which relaxes on a time scale τc such that the instantaneous, configuration-dependent stress σxz(t) approaches a pre-imposed value. Investigating the dynamics under this "feedback-control" scheme we find unique behavior in regions where the flow curve σxz([small gamma, Greek, dot above]) of the uncontrolled system is monotonic. However, in non-monotonic regions our method allows to select between dynamical states characterized by different in-plane structure and viscosities. Indeed, the final state strongly depends on τc relative to an intrinsic relaxation time of the uncontrolled system. The critical values of τc are estimated on the basis of a simple model.

  3. The voltage limitation for phase coherence experiments: non-equilibrium effects versus Joule heating

    NASA Astrophysics Data System (ADS)

    Linke, H.; Omling, P.; Xu, Hongqi; Lindelof, P. E.

    1996-12-01

    The breaking of phase coherence of electrons by a finite bias voltage is studied in a quasi-one-dimensional electron gas. Although the wire is longer than the energy relaxation length we find that Joule heating in the wire is not important for dephasing of non-equilibrium electrons. Instead, phase breaking occurs by electron-electron interaction due to the excess energy of the injected electrons with respect to the Fermi energy. The relevant limiting parameter for phase coherence is, therefore, the bias voltage, rather than the dissipated power. A model calculation suggests that our results are of general relevance for coherence experiments in one-dimensional geometry on length scales of the same order of magnitude as the energy relaxation length.

  4. On the non-equilibrium dynamics of cavitation around the underwater projectile in variable motion

    NASA Astrophysics Data System (ADS)

    Chen, Y.; Lu, C. J.; Li, J.; Chen, X.; Gong, Z. X.

    2015-12-01

    In this work, the dynamic behavior of the non-equilibrium cavitation occurring around the underwater projectiles navigating with variable speed was numerically and theoretically investigated. The cavity collapse induced by the decelerating motion of the projectiles can be classified into two types: periodic oscillation and damped oscillation. In each type the evolution of the total mass of vapor in cavity are found to have strict correlation with the pressure oscillation in far field. By defining the equivalent radius of cavity, we introduce the specific kinetic energy of collapse and demonstrate that its change-rate is in good agreement with the pressure disturbance. We numerically investigated the influence of angle of attack on the collapse effect. The result shows that when the projectile decelerates, an asymmetric-focusing effect of the pressure induced by collapse occurs on its pressure side. We analytically explained such asymmetric-focusing effect.

  5. Atmospheric Pressure Non-Equilibrium Plasma as a Green Tool to Crosslink Gelatin Nanofibers.

    PubMed

    Liguori, Anna; Bigi, Adriana; Colombo, Vittorio; Focarete, Maria Letizia; Gherardi, Matteo; Gualandi, Chiara; Oleari, Maria Chiara; Panzavolta, Silvia

    2016-12-07

    Electrospun gelatin nanofibers attract great interest as a natural biomaterial for cartilage and tendon repair despite their high solubility in aqueous solution, which makes them also difficult to crosslink by means of chemical agents. In this work, we explore the efficiency of non-equilibrium atmospheric pressure plasma in stabilizing gelatin nanofibers. We demonstrate that plasma represents an innovative, easy and environmentally friendly approach to successfully crosslink gelatin electrospun mats directly in the solid state. Plasma treated gelatin mats display increased structural stability and excellent retention of fibrous morphology after immersion in aqueous solution. This method can be successfully applied to induce crosslinking both in pure gelatin and genipin-containing gelatin electrospun nanofibers, the latter requiring an even shorter plasma exposure time. A complete characterization of the crosslinked nanofibres, including mechanical properties, morphological observations, stability in physiological solution and structural modifications, has been carried out in order to get insights on the occurring reactions triggered by plasma.

  6. The asymmetric simple exclusion process: an integrable model for non-equilibrium statistical mechanics

    NASA Astrophysics Data System (ADS)

    Golinelli, Olivier; Mallick, Kirone

    2006-10-01

    The asymmetric simple exclusion process (ASEP) plays the role of a paradigm in non-equilibrium statistical mechanics. We review exact results for the ASEP obtained by the Bethe ansatz and put emphasis on the algebraic properties of this model. The Bethe equations for the eigenvalues of the Markov matrix of the ASEP are derived from the algebraic Bethe ansatz. Using these equations we explain how to calculate the spectral gap of the model and how global spectral properties such as the existence of multiplets can be predicted. An extension of the Bethe ansatz leads to an analytic expression for the large deviation function of the current in the ASEP that satisfies the Gallavotti-Cohen relation. Finally, we describe some variants of the ASEP that are also solvable by the Bethe ansatz.

  7. Impurity-tuned non-equilibrium phase transition in a bacterial carpet

    NASA Astrophysics Data System (ADS)

    Hsiao, Yi-Teng; Wu, Kuan-Ting; Uchida, Nariya; Woon, Wei-Yen

    2016-05-01

    The effects of impurity on the non-equilibrium phase transition in Vibrio alginolyticus bacterial carpets are investigated through a position-sensitive-diode implemented optical tweezers-microsphere assay. The collective flow increases abruptly as we increase the rotation rate of flagella via Na+ concentration. The effects of impurities on the transition behavior are examined by mixing cells of a wild type strain (VIO5) with cells of a mutant strain (NMB136) in different swimming patterns. For dilute impurities, the transition point is shifted toward higher Na+ concentration. Increasing the impurities' ratio to over 0.25 leads to a significant drop in the collective force, suggesting a partial orientational order with a smaller correlation length.

  8. Non-equilibrium work distributions from fluctuating lattice-Boltzmann model

    NASA Astrophysics Data System (ADS)

    Nasarayya Chari, S. Siva; Murthy, K. P. N.

    2012-06-01

    We switch a system from an equilibrium to a non-equilibrium state, by changing the value of a macroscopic control variable as per a specified protocol. The distribution of work performed during the process is obtained for various switching times. The free energy difference (ΔF) is determined from the work fluctuation relation. Some of the work values in the ensemble shall be less than ΔF. We term these as the second law violating switching. We employ fluctuating lattice-Boltzmann model to simulate a switching experiment on an ideal gas system. Our results show that, the probability of violation of second law increases as the switching time increases and in the reversible limit goes to one-half. We explain this result by invoking Callen-Welton theorem.

  9. Atmospheric Pressure Non-Equilibrium Plasma as a Green Tool to Crosslink Gelatin Nanofibers

    NASA Astrophysics Data System (ADS)

    Liguori, Anna; Bigi, Adriana; Colombo, Vittorio; Focarete, Maria Letizia; Gherardi, Matteo; Gualandi, Chiara; Oleari, Maria Chiara; Panzavolta, Silvia

    2016-12-01

    Electrospun gelatin nanofibers attract great interest as a natural biomaterial for cartilage and tendon repair despite their high solubility in aqueous solution, which makes them also difficult to crosslink by means of chemical agents. In this work, we explore the efficiency of non-equilibrium atmospheric pressure plasma in stabilizing gelatin nanofibers. We demonstrate that plasma represents an innovative, easy and environmentally friendly approach to successfully crosslink gelatin electrospun mats directly in the solid state. Plasma treated gelatin mats display increased structural stability and excellent retention of fibrous morphology after immersion in aqueous solution. This method can be successfully applied to induce crosslinking both in pure gelatin and genipin-containing gelatin electrospun nanofibers, the latter requiring an even shorter plasma exposure time. A complete characterization of the crosslinked nanofibres, including mechanical properties, morphological observations, stability in physiological solution and structural modifications, has been carried out in order to get insights on the occurring reactions triggered by plasma.

  10. Gravity effects on Soret-induced non-equilibrium fluctuations in ternary mixtures.

    PubMed

    Martínez Pancorbo, Pablo; Ortiz de Zárate, José M; Bataller, Henri; Croccolo, Fabrizio

    2017-02-01

    We discuss the gravity effects on the dynamics of composition fluctuations in a ternary mixture around the non-equilibrium quiescent state induced by thermodiffusion when subjected to a stationary temperature gradient. We found that the autocorrelation matrix of concentration fluctuations can be expressed as the sum of two exponentially decaying concentration modes. Without accounting for confinement, we obtained exact analytical expressions for the two decay rates which, as a consequence of gravity, display a wave-number-dependent mixing. The stability of the quiescent solution is also examined, as a function of the two solutal Rayleigh numbers used to express the decay rates. After having discussed the dynamics of the two concentration modes, we calculate the corresponding amplitudes. Consequences for optical experiments are discussed.

  11. Non-equilibrium tunneling in zigzag graphene nanoribbon break-junction results in spin filtering

    NASA Astrophysics Data System (ADS)

    Jiang, Liming; Qiu, Wanzhi; Sharafat Hossain, Md; Al-Dirini, Feras; Evans, Robin; Skafidas, Efstratios

    2016-02-01

    Spintronic devices promise new faster and lower energy-consumption electronic systems. Graphene, a versatile material and candidate for next generation electronics, is known to possess interesting spintronic properties. In this paper, by utilizing density functional theory and non-equilibrium green function formalism, we show that Fano resonance can be generated by introducing a break junction in a zigzag graphene nanoribbon (ZGNR). Using this effect, we propose a new spin filtering device that can be used for spin injection. Our theoretical results indicate that the proposed device could achieve high spin filtering efficiency (over 90%) at practical fabrication geometries. Furthermore, our results indicate that the ZGNR break junction lattice configuration can dramatically affect spin filtering efficiency and thus needs to be considered when fabricating real devices. Our device can be fabricated on top of spin transport channel and provides good integration between spin injection and spin transport.

  12. Thermal Non-equilibrium Revealed by Periodic Pulses of Random Amplitudes in Solar Coronal Loops

    NASA Astrophysics Data System (ADS)

    Auchère, F.; Froment, C.; Bocchialini, K.; Buchlin, E.; Solomon, J.

    2016-08-01

    We recently detected variations in extreme ultraviolet intensity in coronal loops repeating with periods of several hours. Models of loops including stratified and quasi-steady heating predict the development of a state of thermal non-equilibrium (TNE): cycles of evaporative upflows at the footpoints followed by falling condensations at the apex. Based on Fourier and wavelet analysis, we demonstrate that the observed periodic signals are indeed not signatures of vibrational modes. Instead, superimposed on the power law expected from the stochastic background emission, the power spectra of the time series exhibit the discrete harmonics and continua expected from periodic trains of pulses of random amplitudes. These characteristics reinforce our earlier interpretation of these pulsations as being aborted TNE cycles.

  13. Chemical Cycle Kinetics: Removing the Limitation of Linearity of a Non-equilibrium Thermodynamic Description

    NASA Astrophysics Data System (ADS)

    Rubi, J. M.; Bedeaux, D.; Kjelstrup, S.; Pagonabarraga, I.

    2013-07-01

    Chemical cycle kinetics is customarily analyzed by means of the law of mass action which describes how the concentrations of the substances vary with time. The connection of this approach with non-equilibrium thermodynamics (NET) has traditionally been restricted to the linear domain close to equilibrium in which the reaction rates are linear functions of the affinities. We show, by a pertinent formulation of the concept of local equilibrium in the mesoscopic description along the reaction coordinates, that the connection between kinetic and thermodynamic approaches is deeper than thought and holds in the nonlinear domain far from equilibrium, for higher values of the affinity. This new perspective indicates how to overcome the inherent limitation of classical NET in treating cyclic reactions, providing a description of closed and open cycles operating far from equilibrium, in accordance with thermodynamic principles. We propose that the new set of equations are tested and used for data reduction in chemical reaction kinetics.

  14. Photon number statistics uncover the fluctuations in non-equilibrium lattice dynamics

    PubMed Central

    Esposito, Martina; Titimbo, Kelvin; Zimmermann, Klaus; Giusti, Francesca; Randi, Francesco; Boschetto, Davide; Parmigiani, Fulvio; Floreanini, Roberto; Benatti, Fabio; Fausti, Daniele

    2015-01-01

    Fluctuations of the atomic positions are at the core of a large class of unusual material properties ranging from quantum para-electricity to high temperature superconductivity. Their measurement in solids is the subject of an intense scientific debate focused on seeking a methodology capable of establishing a direct link between the variance of the atomic displacements and experimentally measurable observables. Here we address this issue by means of non-equilibrium optical experiments performed in shot-noise-limited regime. The variance of the time-dependent atomic positions and momenta is directly mapped into the quantum fluctuations of the photon number of the scattered probing light. A fully quantum description of the non-linear interaction between photonic and phononic fields is benchmarked by unveiling the squeezing of thermal phonons in α-quartz. PMID:26690958

  15. Non-equilibrium tunneling in zigzag graphene nanoribbon break-junction results in spin filtering

    SciTech Connect

    Jiang, Liming; Qiu, Wanzhi; Sharafat Hossain, Md; Al-Dirini, Feras; Skafidas, Efstratios; Evans, Robin

    2016-02-07

    Spintronic devices promise new faster and lower energy-consumption electronic systems. Graphene, a versatile material and candidate for next generation electronics, is known to possess interesting spintronic properties. In this paper, by utilizing density functional theory and non-equilibrium green function formalism, we show that Fano resonance can be generated by introducing a break junction in a zigzag graphene nanoribbon (ZGNR). Using this effect, we propose a new spin filtering device that can be used for spin injection. Our theoretical results indicate that the proposed device could achieve high spin filtering efficiency (over 90%) at practical fabrication geometries. Furthermore, our results indicate that the ZGNR break junction lattice configuration can dramatically affect spin filtering efficiency and thus needs to be considered when fabricating real devices. Our device can be fabricated on top of spin transport channel and provides good integration between spin injection and spin transport.

  16. Entropy analysis on non-equilibrium two-phase flow models

    SciTech Connect

    Karwat, H.; Ruan, Y.Q.

    1995-09-01

    A method of entropy analysis according to the second law of thermodynamics is proposed for the assessment of a class of practical non-equilibrium two-phase flow models. Entropy conditions are derived directly from a local instantaneous formulation for an arbitrary control volume of a structural two-phase fluid, which are finally expressed in terms of the averaged thermodynamic independent variables and their time derivatives as well as the boundary conditions for the volume. On the basis of a widely used thermal-hydraulic system code it is demonstrated with practical examples that entropy production rates in control volumes can be numerically quantified by using the data from the output data files. Entropy analysis using the proposed method is useful in identifying some potential problems in two-phase flow models and predictions as well as in studying the effects of some free parameters in closure relationships.

  17. A non-equilibrium thermodynamics model of multicomponent mass and heat transport in pervaporation processes

    NASA Astrophysics Data System (ADS)

    Villaluenga, Juan P. G.; Kjelstrup, Signe

    2012-12-01

    The framework of non-equilibrium thermodynamics (NET) is used to derive heat and mass transport equations for pervaporation of a binary mixture in a membrane. In this study, the assumption of equilibrium of the sorbed phase in the membrane and the adjacent phases at the feed and permeate sides of the membrane is abandoned, defining the interface properties using local equilibrium. The transport equations have been used to model the pervaporation of a water-ethanol mixture, which is typically encountered in the dehydration of organics. The water and ethanol activities and temperature profiles are calculated taking mass and heat coupling effects and surfaces into account. The NET approach is deemed good because the temperature results provided by the model are comparable to experimental results available for water-alcohol systems.

  18. Collective Flocking Dynamics: Long Rang Order in a Non-Equilibrium 2D XY Model

    NASA Astrophysics Data System (ADS)

    Tu, Yuhai

    1996-03-01

    We propose and study a non-equilibrium continuum dynamical model for the collective motion of large groups of biological organisms (e.g., flocks of birds, slime molds, schools of fishs, etc.) (J. Toner and Y. Tu, Phys. Rev. Lett.), 75(23), 4326(1995) Our model becomes highly non-trivial, and different from the equilibrium model, for d

  19. Non-equilibrium Green's functions method: Non-trivial and disordered leads

    NASA Astrophysics Data System (ADS)

    He, Yu; Wang, Yu; Klimeck, Gerhard; Kubis, Tillmann

    2014-11-01

    The non-equilibrium Green's function algorithm requires contact self-energies to model charge injection and extraction. All existing approaches assume infinitely periodic leads attached to a possibly quite complex device. This contradicts today's realistic devices in which contacts are spatially inhomogeneous, chemically disordered, and impacting the overall device characteristics. This work extends the complex absorbing potentials method for arbitrary, ideal, or non-ideal leads in atomistic tight binding representation. The algorithm is demonstrated on a Si nanowire with periodic leads, a graphene nanoribbon with trumpet shape leads, and devices with leads of randomly alloyed Si0.5Ge0.5. It is found that alloy randomness in the leads can reduce the predicted ON-state current of Si0.5Ge0.5 transistors by 45% compared to conventional lead methods.

  20. Non-equilibrium molecular dynamics simulations of spall in single crystal tantalum

    NASA Astrophysics Data System (ADS)

    Hahn, Eric N.; Germann, Timothy C.; Ravelo, Ramon J.; Hammerberg, James E.; Meyers, Marc A.

    2017-01-01

    Ductile tensile failure of tantalum is examined through large scale non-equilibrium molecular dynamics simulations. Several loading schemes including flyer plate impact, decaying shock loading via a frozen piston, and quasi-isentropic (constant strain-rate) expansion are employed to span tensile strain-rates of 108 to 1014 per second. Single crystals of <001> orientation are specifically evaluated to eliminate grain boundary effects. Heterogeneous void nucleation occurs principally at the intersection of deformation twins in single crystals. At high strain rates, multiple spall events occur throughout the material and voids continue to nucleate until relaxation waves arrive from adjacent events. At ultra-high strain rates, those approaching or exceeding the atomic vibrational frequency, spall strength saturates near the maximum theoretical spall strength.

  1. Noise analysis of coaxial Schottky barrier carbon nanotube fets using non equilibrium Green's function formalism

    NASA Astrophysics Data System (ADS)

    Hassaninia, Iman; Ghayour, Rahim; Abiri, Habib; Sheikhi, Mohammad

    2009-12-01

    The effect of noise on the performance of Schottky Barrier Carbon Nanotube Field Effect Transistors (SB-CNTFETs) has been investigated under various bias conditions. In order to calculate the noise power spectral density, the Non-Equilibrium Green's Function formalism (NEGF) is used to obtain the transmission coefficient and the number of carriers inside the channel. Results are presented in two sections: In the first section the Hooge's empirical rule is used to investigate the flicker noise properties of SB-CNTFETs with defects in the gate oxide region, while in the second section the thermal and shot noise properties of SB-CNTFETs are studied. Finally, the best bias points in the ON and OFF states have been suggested according to the total noise power spectral density and the device signal to noise ratio.

  2. Non-equilibrium simulation of CH4 production through the depressurization method from gas hydrate reservoirs

    NASA Astrophysics Data System (ADS)

    Qorbani, Khadijeh; Kvamme, Bjørn

    2016-04-01

    Natural gas hydrates (NGHs) in nature are formed from various hydrate formers (i.e. aqueous, gas, and adsorbed phases). As a result, due to Gibbs phase rule and the combined first and second laws of thermodynamics CH4-hydrate cannot reach thermodynamic equilibrium in real reservoir conditions. CH4 is the dominant component in NGH reservoirs. It is formed as a result of biogenic degradation of biological material in the upper few hundred meters of subsurface. It has been estimated that the amount of fuel-gas reserve in NGHs exceed the total amount of fossil fuel explored until today. Thus, these reservoirs have the potential to satisfy the energy requirements of the future. However, released CH4 from dissociated NGHs could find its way to the atmosphere and it is a far more aggressive greenhouse gas than CO2, even though its life-time is shorter. Lack of reliable field data makes it difficult to predict the production potential, as well as safety of CH4 production from NGHs. Computer simulations can be used as a tool to investigate CH4 production through different scenarios. Most hydrate simulators within academia and industry treat hydrate phase transitions as an equilibrium process and those which employ the kinetic approach utilize simple laboratory data in their models. Furthermore, it is typical to utilize a limited thermodynamic description where only temperature and pressure projections are considered. Another widely used simplification is to assume only a single route for the hydrate phase transitions. The non-equilibrium nature of hydrate indicates a need for proper kinetic models to describe hydrate dissociation and reformation in the reservoir with respect to thermodynamics variables, CH4 mole-fraction, pressure and temperature. The RetrasoCodeBright (RCB) hydrate simulator has previously been extended to model CH4-hydrate dissociation towards CH4 gas and water. CH4-hydrate is added to the RCB data-base as a pseudo mineral. Phase transitions are treated

  3. Approximate solutions for half-dark solitons in spinor non-equilibrium Polariton condensates

    SciTech Connect

    Pinsker, Florian

    2015-11-15

    In this work I generalize and apply an analytical approximation to analyze 1D states of non-equilibrium spinor polariton Bose–Einstein condensates (BEC). Solutions for the condensate wave functions carrying black solitons and half-dark solitons are presented. The derivation is based on the non-conservative Lagrangian formalism for complex Ginzburg–Landau type equations (cGLE), which provides ordinary differential equations for the parameters of the dark soliton solutions in their dynamic environment. Explicit expressions for the stationary dark soliton solution are stated. Subsequently the method is extended to spin sensitive polariton condensates, which yields ordinary differential equations for the parameters of half-dark solitons. Finally a stationary case with explicit expressions for half-dark solitons is presented.

  4. Non-equilibrium 8π Josephson effect in atomic Kitaev wires

    PubMed Central

    Laflamme, C.; Budich, J. C.; Zoller, P.; Dalmonte, M.

    2016-01-01

    The identification of fractionalized excitations, such as Majorana quasi-particles, would be a striking signal of the realization of exotic quantum states of matter. While the paramount demonstration of such excitations would be a probe of their non-Abelian statistics via controlled braiding operations, alternative proposals exist that may be easier to access experimentally. Here we identify a signature of Majorana quasi-particles, qualitatively different from the behaviour of a conventional superconductor, which can be detected in cold atom systems using alkaline-earth-like atoms. The system studied is a Kitaev wire interrupted by an extra site, which gives rise to super-exchange coupling between two Majorana-bound states. We show that this system hosts a tunable, non-equilibrium Josephson effect with a characteristic 8π periodicity of the Josephson current. The visibility of the 8π periodicity of the Josephson current is then studied including the effects of dephasing and particle losses. PMID:27481540

  5. Damage of Honeybee Colonies and Non-Equilibrium Percolation Phase Transition

    NASA Astrophysics Data System (ADS)

    Zhang, Peipei; Su, Beibei; He, Da-Ren

    Recently the mechanism of the damage caused by invasion of Apis mellifera capensis honeybee into the normal A. M. Scutellata colonies became interesting for scientists due to the fact that the mechanism may resemble those of cancer vicious hyperplasia, spreading of some epidemic, and turbulence of society induced by some bad society groups. We suggest a new guess that losing control of self-reproduction disturbs and throws information structure of the society into confuse. We simulate the damage process with a cellular automata based on the guess. The simulation shows that the process is equivalent to a non-equilibrium percolation phase transition. This discussion remind us that the management and monitor on the information network between society members may be a more effective way for avoiding the overflow of the destructor sub-colonies.

  6. Collision integrals for charged-charged interaction in two-temperature non-equilibrium plasma

    SciTech Connect

    Ghorui, S.; Das, A. K.

    2013-09-15

    Choice of an appropriate form of shielding distance in the estimation of collision integrals under screened coulomb potential for two-temperature non-equilibrium plasma is addressed. Simple expressions for collision integrals for charged-charged interactions are derived. It is shown that while some of the formalisms used earlier completely ignore the presence of ions, the others incorporating it may result in negative collision integrals for the interactions involving particles at higher charged states. The parametric regimes of concern and impact of different formalisms on the computed transport properties are investigated with specific reference to nitrogen plasma. A revised definition of the shielding distance is proposed, which incorporates both electrons and ions, avoids the problem of negative collision integrals in all practical regimes of interest and results in calculated property values in close agreement with experimentally observed results.

  7. Non-equilibrium Green function method: theory and application in simulation of nanometer electronic devices

    NASA Astrophysics Data System (ADS)

    Do, Van-Nam

    2014-09-01

    We review fundamental aspects of the non-equilibrium Green function method in the simulation of nanometer electronic devices. The method is implemented into our recently developed computer package OPEDEVS to investigate transport properties of electrons in nano-scale devices and low-dimensional materials. Concretely, we present the definition of the four real-time Green functions, the retarded, advanced, lesser and greater functions. Basic relations among these functions and their equations of motion are also presented in detail as the basis for the performance of analytical and numerical calculations. In particular, we review in detail two recursive algorithms, which are implemented in OPEDEVS to solve the Green functions defined in finite-size opened systems and in the surface layer of semi-infinite homogeneous ones. Operation of the package is then illustrated through the simulation of the transport characteristics of a typical semiconductor device structure, the resonant tunneling diodes.

  8. An alternative order-parameter for non-equilibrium generalized spin models on honeycomb lattices

    NASA Astrophysics Data System (ADS)

    Sastre, Francisco; Henkel, Malte

    2016-04-01

    An alternative definition for the order-parameter is proposed, for a family of non-equilibrium spin models with up-down symmetry on honeycomb lattices, and which depends on two parameters. In contrast to the usual definition, our proposal takes into account that each site of the lattice can be associated with a local temperature which depends on the local environment of each site. Using the generalised voter motel as a test case, we analyse the phase diagram and the critical exponents in the stationary state and compare the results of the standard order-parameter with the ones following from our new proposal, on the honeycomb lattice. The stationary phase transition is in the Ising universality class. Finite-size corrections are also studied and the Wegner exponent is estimated as ω =1.06(9).

  9. Non-equilibrium physics and evolution—adaptation, extinction, and ecology: a Key Issues review

    NASA Astrophysics Data System (ADS)

    Kussell, E.; Vucelja, M.

    2014-10-01

    Evolutionary dynamics in nature constitute an immensely complex non-equilibrium process. We review the application of physical models of evolution, by focusing on adaptation, extinction, and ecology. In each case, we examine key concepts by working through examples. Adaptation is discussed in the context of bacterial evolution, with a view toward the relationship between growth rates, mutation rates, selection strength, and environmental changes. Extinction dynamics for an isolated population are reviewed, with emphasis on the relation between timescales of extinction, population size, and temporally correlated noise. Ecological models are discussed by focusing on the effect of spatial interspecies interactions on diversity. Connections between physical processes—such as diffusion, turbulence, and localization—and evolutionary phenomena are highlighted.

  10. Method and system for imaging a radiation source

    DOEpatents

    Myjak, Mitchell J [Richland, WA; Seifert, Carolyn E [Kennewick, WA; Morris, Scott J [Kennewick, WA

    2011-04-19

    A method for imaging a radiation source, and a device that utilizes these methods that in one embodiment include the steps of: calculating at least one Compton cone of a first parameter of a radiation emission from information received from a sensor occurrence; and tracing this Compton cone on to a unit sphere having preselected characteristics using an estimated angular uncertainty to limit at least a portion of said tracing. In another embodiment of the invention at least two Compton cones are calculated and then intersected upon a predefined surface such as a sphere. These intersection points can then be iterated over a preselected series of prior events.

  11. Radiation efficiency of earthquake sources at different hierarchical levels

    SciTech Connect

    Kocharyan, G. G.

    2015-10-27

    Such factors as earthquake size and its mechanism define common trends in alteration of radiation efficiency. The macroscopic parameter that controls the efficiency of a seismic source is stiffness of fault or fracture. The regularities of this parameter alteration with scale define several hierarchical levels, within which earthquake characteristics obey different laws. Small variations of physical and mechanical properties of the fault principal slip zone can lead to dramatic differences both in the amplitude of released stress and in the amount of radiated energy.

  12. Eliminating the Cuspidal Temperature Profile of a Non-equilibrium Chain

    NASA Astrophysics Data System (ADS)

    Cândido, Michael M.; M. Morgado, Welles A.; Duarte Queirós, Sílvio M.

    2017-03-01

    In 1967, Z. Rieder, J. L. Lebowitz, and E. Lieb (RLL) introduced a model of heat conduction on a crystal that became a milestone problem of non-equilibrium statistical mechanics. Along with its inability to reproduce Fourier's law—which subsequent generalizations have been trying to amend—the RLL model is also characterized by awkward cusps at the ends of the non-equilibrium chain, an effect that has endured all these years without a satisfactory answer. In this paper, we first show that such trait stems from the insufficiency of pinning interactions between the chain and the substrate. Assuming the possibility of pinning the chain, the analysis of the temperature profile in the space of parameters reveals that for a proper combination of the border and bulk pinning values, the temperature profile may shift twice between the RLL cuspidal behavior and the expected monotonic local temperature evolution along the system, as a function of the pinning. At those inversions, the temperature profile along the chain is characterized by perfect plateaux: at the first threshold, the cumulants of the heat flux reach their maxima and the vanishing of the two-point velocity correlation function for all sites of the chain so that the system behaves similarly to a "phonon box." On the other hand, at the second change of the temperature profile, we still have the vanishing of the two-point correlation function but only for the bulk, which explains the emergence of the temperature plateau and thwarts the reaching of the maximal values of the cumulants of the heat flux.

  13. Non-equilibrium atomic condensates and mixtures: collective modes, condensate growth and thermalisation

    NASA Astrophysics Data System (ADS)

    Loon Lee, Kean; Proukakis, Nick P.

    2016-11-01

    The non-equilibrium dynamics of trapped ultracold atomic gases, or mixtures thereof, is an extremely rich subject. Despite 20 years of studies, and remarkable progress mainly on the experimental front, numerous open question remain, related to the growth, relaxation and thermalisation of such systems, and there is still no universally accepted theory for their theoretical description. In this paper we discuss one of the state-of-the-art kinetic approaches, which gives an intuitive picture of the physical processes happening at the microscopic scale, being broadly applicable both below and above the critical region (but not within the critical region itself, where fluctuations become dominant and symmetry breaking takes place). Specifically, the ‘Zaremba-Nikuni-Griffin’ (ZNG) scheme provides a self-consistent description of the coupling between the condensate and the thermal atoms, including the collisions between these two subsystems. It has been successfully tested against experiments in various settings, including investigation of collective modes (e.g. monopole, dipole and quadrupole modes), dissipation of topological excitations (solitons and vortices) as well as surface evaporative cooling. Here, we show that the ZNG model can capture two important aspects of non-equilibrium dynamics for both single-component and two-component BECs: the Kohn mode (the undamped dipole oscillation independent of interactions and temperature) and (re)thermalisation leading to condensate growth following sudden evaporation. Our simulations, performed in a spherically symmetric trap reveal (i) an interesting two-stage dynamics and the emergence of a prominent monopole mode in the evaporative cooling of a single-component Bose gas, and (ii) the long thermalisation time associated with the sympathetic cooling of a realistic two-component mixture. Related open questions arise about the mechanisms and the nature of thermalisation in such systems, where further controlled

  14. Reactive species in non-equilibrium atmospheric-pressure plasmas: Generation, transport, and biological effects

    NASA Astrophysics Data System (ADS)

    Lu, X.; Naidis, G. V.; Laroussi, M.; Reuter, S.; Graves, D. B.; Ostrikov, K.

    2016-05-01

    Non-equilibrium atmospheric-pressure plasmas have recently become a topical area of research owing to their diverse applications in health care and medicine, environmental remediation and pollution control, materials processing, electrochemistry, nanotechnology and other fields. This review focuses on the reactive electrons and ionic, atomic, molecular, and radical species that are produced in these plasmas and then transported from the point of generation to the point of interaction with the material, medium, living cells or tissues being processed. The most important mechanisms of generation and transport of the key species in the plasmas of atmospheric-pressure plasma jets and other non-equilibrium atmospheric-pressure plasmas are introduced and examined from the viewpoint of their applications in plasma hygiene and medicine and other relevant fields. Sophisticated high-precision, time-resolved plasma diagnostics approaches and techniques are presented and their applications to monitor the reactive species and plasma dynamics in the plasma jets and other discharges, both in the gas phase and during the plasma interaction with liquid media, are critically reviewed. The large amount of experimental data is supported by the theoretical models of reactive species generation and transport in the plasmas, surrounding gaseous environments, and plasma interaction with liquid media. These models are presented and their limitations are discussed. Special attention is paid to biological effects of the plasma-generated reactive oxygen and nitrogen (and some other) species in basic biological processes such as cell metabolism, proliferation, survival, etc. as well as plasma applications in bacterial inactivation, wound healing, cancer treatment and some others. Challenges and opportunities for theoretical and experimental research are discussed and the authors' vision for the emerging convergence trends across several disciplines and application domains is presented to

  15. Non-Equilibrium Zeldovich-Von Neumann-Doring Theory and Reactive Flow Modeling of Detonation

    SciTech Connect

    Tarver, C M; Forbes, J W; Urtiew, P A

    2002-05-02

    This paper discusses the Non-Equilibrium Zeldovich - von Neumann - Doring (NEZND) theory of self-sustaining detonation waves and the Ignition and Growth reactive flow model of shock initiation and detonation wave propagation in solid explosives. The NEZND theory identified the non-equilibrium excitation processes that precede and follow the exothermic decomposition of a large high explosive molecule into several small reaction product molecules. The thermal energy deposited by the leading shock wave must be distributed to the vibrational modes of the explosive molecule before chemical reactions can occur. The induction time for the onset of the initial endothermic reactions can be calculated using high pressure, high temperature transition state theory. Since the chemical energy is released well behind the leading shock front of a detonation wave, a physical mechanism is required for this chemical energy to reinforce the leading shock front and maintain its overall constant velocity. This mechanism is the amplification of pressure wavelets in the reaction zone by the process of de-excitation of the initially highly vibrationally excited reaction product molecules. This process leads to the development of the three-dimensional structure of detonation waves observed for all explosives. For practical predictions of shock initiation and detonation in hydrodynamic codes, phenomenological reactive flow models have been developed. The Ignition and Growth reactive flow model of shock initiation and detonation in solid explosives has been very successful in describing the overall flow measured by embedded gauges and laser interferometry. This reactive flow model uses pressure and compression dependent reaction rates, because time resolved experimental temperature data is not yet available. Since all chemical reaction rates are ultimately controlled by temperature, the next generation of reactive flow models will use temperature dependent reaction rates. Progress on a

  16. Optical tweezers manipulation of colloids and biopolymers: non-equilibrium processes

    NASA Astrophysics Data System (ADS)

    Wang, G. M.; Sevick, E. M.

    2008-08-01

    The Fluctuation Theorems (FTs) of Evans & Searles and of Crooks are fundamental theorems of modern thermodynamics that have been suggested to be of practical use to scientists and engineers. Non-equilibrium processes with energy fluctuations on the order of thermal energy, κBT, are described by the FTs; examples include the stretching of a DNA molecule, the localisation of a colloidal particle in an optical trap of changing strength, and translation of an optically trapped colloidal particle. If the path or process is traversed over long times or the system is sufficiently large that it can be considered in the classical, thermodynamic limit, then, in principle, there is only one value of the energy characterising the path. However, for small systems, there exists a distribution of energy values and this distribution is associated with non-equilibrium fluctuations of the system that do not average out over short time. The FT of Evans & Searles, as well as the FT of Crooks (from which the Jarzynski relation is derived), describe the symmetry of this energy distribution about zero. This distribution is inherent to the dynamics of small systems, such as nano-machines and single molecular motors. In this paper we present the FTs in a single unified language, considering that the work done on the system is either purely dissipative, achieves a change in thermodynamic state of the system, or a combination of these. We demonstrate this with a single colloidal particle in an optical trap and a single DNA molecule stretched in an OT experiment.

  17. Unfolding single RNA molecules: bridging the gap between equilibrium and non-equilibrium statistical thermodynamics.

    PubMed

    Bustamante, Carlos

    2005-11-01

    During the last 15 years, scientists have developed methods that permit the direct mechanical manipulation of individual molecules. Using this approach, they have begun to investigate the effect of force and torque in chemical and biochemical reactions. These studies span from the study of the mechanical properties of macromolecules, to the characterization of molecular motors, to the mechanical unfolding of individual proteins and RNA. Here I present a review of some of our most recent results using mechanical force to unfold individual molecules of RNA. These studies make it possible to follow in real time the trajectory of each molecule as it unfolds and characterize the various intermediates of the reaction. Moreover, if the process takes place reversibly it is possible to extract both kinetic and thermodynamic information from these experiments at the same time that we characterize the forces that maintain the three-dimensional structure of the molecule in solution. These studies bring us closer to the biological unfolding processes in the cell as they simulate in vitro, the mechanical unfolding of RNAs carried out in the cell by helicases. If the unfolding process occurs irreversibly, I show here that single-molecule experiments can still provide equilibrium, thermodynamic information from non-equilibrium data by using recently discovered fluctuation theorems. Such theorems represent a bridge between equilibrium and non-equilibrium statistical mechanics. In fact, first derived in 1997, the first experimental demonstration of the validity of fluctuation theorems was obtained by unfolding mechanically a single molecule of RNA. It is perhaps a sign of the times that important physical results are these days used to extract information about biological systems and that biological systems are being used to test and confirm fundamental new laws in physics.

  18. Markov state models from short non-equilibrium simulations—Analysis and correction of estimation bias

    NASA Astrophysics Data System (ADS)

    Nüske, Feliks; Wu, Hao; Prinz, Jan-Hendrik; Wehmeyer, Christoph; Clementi, Cecilia; Noé, Frank

    2017-03-01

    Many state-of-the-art methods for the thermodynamic and kinetic characterization of large and complex biomolecular systems by simulation rely on ensemble approaches, where data from large numbers of relatively short trajectories are integrated. In this context, Markov state models (MSMs) are extremely popular because they can be used to compute stationary quantities and long-time kinetics from ensembles of short simulations, provided that these short simulations are in "local equilibrium" within the MSM states. However, over the last 15 years since the inception of MSMs, it has been controversially discussed and not yet been answered how deviations from local equilibrium can be detected, whether these deviations induce a practical bias in MSM estimation, and how to correct for them. In this paper, we address these issues: We systematically analyze the estimation of MSMs from short non-equilibrium simulations, and we provide an expression for the error between unbiased transition probabilities and the expected estimate from many short simulations. We show that the unbiased MSM estimate can be obtained even from relatively short non-equilibrium simulations in the limit of long lag times and good discretization. Further, we exploit observable operator model (OOM) theory to derive an unbiased estimator for the MSM transition matrix that corrects for the effect of starting out of equilibrium, even when short lag times are used. Finally, we show how the OOM framework can be used to estimate the exact eigenvalues or relaxation time scales of the system without estimating an MSM transition matrix, which allows us to practically assess the discretization quality of the MSM. Applications to model systems and molecular dynamics simulation data of alanine dipeptide are included for illustration. The improved MSM estimator is implemented in PyEMMA of version 2.3.

  19. NON-EQUILIBRIUM THERMODYNAMIC PROCESSES: SPACE PLASMAS AND THE INNER HELIOSHEATH

    SciTech Connect

    Livadiotis, G.; McComas, D. J.

    2012-04-10

    Recently, empirical kappa distribution, commonly used to describe non-equilibrium systems like space plasmas, has been connected with non-extensive statistical mechanics. Here we show how a consistent definition of the temperature and pressure is developed for stationary states out of thermal equilibrium, so that the familiar ideal gas state equation still holds. In addition to the classical triplet of temperature, pressure, and density, this generalization requires the kappa index as a fourth independent thermodynamic variable that characterizes the non-equilibrium stationary states. All four of these thermodynamic variables have key roles in describing the governing thermodynamical processes and transitions in space plasmas. We introduce a novel characterization of isothermal and isobaric processes that describe a system's transition into different stationary states by varying the kappa index. In addition, we show how the variation of temperature or/and pressure can occur through an 'iso-q' process, in which the system remains in a fixed stationary state (fixed kappa index). These processes have been detected in the proton plasma in the inner heliosheath via specialized data analysis of energetic neutral atom (ENA) observations from Interstellar Boundary Explorer. In particular, we find that the temperature is highly correlated with (1) kappa, asymptotically related to isothermal ({approx}1,000,000 K) and iso-q ({kappa} {approx} 1.7) processes; and (2) density, related to an isobaric process, which separates the 'Ribbon', P Almost-Equal-To 3.2 pdyn cm{sup -2}, from the globally distributed ENA flux, P Almost-Equal-To 2 pdyn cm{sup -2}.

  20. A predictive analytic model for high-performance tunneling field-effect transistors approaching non-equilibrium Green's function simulations

    SciTech Connect

    Salazar, Ramon B. E-mail: hilatikh@purdue.edu; Appenzeller, Joerg; Ilatikhameneh, Hesameddin E-mail: hilatikh@purdue.edu; Rahman, Rajib; Klimeck, Gerhard

    2015-10-28

    A new compact modeling approach is presented which describes the full current-voltage (I-V) characteristic of high-performance (aggressively scaled-down) tunneling field-effect-transistors (TFETs) based on homojunction direct-bandgap semiconductors. The model is based on an analytic description of two key features, which capture the main physical phenomena related to TFETs: (1) the potential profile from source to channel and (2) the elliptic curvature of the complex bands in the bandgap region. It is proposed to use 1D Poisson's equations in the source and the channel to describe the potential profile in homojunction TFETs. This allows to quantify the impact of source/drain doping on device performance, an aspect usually ignored in TFET modeling but highly relevant in ultra-scaled devices. The compact model is validated by comparison with state-of-the-art quantum transport simulations using a 3D full band atomistic approach based on non-equilibrium Green's functions. It is shown that the model reproduces with good accuracy the data obtained from the simulations in all regions of operation: the on/off states and the n/p branches of conduction. This approach allows calculation of energy-dependent band-to-band tunneling currents in TFETs, a feature that allows gaining deep insights into the underlying device physics. The simplicity and accuracy of the approach provide a powerful tool to explore in a quantitatively manner how a wide variety of parameters (material-, size-, and/or geometry-dependent) impact the TFET performance under any bias conditions. The proposed model presents thus a practical complement to computationally expensive simulations such as the 3D NEGF approach.

  1. High efficiency long pulse gigawatt sources of HPM radiation

    NASA Astrophysics Data System (ADS)

    Arman, M. Joseph

    1999-05-01

    The High Power Microwave (HPM) technology has advanced tremendously in the last five decades. What started out as a mere passive tool in the form of radar for detecting airborne objects during the second world war, has grown to be an active vehicle that can influence and impact its target. Progress has been made in all fronts. The peak radiated power has gone up several orders of magnitude to several gigawatts, the efficiency has grown by a wide margin, and the total energy radiated for pulsed sources has grown to several hundreds of Jules per pulse. Major obstacles still exist. The number of sources that have already achieved one gigawatt or higher is too great to cover here. In what follows, we will briefly describe the sources that have radiated one gigawatt or higher with a pulselength of 300 ns or longer, and an rms efficiency of 10% or higher. We also address the obstacles lying ahead and suggest possible means of overcoming them. The sources presented are the Relativistic Klystron Oscillator (RKO), the Magnetically Insulated Line Oscillator (MILO), and the Tapered Magnetically Insulated Line Oscillator (TMILO).

  2. Preconceptual design requirements for the X-1 Advanced Radiation Source

    SciTech Connect

    Rochau, G.E.; Hands, J.A.; Raglin, P.S.; Ramirez, J.J.; Goldstein, S.A.; Cereghino, S.J.; MacLeod, G.

    1998-09-01

    The X-1 Advanced Radiation Source represents the next step in providing the US Department of Energy`s Stockpile Stewardship Program with the high-energy, large volume, laboratory x-ray source for the Radiation Effects Science and Simulation, Inertial Confinement Fusion, and Weapon Physics Programs. Advances in fast pulsed power technology and in z-pinch hohlraums on Sandia National Laboratories` Z Accelerator provide sufficient basis for pursuing the development of X-1. The X-1 plan follows a strategy based on scaling the 2 MJ x-ray output on Z via a 3-fold increase in z-pinch load current. The large volume (>5 cm{sup 3}), high temperature (>150 eV), temporally long (>10 ns) hohlraums are unique outside of underground nuclear weapon testing. Analytical scaling arguments and hydrodynamic simulations indicate that these hohlraums at temperatures of 230--300 eV will ignite thermonuclear fuel and drive the reaction to a yield of 200 to 1,000 MJ in the laboratory. X-1 will provide the high-fidelity experimental capability to certify the survivability and performance of non-nuclear weapon components in hostile radiation environments. Non-ignition sources will provide cold x-ray environments (<15 keV), and high yield fusion burn sources will provide high fidelity warm x-ray environments (15 keV--80 keV).

  3. Exploding Wire in Water as a Potential Source of Amplified EUV-radiation

    SciTech Connect

    Kolacek, Karel; Prukner, Vaclav; Schmidt, Jiri; Straus, Jaroslav; Frolov, Oleksandr; Hoffer, Petr

    2009-01-21

    Proximity wall stabilized, fast (>4x10{sup 11} A/s), high current (>40 kA) discharges are capable to create long, dense, hot, 'stable,' non-equilibrium plasma column suitable e.g. for amplification of EUV and soft X-ray radiation. Exploding wire in water resembles a metal-vapor-filled capillary with liquid, ever fresh wall (without any metallic deposit). Modeling of wire explosion (inclusive melting and boiling phase transitions, thermal diffusion, and non-constant conductivity) by the originally skinned driving current is described. Modeling results are compared with measurement of the discharge current and with side-on monitoring of H-alpha line emission. The differences are attributed to the fact that for calculation the material constants measured at atmospheric pressure were available only.

  4. Calculations for Tera-Hertz (THZ) Radiation Sources

    SciTech Connect

    Hussein, Yasser A.; Spencer, James E.; /SLAC

    2005-06-07

    We explore possibilities for THz sources from 0.3-30 THz. While still inaccessible, this broad gap is even wider for advanced acceleration schemes extending from X or, at most, W band RF at the low end up to CO{sub 2} lasers. While the physical implementations of these two approaches are quite different, both are proving difficult to develop so that lower frequency, superconducting RF is currently preferred. Similarly, the validity of modeling techniques varies greatly over this range of frequencies but generally mandates coupling Maxwell's equations to the appropriate device transport physics for which there are many options. Here we study radiation from undulatory-shaped transmission lines using finite-difference, time-domain (FDTD) simulations. Also, we present Monte-Carlo techniques for pulse generation. Examples of THz sources demonstrating coherence are shown with the goal of optimizing on-chip THz radiators for applications that may lead to accelerators.

  5. Isis 1 observations at the source of auroral kilometric radiation

    NASA Technical Reports Server (NTRS)

    Benson, R. F.; Calvert, W.

    1979-01-01

    Observations of auroral kilometric radiation (AKR) were made by Isis 1 in the source region. The radiation is found to be generated in the extraordinary mode just above the local cut-off frequency and to emanate nearly perpendicular to the magnetic field. It occurs within local depletions of electron density, where the ratio of plasma frequency to cyclotron frequency is less than 0.2. The density depletion is restricted to altitudes above about 2000 km, and the upper AKR frequency limit corresponds to the extraordinary cut-off frequency at this altitude. AKR is observed from Isis 1 above the nighttime auroral zone over a wider extent in longitude than in latitude with an intense source region observed most often near 2200 LMT and 70 deg invariant latitude. It is directly related to inverted V electron precipitation events with an electron-to-wave energy conversion efficiency of the order of 0.1 to 1%.

  6. Gaseous Ultraviolet-Radiation Source with Electron Emitter

    NASA Astrophysics Data System (ADS)

    Hashiguchi, Seishiro; Tachibana, Kunihide

    2001-03-01

    An ultraviolet (UV) source is proposed. It resembles a dc-type plasma display panel (PDP) but the applied voltage is well below the breakdown voltage and an electron emitter is used. The advantage of the new UV source is that it can reduce energy dissipation due to creation of ions. Numerical calculations with pure xenon show an efficiency of 11% for the applied voltage of 210 V@. The emitter current of 1.3 mA/cm2 was needed to realize an UV-radiation energy equal to that of a conventional PDP@. The efficiency increased with decreasing applied voltage while the emitter current increased to obtain the same amount of UV-radiation energy.

  7. Blackbody radiation sources for the IR spectral range

    SciTech Connect

    Ogarev, S. A.; Morozova, S. P.; Katysheva, A. A.; Lisiansky, B. E.; Samoylov, M. L.

    2013-09-11

    Metrological radiometric facilities for optoelectronic instruments calibration utilize in terms of standards as radiation detectors in a form of cryogenic radiometers (CR), so as radiation sources. However in practice, there are no CR working within IR spectral range. An alternative way of radiometric calibration in middle and far IR ranges is to develop a parametric series of standard radiation sources - blackbody (BB) models. The paper describes some of BBs developed at VNIIOFI for the last time [1] from cryogenic (80 K to 200 K), to low (about 200 K to 400 K) and medium (400 K to 700 K) temperature regions for calibration of the IR instruments under cryogenic-vacuum conditions. These BBs are presented by models of both types: variable-temperature and based on fixed points of Ga or In. BBs are characterized with high temperature uniformity and stability. Copper and aluminum alloys are used as the radiation cavity materials. The required value of emissivity ε{sub λ} is achieved by using different black coatings. Low-temperature and cryogenic BBs are based on the principles of indirect multi-zone electric heating (with heat isolation from LN2 cooling loop, or by using an external liquid thermostat with circulating heat-transfer agent. The principles of operation, design and test results of BBs are described.

  8. Source term calculations for assessing radiation dose to equipment

    SciTech Connect

    Denning, R.S.; Freeman-Kelly, R.; Cybulskis, P.; Curtis, L.A.

    1989-07-01

    This study examines results of analyses performed with the Source Term Code Package to develop updated source terms using NUREG-0956 methods. The updated source terms are to be used to assess the adequacy of current regulatory source terms used as the basis for equipment qualification. Time-dependent locational distributions of radionuclides within a containment following a severe accident have been developed. The Surry reactor has been selected in this study as representative of PWR containment designs. Similarly, the Peach Bottom reactor has been used to examine radionuclide distributions in boiling water reactors. The time-dependent inventory of each key radionuclide is provided in terms of its activity in curies. The data are to be used by Sandia National Laboratories to perform shielding analyses to estimate radiation dose to equipment in each containment design. See NUREG/CR-5175, Beta and Gamma Dose Calculations for PWR and BWR Containments.'' 6 refs., 11 tabs.

  9. Non-equilibrium vibrational and electron energy distribution functions in mtorr, high-electron-density nitrogen discharges and afterglows

    NASA Astrophysics Data System (ADS)

    Capitelli, M.; Colonna, G.; D’Ammando, G.; Laricchiuta, A.; Pietanza, L. D.

    2017-03-01

    Non-equilibrium vibrational distributions (vdf) and non-equilibrium electron energy distribution functions (eedf) in a nitrogen plasma at low pressure (mtorr) have been calculated by using a time-dependent plasma physics model coupled to the Boltzmann equation and heavy particle kinetics. Different case studies have been selected showing the non-equilibrium character of both vdf and eedf under discharge and post-discharge conditions in the presence of large concentrations of electrons. Particular attention is devoted to the electron-molecule resonant vibrational excitation cross sections acting in the whole vibrational ladder. The results in the post-discharge conditions show the interplay of superelastic vibrational and electronic collisions in forming structures in the eedf. The link between the present results in the mtorr afterglow regime with the existing eedf in the torr and atmospheric regimes is discussed.

  10. Heat Transfer and Fluid Transport of Supercritical CO2 in Enhanced Geothermal System with Local Thermal Non-equilibrium Model

    DOE PAGES

    Zhang, Le; Luo, Feng; Xu, Ruina; ...

    2014-12-31

    The heat transfer and fluid transport of supercritical CO2 in enhanced geothermal system (EGS) is studied numerically with local thermal non-equilibrium model, which accounts for the temperature difference between solid matrix and fluid components in porous media and uses two energy equations to describe heat transfer in the solid matrix and in the fluid, respectively. As compared with the previous results of our research group, the effect of local thermal non-equilibrium mainly depends on the volumetric heat transfer coefficient ah, which has a significant effect on the production temperature at reservoir outlet and thermal breakthrough time. The uniformity of volumetricmore » heat transfer coefficient ah has little influence on the thermal breakthrough time, but the temperature difference become more obvious with time after thermal breakthrough with this simulation model. The thermal breakthrough time reduces and the effect of local thermal non-equilibrium becomes significant with decreasing ah.« less

  11. Direct measurement of the Einstein relation in a macroscopic, non-equilibrium system of chaotic surface waves

    NASA Astrophysics Data System (ADS)

    Welch, Kyle; Liebman-Pelaez, Alexander; Corwin, Eric

    Equilibrium statistical mechanics is traditionally limited to thermal systems. Can it be applied to athermal, non-equilibrium systems that nonetheless satisfy the basic criteria of steady-state chaos and isotropy? We answer this question using a macroscopic system of chaotic surface waves which is, by all measures, non-equilibrium. The waves are generated in a dish of water that is vertically oscillated above a critical amplitude. We have constructed a rheometer that actively measures the drag imparted by the waves on a buoyant particle, a quantity entirely divorced in origin from the drag imparted by the fluid in which the particle floats. We also perform a separate, passive measurement, extracting a diffusion constant and effective temperature. Having directly measured all three properties (temperature, diffusion constant, and drag coefficient) we go on to show that our macroscopic, non-equilibrium case is wholly consistent with the Einstein relation, a classic result for equilibrium thermal systems.

  12. "Non-equilibrium" block copolymer micelles with glassy cores: a predictive approach based on theory of equilibrium micelles.

    PubMed

    Nagarajan, Ramanathan

    2015-07-01

    Micelles generated in water from most amphiphilic block copolymers are widely recognized to be non-equilibrium structures. Typically, the micelles are prepared by a kinetic process, first allowing molecular scale dissolution of the block copolymer in a common solvent that likes both the blocks and then gradually replacing the common solvent by water to promote the hydrophobic blocks to aggregate and create the micelles. The non-equilibrium nature of the micelle originates from the fact that dynamic exchange between the block copolymer molecules in the micelle and the singly dispersed block copolymer molecules in water is suppressed, because of the glassy nature of the core forming polymer block and/or its very large hydrophobicity. Although most amphiphilic block copolymers generate such non-equilibrium micelles, no theoretical approach to a priori predict the micelle characteristics currently exists. In this work, we propose a predictive approach for non-equilibrium micelles with glassy cores by applying the equilibrium theory of micelles in two steps. In the first, we calculate the properties of micelles formed in the mixed solvent while true equilibrium prevails, until the micelle core becomes glassy. In the second step, we freeze the micelle aggregation number at this glassy state and calculate the corona dimension from the equilibrium theory of micelles. The condition when the micelle core becomes glassy is independently determined from a statistical thermodynamic treatment of diluent effect on polymer glass transition temperature. The predictions based on this "non-equilibrium" model compare reasonably well with experimental data for polystyrene-polyethylene oxide diblock copolymer, which is the most extensively studied system in the literature. In contrast, the application of the equilibrium model to describe such a system significantly overpredicts the micelle core and corona dimensions and the aggregation number. The non-equilibrium model suggests ways to

  13. NON-EQUILIBRIUM MODELING OF THE FE XVII 3C/3D LINE RATIO IN AN INTENSE X-RAY FREE-ELECTRON LASER EXCITED PLASMA

    SciTech Connect

    Loch, S. D.; Ballance, C. P.; Li, Y.; Fogle, M.; Fontes, C. J.

    2015-03-01

    Recent measurements using an X-ray Free Electron Laser (XFEL) and an Electron Beam Ion Trap at the Linac Coherent Light Source facility highlighted large discrepancies between the observed and theoretical values for the Fe xvii 3C/3D line intensity ratio. This result raised the question of whether the theoretical oscillator strengths may be significantly in error, due to insufficiencies in the atomic structure calculations. We present time-dependent spectral modeling of this experiment and show that non-equilibrium effects can dramatically reduce the predicted 3C/3D line intensity ratio, compared with that obtained by simply taking the ratio of oscillator strengths. Once these non-equilibrium effects are accounted for, the measured line intensity ratio can be used to determine a revised value for the 3C/3D oscillator strength ratio, giving a range from 3.0 to 3.5. We also provide a framework to narrow this range further, if more precise information about the pulse parameters can be determined. We discuss the implications of the new results for the use of Fe xvii spectral features as astrophysical diagnostics and investigate the importance of time-dependent effects in interpreting XFEL-excited plasmas.

  14. Non-linear quantum-classical scheme to simulate non-equilibrium strongly correlated fermionic many-body dynamics

    PubMed Central

    Kreula, J. M.; Clark, S. R.; Jaksch, D.

    2016-01-01

    We propose a non-linear, hybrid quantum-classical scheme for simulating non-equilibrium dynamics of strongly correlated fermions described by the Hubbard model in a Bethe lattice in the thermodynamic limit. Our scheme implements non-equilibrium dynamical mean field theory (DMFT) and uses a digital quantum simulator to solve a quantum impurity problem whose parameters are iterated to self-consistency via a classically computed feedback loop where quantum gate errors can be partly accounted for. We analyse the performance of the scheme in an example case. PMID:27609673

  15. PREFACE: Fourh Workshop on Non-Equilibrium Phenomena in Supercooled Fluids, Glasses and Amorphous Materials

    NASA Astrophysics Data System (ADS)

    Andreozzi, Laura; Giordano, Marco; Leporini, Dino; Tosi, Mario

    2007-04-01

    This special issue of Journal of Physics: Condensed Matter presents the Proceedings of the Fourh Workshop on Non-Equilibrium Phenomena in Supercooled Fluids, Glasses and Amorphous Materials, held in Pisa from 17-22 September 2006. This was the fourth of a series of workshops on this theme started in 1995 as a joint initiative of the Università di Pisa and the Scuola Normale Superiore. The 2006 edition was attended by about 200 participants from Europe, Asia and the Americas. As for the earlier workshops, the main objective was to bring together scientists from different areas of science, technology and engineering, to comparatively discuss experimental facts and theoretical predictions on the dynamical processes that occur in supercooled fluids and other disordered materials in non-equilibrium states. The underlying conceptual unity of the field provides a common background for the scientific community working in its various areas. In this edition the number of sessions was increased to cover a wider range of topics of general and current interest, in a larger number of stimulating lectures. The core of the workshop was a set of general lectures followed by more specific presentations on current issues in the main areas of the field. The sessions were in sequence devoted to: non-equilibrium dynamics, aging and secondary relaxations, biomaterials, polyamorphism and water, polymer dynamics I, complex systems, pressure-temperature scaling, thin films, nanometre length-scale studies, folded states of proteins and polymer crystals, theoretical aspects and energy landscape approaches, relaxation and heterogeneous dynamics, rheology in fluids and entangled polymers, biopolymers, and polymer dynamics II. We thank the session chairmen and all speakers for the high quality of their contributions. The structure of this issue of the proceedings follows the sequence of the oral presentations in the workshop, complemented by some papers selected from the poster sessions. Two

  16. Helium Reionization Simulations. I. Modeling Quasars as Radiation Sources

    NASA Astrophysics Data System (ADS)

    La Plante, Paul; Trac, Hy

    2016-09-01

    We introduce a new project to understand helium reionization using fully coupled N-body, hydrodynamics, and radiative transfer simulations. This project aims to capture correctly the thermal history of the intergalactic medium as a result of reionization and make predictions about the Lyα forest and baryon temperature-density relation. The dominant sources of radiation for this transition are quasars, so modeling the source population accurately is very important for making reliable predictions. In this first paper, we present a new method for populating dark matter halos with quasars. Our set of quasar models includes two different light curves, a lightbulb (simple on/off) and symmetric exponential model, and luminosity-dependent quasar lifetimes. Our method self-consistently reproduces an input quasar luminosity function given a halo catalog from an N-body simulation, and propagates quasars through the merger history of halo hosts. After calibrating quasar clustering using measurements from the Baryon Oscillation Spectroscopic Survey, we find that the characteristic mass of quasar hosts is {M}h˜ 2.5× {10}12 {h}-1 {M}⊙ for the lightbulb model, and {M}h˜ 2.3× {10}12 {h}-1 {M}⊙ for the exponential model. In the latter model, the peak quasar luminosity for a given halo mass is larger than that in the former, typically by a factor of 1.5-2. The effective lifetime for quasars in the lightbulb model is 59 Myr, and in the exponential case, the effective time constant is about 15 Myr. We include semi-analytic calculations of helium reionization, and discuss how to include these quasars as sources of ionizing radiation for full hydrodynamics with radiative transfer simulations in order to study helium reionization.

  17. Characterization of the radiation background at the Spallation Neutron Source

    NASA Astrophysics Data System (ADS)

    DiJulio, Douglas D.; Cherkashyna, Nataliia; Scherzinger, Julius; Khaplanov, Anton; Pfeiffer, Dorothea; Cooper-Jensen, Carsten P.; Fissum, Kevin G.; Kanaki, Kalliopi; Kirstein, Oliver; Ehlers, Georg; Gallmeier, Franz X.; Hornbach, Donald E.; Iverson, Erik B.; Newby, Robert J.; Hall-Wilton, Richard J.; Bentley, Phillip M.

    2016-09-01

    We present a survey of the radiation background at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory, TN, USA during routine daily operation. A broad range of detectors was used to characterize primarily the neutron and photon fields throughout the facility. These include a WENDI-2 extended range dosimeter, a thermoscientific NRD, an Arktis 4He detector, and a standard NaI photon detector. The information gathered from the detectors was used to map out the neutron dose rates throughout the facility and also the neutron dose rate and flux profiles of several different beamlines. The survey provides detailed information useful for developing future shielding concepts at spallation neutron sources, such as the European Spallation Source (ESS), currently under construction in Lund, Sweden.

  18. An inverse source location algorithm for radiation portal monitor applications

    SciTech Connect

    Miller, Karen A; Charlton, William S

    2010-01-01

    Radiation portal monitors are being deployed at border crossings throughout the world to prevent the smuggling of nuclear and radiological materials; however, a tension exists between security and the free-flow of commerce. Delays at ports-of-entry have major economic implications, so it is imperative to minimize portal monitor screening time. We have developed an algorithm to locate a radioactive source using a distributed array of detectors, specifically for use at border crossings. To locate the source, we formulated an optimization problem where the objective function describes the least-squares difference between the actual and predicted detector measurements. The predicted measurements are calculated by solving the 3-D deterministic neutron transport equation given an estimated source position. The source position is updated using the steepest descent method, where the gradient of the objective function with respect to the source position is calculated using adjoint transport calculations. If the objective function is smaller than the convergence criterion, then the source position has been identified. This paper presents the derivation of the underlying equations in the algorithm as well as several computational test cases used to characterize its accuracy.

  19. The lagRST Model: A Turbulence Model for Non-Equilibrium Flows

    NASA Technical Reports Server (NTRS)

    Lillard, Randolph P.; Oliver, A. Brandon; Olsen, Michael E.; Blaisdell, Gregory A.; Lyrintzis, Anastasios S.

    2011-01-01

    This study presents a new class of turbulence model designed for wall bounded, high Reynolds number flows with separation. The model addresses deficiencies seen in the modeling of nonequilibrium turbulent flows. These flows generally have variable adverse pressure gradients which cause the turbulent quantities to react at a finite rate to changes in the mean flow quantities. This "lag" in the response of the turbulent quantities can t be modeled by most standard turbulence models, which are designed to model equilibrium turbulent boundary layers. The model presented uses a standard 2-equation model as the baseline for turbulent equilibrium calculations, but adds transport equations to account directly for non-equilibrium effects in the Reynolds Stress Tensor (RST) that are seen in large pressure gradients involving shock waves and separation. Comparisons are made to several standard turbulence modeling validation cases, including an incompressible boundary layer (both neutral and adverse pressure gradients), an incompressible mixing layer and a transonic bump flow. In addition, a hypersonic Shock Wave Turbulent Boundary Layer Interaction with separation is assessed along with a transonic capsule flow. Results show a substantial improvement over the baseline models for transonic separated flows. The results are mixed for the SWTBLI flows assessed. Separation predictions are not as good as the baseline models, but the over prediction of the peak heat flux downstream of the reattachment shock that plagues many models is reduced.

  20. Non-equilibrium thermodynamics of thiol/disulfide redox systems: A perspective on redox systems biology

    PubMed Central

    Kemp, Melissa; Go, Young-Mi; Jones, Dean P.

    2008-01-01

    Understanding the dynamics of redox elements in biologic systems remains a major challenge for redox signaling and oxidative stress research. Central redox elements include evolutionarily conserved subsets of cysteines and methionines of proteins which function as sulfur switches and labile reactive oxygen species (ROS) and reactive nitrogen species (RNS) which function in redox signaling. The sulfur switches depend upon redox environments in which rates of oxidation are balanced with rates of reduction through the thioredoxins, glutathione/glutathione disulfide and cysteine/cystine redox couples. These central couples, which we term redox control nodes, are maintained at stable but non-equilibrium steady states, are largely independently regulated in different subcellular compartments and are quasi-independent from each other within compartments. Disruption of the redox control nodes can differentially affect sulfur switches, thereby creating a diversity of oxidative stress responses. Systems biology provides approaches to address the complexity of these responses. In the present review, we summarize thiol/disulfide pathway, redox potential and rate information as a basis for kinetic modeling of sulfur switches. The summary identifies gaps in knowledge especially related to redox communication between compartments, definition of redox pathways and discrimination between types of sulfur switches. A formulation for kinetic modeling of GSH/GSSG redox control indicates that systems biology could encourage novel therapeutic approaches to protect against oxidative stress by identifying specific redox-sensitive sites which could be targeted for intervention. PMID:18155672

  1. Current & Heat Transport in Graphene Nanoribbons: Role of Non-Equilibrium Phonons

    NASA Astrophysics Data System (ADS)

    Pennington, Gary; Finkenstadt, Daniel

    2010-03-01

    The conducting channel of a graphitic nanoscale device is expected to experience a larger degree of thermal isolation when compared to traditional inversion channels of electronic devices. This leads to enhanced non-equilibrium phonon populations which are likely to adversely affect the mobility of graphene-based nanoribbons due to enhanced phonon scattering. Recent reports indicating the importance of carrier scattering with substrate surface polar optical phonons in carbon nanotubes^1 and graphene^2,3 show that this mechanism may allow enhanced heat removal from the nanoribbon channel. To investigate the effects of hot phonon populations on current and heat conduction, we solve the graphene nanoribbon multiband Boltzmann transport equation. Monte Carlo transport techniques are used since phonon populations may be tracked and updated temporally.^4 The electronic structure is solved using the NRL Tight-Binding method,^5 where carriers are scattered by confined acoustic, optical, edge and substrate polar optical phonons. [1] S. V. Rotkin et al., Nano Lett. 9, 1850 (2009). [2] J. H. Chen, C. Jang, S. Xiao, M. Ishigami and M. S. Fuhrer, Nature Nanotech. 3, 206 (2008). [3] V. Perebeinos and P. Avouris, arXiv:0910.4665v1 [cond-mat.mes-hall] (2009). [4] P. Lugli et al., Appl. Phys. Lett. 50, 1251 (1987). [5] D. Finkenstadt, G. Pennington & M.J. Mehl, Phys. Rev. B 76, 121405(R) (2007).

  2. Effect of dielectric barrier discharge plasma actuators on non-equilibrium hypersonic flows

    NASA Astrophysics Data System (ADS)

    Bhatia, Ankush; Roy, Subrata; Gosse, Ryan

    2014-10-01

    A numerical study employing discontinuous Galerkin method demonstrating net surface heat reduction for a cylindrical body in Mach 17 hypersonic flow is presented. This application focuses on using sinusoidal dielectric barrier discharge plasma actuators to inject momentum near the stagnation point. A 5 species finite rate air chemistry model completes the picture by analyzing the effect of the actuator on the flow chemistry. With low velocity near the stagnation point, the plasma actuator sufficiently modifies the fluid momentum. This results in redistribution of the integrated surface heating load on the body. Specifically, a particular configuration of normally pinching plasma actuation is predicted to reduce the surface heat flux at the stagnation point. An average reduction of 0.246% for the integrated and a maximum reduction of 7.68% are reported for the surface heat flux. The temperature contours in the fluid flow (with maximum temperature over 12 000 K) are pinched away from the stagnation point, thus resulting in reduced thermal load. Plasma actuation in this configuration also affects the species concentration distribution near the wall, in addition to the temperature gradient. The combined effect of both, thus results in an average reduction of 0.0986% and a maximum reduction of 4.04% for non-equilibrium calculations. Thus, this study successfully demonstrates the impact of sinusoidal dielectric barrier discharge plasma actuation on the reduction of thermal load on a hypersonic body.

  3. Influence of boundary slip effect on thermal environment in thermo-chemical non-equilibrium flow

    NASA Astrophysics Data System (ADS)

    Miao, Wenbo; Zhang, Liang; Li, Junhong; Cheng, Xiaoli

    2014-12-01

    A kind of new hypersonic vehicle makes long-time flight in transitional flow regime where boundary slip effect caused by low gas density will have an important influence on the thermal environment around the vehicles. Numerical studies on the boundary slip effect as hypersonic vehicles fly in high Mach number has been carried out. The method for solving non-equilibrium flows considering slip boundary, surface catalysis and chemical reactions has been built up, and been validated by comparing the thermal environment results with STS-2 flight test data. The mechanism and rules of impact on surface heat flux by different boundary slip level (Knudsen number from 0.01 to 0.05) has been investigated in typical hypersonic flow conditions. The results show that the influence mechanisms of boundary slip effect are different on component diffusion heat flux and convective heat flux; slip boundary increases the near wall temperature which diminish the convective heat; whereas enhances the near wall gas diffusion heat because of the internal energy's growing. Component diffusion heat flux takes a smaller portion of the total heat flux, so the slip boundary reduces the total wall heat flux. As Knudsen number goes up, the degree of rarefaction increases, the influences of slip boundary on convective and component diffusion heat flux are both enhanced, total heat flux grows by a small margin, and boundary slip effect is more distinct.

  4. An improved dynamic non-equilibrium wall-model for large eddy simulation

    NASA Astrophysics Data System (ADS)

    Park, George Ilhwan; Moin, Parviz

    2013-11-01

    A non-equilibrium wall-model based on unsteady 3D Reynolds-averaged Navier-Stokes (RANS) equations has been implemented in an unstructured mesh environment. The method is similar to that of the wall-model described by Wang and Moin [Phys. Fluids 14, 2043-2051, (2002)], but is supplemented by a new dynamic eddy viscosity/conductivity model that corrects the effect of the resolved Reynolds stress (resolved turbulent heat flux) on the skin friction (wall heat flux). This correction is crucial for accurate prediction of the skin friction and wall heat flux. Unlike earlier models, this eddy viscosity/conductivity model does not have a stress-matching procedure or a tunable free parameter, and it shows consistent performance over a wide range of Reynolds numbers. The wall-model is validated against canonical (attached) transitional and fully turbulent flows at moderate to very high Reynolds number: a turbulent channel flow at Reτ = 2000, an H-type transitional boundary layer up to Reθ = 3300, and a high Reynolds number boundary layer at Reθ = 31000. An application to the flow over NACA4412 airfoil is ongoing and hopefully will be presented. This work was supported by the Winston and Fu-Mei Stanford Graduate Fellowship, NASA Aeronautics Scholarship Program, and NASA under the Subsonic Fixed-Wing Program and the Boeing Company.

  5. Electrical characteristics of TIG arcs in argon from non-equilibrium modelling and experiment

    NASA Astrophysics Data System (ADS)

    Baeva, Margarita; Uhrlandt, Dirk; Siewert, Erwan

    2016-09-01

    Electric arcs are widely used in industrial processes so that a thorough understanding of the arc characteristics is highly important to industrial research and development. TIG welding arcs operated with pointed electrodes made of tungsten, doped with cerium oxide, have been studied in order to analyze in detail the electric field and the arc voltage. Newly developed non-equilibrium model of the arc is based on a complete diffusion treatment of particle fluxes, a generalized form of Ohm's law, and boundary conditions accounting for the space-charge sheaths within the magneto-hydrodynamic approach. Experiments have been carried out for electric currents in the range 5-200 A. The electric arc has been initiated between a WC20 cathode and a water-cooled copper plate placed 0.8 mm from each other. The arc length has been continuously increased by 0.1 mm up to 15 mm and the arc voltage has been simultaneously recorded. Modelling and experimental results will be presented and discussed.

  6. Non-equilibrium relaxation in a stochastic lattice Lotka-Volterra model

    NASA Astrophysics Data System (ADS)

    Chen, Sheng; Täuber, Uwe C.

    2016-04-01

    We employ Monte Carlo simulations to study a stochastic Lotka-Volterra model on a two-dimensional square lattice with periodic boundary conditions. If the (local) prey carrying capacity is finite, there exists an extinction threshold for the predator population that separates a stable active two-species coexistence phase from an inactive state wherein only prey survive. Holding all other rates fixed, we investigate the non-equilibrium relaxation of the predator density in the vicinity of the critical predation rate. As expected, we observe critical slowing-down, i.e., a power law dependence of the relaxation time on the predation rate, and algebraic decay of the predator density at the extinction critical point. The numerically determined critical exponents are in accord with the established values of the directed percolation universality class. Following a sudden predation rate change to its critical value, one finds critical aging for the predator density autocorrelation function that is also governed by universal scaling exponents. This aging scaling signature of the active-to-absorbing state phase transition emerges at significantly earlier times than the stationary critical power laws, and could thus serve as an advanced indicator of the (predator) population’s proximity to its extinction threshold.

  7. Non-equilibrium relaxation in a two-dimensional stochastic lattice Lotka-Volterra model

    NASA Astrophysics Data System (ADS)

    Chen, Sheng; Täuber, Uwe C.

    We employ Monte Carlo simulations to study a stochastic Lotka-Volterra model on a two-dimensional square lattice with periodic boundary conditions. There are stable states when the predators and prey coexist. If the local prey carrying capacity is finite, there emerges an extinction threshold for the predator population at a critical value of the predation rate. We investigate the non-equilibrium relaxation of the predator density in the vicinity of this critical point. The expected power law dependence between the relaxation time and predation rate is observed (critical slowing down). The numerically determined associated critical exponents are in accord with the directed percolation universality class. Following a sudden predation rate change to its critical value, one observes critical aging for the predator density autocorrelation function with a universal scaling exponent. This aging scaling signature of the absorbing state phase transition emerges at significantly earlier times than stationary critical power laws, and could thus serve as an advanced indicator of the population's proximity to its extinction threshold. This research is supported by the U. S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering under Award DE-FG02-09ER46613.

  8. Numerical solution of 2D wet steam flow with non-equilibrium condensation and real thermodynamics

    SciTech Connect

    Hric, V.; Halama, J.

    2015-03-10

    An approach to modeling of wet steam flow with non-equilibrium condensation phenomenon is presented. The first part of our flow model is homogeneous Euler system of transport equations for mass, momentum and total energy of wet steam (mixture). The additional second part describes liquid phase via non-homogeneous system of transport equations for moments of droplets number distribution function and relies on corrected classical nucleation theory. Moment equations are closed by linearization of droplet growth rate model. All necessary relations for thermodynamic properties of steam are provided by IAPWS set of equations. However, properties of condensate are simply modeled by liquid saturation data. Two real equations of state are implemented. Recently developed CFD formulation for entropy (does not require iteration process) and so-called IAPWS special gas equation for Helmholtz energy (one iteration loop is necessary). Flow model is validated on converging-diverging supersonic nozzle with Barschdorff geometry. Simulations were performed by in-house CFD code based on finite volume method and stiff character of equations was solved by symmetrical time operator splitting. Achieved results satisfactorily agreed with experimental data.

  9. Non-equilibrium optical phonon dynamics in bulk and low-dimensional semiconductors

    NASA Astrophysics Data System (ADS)

    Srivastava, G. P.

    2007-02-01

    We present theoretical investigations of the intrinsic dynamics of long-wavelength non-equilibrium optical phonons in bulk and low-dimensional semiconductors. The theory is based on the application of Fermi's golden rule formula, with phonon dispersion relations as well as crystal anharmonicity considered in the framework of isotropic continuum model. Contributions to the decay rates of the phonon modes are discussed in terms of four possible channels: Klemens channel (into two acoustic daughter modes), generalised Ridley channel (into one acoustic and one optical mode), generalised Vallee-Bogani channel (into a lower mode of the same branch and an acoustic mode), and Barman-Srivastava channel (into two lower-branch optical modes). The role of crystal structure and cation/anion mass ratio in determining the lifetime of such modes in bulk semiconductors is highlighted. Estimates of lifetimes of such modes in silicon nanowires and carbon nanotubes will also be presented. The results support and explain available experimental data, and make predictions in some cases.

  10. Collective non-equilibrium spin exchange in cold alkaline-earth atomic clocks

    NASA Astrophysics Data System (ADS)

    Acevedo, Oscar Leonardo; Rey, Ana Maria

    2016-05-01

    Alkaline-earth atomic (AEA) clocks have recently been shown to be reliable simulators of two-orbital SU(N) quantum magnetism. In this work, we study the non-equilibrium spin exchange dynamics during the clock interrogation of AEAs confined in a deep one-dimensional optical lattice and prepared in two nuclear levels. The two clock states act as an orbital degree of freedom. Every site in the lattice can be thought as populated by a frozen set of vibrational modes collectively interacting via predominantly p-wave collisions. Due to the exchange coupling, orbital state transfer between atoms with different nuclear states is expected to happen. At the mean field level, we observe that in addition to the expected suppression of population transfer in the presence of a large magnetic field, that makes the single particle levels off-resonance, there is also an interaction induced suppression for initial orbital population imbalance. This suppression resembles the macroscopic self-trapping mechanism seen in bosonic systems. However, by performing exact numerical solutions and also by using the so-called Truncated Wigner Approximation, we show that quantum correlations can significantly modify the mean field suppression. Our predictions should be testable in optical clock experiments. Project supported by NSF-PHY-1521080, JILA-NSF-PFC-1125844, ARO, AFOSR, and MURI-AFOSR.

  11. The Ion-Specific, Non-Equilibrium Structural Behavior of DNA Hydrogels

    NASA Astrophysics Data System (ADS)

    Nguyen, Dan; Saleh, Omar

    The highly tunable, sequence-dependent hybridization of DNA has enabled construction of DNA hydrogels with applications ranging from drug delivery to responsive materials. Though many have examined the structural characteristics of DNA hydrogels at equilibrium, relatively little is known about their non-equilibrium behavior, apart from their degradation rates when delivering molecular payloads. Here, we examine the effect of changing salt concentration on the dynamic formation, ageing, and degradation of DNA hydrogels comprised of branched DNA nanostars with palindromic overhangs. First, we observe that hydrogel phase is sensitive to the presence of a single unpaired base on the overhang, resulting in either a percolated network or a liquid-liquid phase separated state at high salt concentrations. Particular to the percolated network, we can induce the system to either contract or relax by changing the salt concentration. Decreasing monovalent NaCl induces the network to irreversibly contract whereas decreasing divalent MgCl2 induces the network to reversibly expand; this behavior runs counter to what is expected solely from electrostatic screening. We qualitatively understand these results by assuming that the monovalent salt modulates the dynamic hybridization between nanostar binding partners, whereas the divalent salt drives the dramatic/reversible induction of the `stacked-X' conformation in the DNA nanostars. Biomolecular Science and Engineering Program.

  12. Slip length of water on graphene: limitations of non-equilibrium molecular dynamics simulations.

    PubMed

    Kannam, Sridhar Kumar; Todd, B D; Hansen, J S; Daivis, Peter J

    2012-01-14

    Data for the flow rate of water in carbon nanopores is widely scattered, both in experiments and simulations. In this work, we aim at precisely quantifying the characteristic large slip length and flow rate of water flowing in a planar graphene nanochannel. First, we quantify the slip length using the intrinsic interfacial friction coefficient between water and graphene, which is found from equilibrium molecular dynamics (EMD) simulations. We then calculate the flow rate and the slip length from the streaming velocity profiles obtained using non-equilibrium molecular dynamics (NEMD) simulations and compare with the predictions from the EMD simulations. The slip length calculated from NEMD simulations is found to be extremely sensitive to the curvature of the velocity profile and it possesses large statistical errors. We therefore pose the question: Can a micrometer range slip length be reliably determined using velocity profiles obtained from NEMD simulations? Our answer is "not practical, if not impossible" based on the analysis given as the results. In the case of high slip systems such as water in carbon nanochannels, the EMD method results are more reliable, accurate, and computationally more efficient compared to the direct NEMD method for predicting the nanofluidic flow rate and hydrodynamic boundary condition.

  13. Non-equilibrium relaxation in a stochastic lattice Lotka-Volterra model.

    PubMed

    Chen, Sheng; Täuber, Uwe C

    2016-04-19

    We employ Monte Carlo simulations to study a stochastic Lotka-Volterra model on a two-dimensional square lattice with periodic boundary conditions. If the (local) prey carrying capacity is finite, there exists an extinction threshold for the predator population that separates a stable active two-species coexistence phase from an inactive state wherein only prey survive. Holding all other rates fixed, we investigate the non-equilibrium relaxation of the predator density in the vicinity of the critical predation rate. As expected, we observe critical slowing-down, i.e., a power law dependence of the relaxation time on the predation rate, and algebraic decay of the predator density at the extinction critical point. The numerically determined critical exponents are in accord with the established values of the directed percolation universality class. Following a sudden predation rate change to its critical value, one finds critical aging for the predator density autocorrelation function that is also governed by universal scaling exponents. This aging scaling signature of the active-to-absorbing state phase transition emerges at significantly earlier times than the stationary critical power laws, and could thus serve as an advanced indicator of the (predator) population's proximity to its extinction threshold.

  14. The stationary non-equilibrium plasma of cosmic-ray electrons and positrons

    NASA Astrophysics Data System (ADS)

    Tomaschitz, Roman

    2016-06-01

    The statistical properties of the two-component plasma of cosmic-ray electrons and positrons measured by the AMS-02 experiment on the International Space Station and the HESS array of imaging atmospheric Cherenkov telescopes are analyzed. Stationary non-equilibrium distributions defining the relativistic electron-positron plasma are derived semi-empirically by performing spectral fits to the flux data and reconstructing the spectral number densities of the electronic and positronic components in phase space. These distributions are relativistic power-law densities with exponential cutoff, admitting an extensive entropy variable and converging to the Maxwell-Boltzmann or Fermi-Dirac distributions in the non-relativistic limit. Cosmic-ray electrons and positrons constitute a classical (low-density high-temperature) plasma due to the low fugacity in the quantized partition function. The positron fraction is assembled from the flux densities inferred from least-squares fits to the electron and positron spectra and is subjected to test by comparing with the AMS-02 flux ratio measured in the GeV interval. The calculated positron fraction extends to TeV energies, predicting a broad spectral peak at about 1 TeV followed by exponential decay.

  15. Application of non-equilibrium plasmas in treatment of wool fibers and seeds

    NASA Astrophysics Data System (ADS)

    Petrović, Zoran

    2003-10-01

    While large effort is under way to achieve stable, large area, non-equilibrium plasma reactors operating at atmospheric pressure we should still consider application of low pressure reactors, which provide well defined, easily controlled reactive plasmas. Therefore, the application of low pressure rf plasmas for the treatment of wool and seed was investigated. The studies were aimed at establishing optimal procedure to achieve better wettability, dyeability and printability of wool. Plasma treatment led to a modification of wool fiber topography and formation of new polar functional groups inducing the increase of wool hydrophylicity. Plasma activation of fiber surface was also used to achieve better binding of biopolymer chitosan to wool in order to increase the content of favorable functional groups and thus improving sorption properties of recycled wool fibers for heavy metal ions and acid dyes. In another study, the increase of germination percentage of seeds induced by plasmas was investigated. We have selected dry (unimbibed) Empress tree seeds (Paulownia tomentosa Steud.). Empress tree seed has been studied extensively and its mechanism of germination is well documented. Germination of these seeds is triggered by light in a limited range of wavelengths. Interaction between activated plasma particles and seed, inside the plasma reactor, leads to changes in its surface topography, modifies the surface layer and increases the active surface area. Consequently, some bioactive nitrogeneous compounds could be bound to the activated surface layer causing the increment of germination percentage.

  16. Visualizing non-equilibrium lithiation of spinel oxide via in situ transmission electron microscopy

    PubMed Central

    He, Kai; Zhang, Sen; Li, Jing; Yu, Xiqian; Meng, Qingping; Zhu, Yizhou; Hu, Enyuan; Sun, Ke; Yun, Hongseok; Yang, Xiao-Qing; Zhu, Yimei; Gan, Hong; Mo, Yifei; Stach, Eric A.; Murray, Christopher B.; Su, Dong

    2016-01-01

    Spinel transition metal oxides are important electrode materials for lithium-ion batteries, whose lithiation undergoes a two-step reaction, whereby intercalation and conversion occur in a sequential manner. These two reactions are known to have distinct reaction dynamics, but it is unclear how their kinetics affects the overall electrochemical response. Here we explore the lithiation of nanosized magnetite by employing a strain-sensitive, bright-field scanning transmission electron microscopy approach. This method allows direct, real-time, high-resolution visualization of how lithiation proceeds along specific reaction pathways. We find that the initial intercalation process follows a two-phase reaction sequence, whereas further lithiation leads to the coexistence of three distinct phases within single nanoparticles, which has not been previously reported to the best of our knowledge. We use phase-field theory to model and describe these non-equilibrium reaction pathways, and to directly correlate the observed phase evolution with the battery's discharge performance. PMID:27157119

  17. Ultrafast non-equilibrium carrier dynamics in semiconductor laser mode-locking

    NASA Astrophysics Data System (ADS)

    Hader, J.; Scheller, M.; Laurain, A.; Kilen, I.; Baker, C.; Moloney, J. V.; Koch, S. W.

    2017-01-01

    Experimental and theoretical results on the mode-locking dynamics in vertical-external-cavity surface-emitting lasers with semiconductor and graphene saturable absorber mirrors are reviewed with an emphasis on the role of nonequilibrium carrier effects. The systems are studied theoretically using a fully microscopic many-body model for the carrier distributions and polarizations, coupled to Maxwell’s equations for the field propagation. Pump-probe measurements are performed with (sub-) 100 fs resolution. The analysis shows that the non-equilibrium carrier dynamics in the gain quantum-wells and saturable absorber medium significantly influences the system’s response and the resulting mode-locked pulses. The microscopic model is used to study the pulse build up from spontaneous emission noise and to determine the dependence of achievable pulse lengths and fluences on the amounts of saturable and non-saturable losses and the optical gain. The change of the group delay dispersion (GDD) on the pump level is examined and the dependence of the pulse lengths on the total amount of GDD is demonstrated experimentally. Theory-experiment comparisons are used to demonstrate the highly quantitative accuracy of the fully microscopic modeling.

  18. Improvements on non-equilibrium and transport Green function techniques: The next-generation TRANSIESTA

    NASA Astrophysics Data System (ADS)

    Papior, Nick; Lorente, Nicolás; Frederiksen, Thomas; García, Alberto; Brandbyge, Mads

    2017-03-01

    We present novel methods implemented within the non-equilibrium Green function code (NEGF) TRANSIESTA based on density functional theory (DFT). Our flexible, next-generation DFT-NEGF code handles devices with one or multiple electrodes (Ne ≥ 1) with individual chemical potentials and electronic temperatures. We describe its novel methods for electrostatic gating, contour optimizations, and assertion of charge conservation, as well as the newly implemented algorithms for optimized and scalable matrix inversion, performance-critical pivoting, and hybrid parallelization. Additionally, a generic NEGF ;post-processing; code (TBTRANS/PHTRANS) for electron and phonon transport is presented with several novelties such as Hamiltonian interpolations, Ne ≥ 1 electrode capability, bond-currents, generalized interface for user-defined tight-binding transport, transmission projection using eigenstates of a projected Hamiltonian, and fast inversion algorithms for large-scale simulations easily exceeding 106 atoms on workstation computers. The new features of both codes are demonstrated and bench-marked for relevant test systems.

  19. A process-based model for non-equilibrium clumped isotope effects in carbonates

    NASA Astrophysics Data System (ADS)

    Watkins, J. M.; Hunt, J. D.

    2015-12-01

    The equilibrium clumped isotope composition of carbonate minerals is independent of the composition of the aqueous solution. However, many carbonate minerals grow at rates that place them in a non-equilibrium regime with respect to carbon and oxygen isotopes with unknown consequences for clumped isotopes. We develop a process-based model that allows one to calculate the oxygen, carbon, and clumped isotope composition of calcite as a function of temperature, crystal growth rate, and solution pH. In the model, carbon and oxygen isotope fractionation occurs through the mass-dependent attachment/detachment kinetics of the isotopologues of HCO-3 and CO2-3 to and from the calcite surface, which in turn, influence the clumped isotope composition of calcite. At experimental and biogenic growth rates, the mineral is expected to inherit a clumped isotopic composition that is similar to that of the DIC pool, which helps to explain (1) why different organisms share the same clumped isotope versus temperature calibration curves, (2) why many inorganic calibration curves are slightly different from one another, and (3) why foraminifera, coccoliths, and deep sea corals can have near-equilibrium clumped isotope compositions but far-from-equilibrium carbon and oxygen isotope compositions. Some aspects of the model can be generalized to other mineral systems and should serve as a useful reference in future efforts to quantify kinetic clumped isotope effects.

  20. Non-equilibrium molecular dynamics simulation of the unstirred layer in the osmotically driven flow

    NASA Astrophysics Data System (ADS)

    Konno, Keito; Itano, Tomoaki; Seki, Masako

    2015-11-01

    We studied the solvent flows driven by the osmotic pressure difference across the semi-permeable membrane. The flow penetrating from the low concentration side transports away solutes adjacent of the membrane, so that the concentration is reduced significantly only at the vicinity of the membrane. It is expected that the relatively low solute concentration develops into a thin boundary layer in the vicinity of the membrane in the case of absence of external stirring process, which is termed as un-stirred layer (USL). To investigate concentration distribution in USL, we carried out non-equilibrium molecular dynamics simulations. The flows driven by th osmotic pressure are idealized as 2 dimensional hard disk model, which is composed of solvent and solute molecules. The membrane is modeled as a medium composed of stationary parallel rods distributed by a spatial interval, which is less than the diameter of the solute molecules. The following results were obtained from the numerical simulation. First, the thickness of USL, which was estimated from the obtained concentration distribution, is on the order of a length determined by mean free path. Second, USL was semicircle the center of which is on the end of pore of membrane.

  1. Anomalous long-range correlations at a non-equilibrium phase transition

    NASA Astrophysics Data System (ADS)

    Gerschenfeld, A.; Derrida, B.

    2012-02-01

    Non-equilibrium diffusive systems are known to exhibit long-range correlations, which decay like the inverse 1/L of the system size L in one dimension. Here, taking the example of the ABC model, we show that this size dependence becomes anomalous (the decay becomes a non-integer power of L) when the diffusive system approaches a second-order phase transition. This power-law decay as well as the L-dependence of the time-time correlations can be understood in terms of the dynamics of the amplitude of the first Fourier mode of the particle densities. This amplitude evolves according to a Langevin equation in a quartic potential, which was introduced in a previous work to explain the anomalous behavior of the cumulants of the current near this second-order phase transition. Here we also compute some of these cumulants away from the transition and show that they become singular as the transition is approached, matching with what we already knew in the critical regime.

  2. Inactivation Process of Penicillium digitatum Spores Treated with Non-equilibrium Atmospheric Pressure Plasma

    NASA Astrophysics Data System (ADS)

    Hashizume, Hiroshi; Ohta, Takayuki; Mori, Takumi; Iseki, Sachiko; Hori, Masaru; Ito, Masafumi

    2013-05-01

    To investigate the inactivation process of Penicillium digitatum spores treated with a non-equilibrium atmospheric pressure plasma, the spores were observed using a fluorescent microscope and compared with those treated with ultraviolet (UV) light or moist heat. The treated spores were stained with two fluorescent dyes, 1,1'-dioctadecyl-3,3,Y,3'-tetramethylindocarbocyanine perchlorate (DiI) and diphenyl-1-pyrenylphosphine (DPPP). The intracellular organelles as well as cell membranes in the spores treated with the plasma were stained with DiI without a major morphological change of the membranes, while the organelles were never stained in the spores treated with UV light or moist heat. Moreover, DPPP staining revealed that organelles were oxidized by plasma treatment unlike UV light or moist heat treatments. These results suggest that only plasma treatment induces a minor structural change or functional inhibition of cell membranes, which leads to the oxidation of the intracellular organelles without a major deformation of the membranes through the penetration of reactive oxygen species generated by the plasma into the cell.

  3. The crossover between organized and disorganized states in some non-equilibrium systems

    NASA Astrophysics Data System (ADS)

    González, Diego Luis; Téllez, Gabriel

    2009-05-01

    We study numerically the crossover between organized and disorganized states of three non-equilibrium systems: the Poisson/coalesce random walk (PCRW), a one-dimensional spin system and a quasi one-dimensional lattice gas. In all cases, we describe this crossover in terms of the average spacing between particles/domain borders langS(t)rang and the spacing distribution functions p(n)(s). The nature of the crossover is not the same for all systems; however, we found that for all systems the nearest neighbor distribution p(0)(s) is well fitted by the Berry-Robnik model. The destruction of the level repulsion in the crossover between organized and disorganized states is present in all systems. Additionally, we found that the correlations between domains in the gas and spin systems are not strong and can be neglected in a first approximation, but for the PCRW the correlations between particles must be taken into account. To find p(n)(s) with n > 1, we propose two different analytical models based on the Berry-Robnik model. Our models give us a good approximation for the statistical behavior of these systems at their crossover and allow us to quantify the degree of order/disorder of the system.

  4. Silicon surface modifications produced by non-equilibrium He, Ne and Kr plasma jets

    NASA Astrophysics Data System (ADS)

    Engelhardt, Max; Kartaschew, Konstantin; Bibinov, Nikita; Havenith, Martina; Awakowicz, Peter

    2017-01-01

    In this publication the interaction of non-equilibrium plasma jets (N-APPJs) with silicon surfaces is studied. The N-APPJs are operated with He, Ne and Kr gas flows under atmospheric pressure conditions. Plasma bullets are produced by the He and Ne N-APPJs, while a filamentary discharge is ignited in the Kr flow. All these N-APPJs produce remarkable traces on silicon wafer surfaces treated in their effluents. Different types of etching tracks, blisters and crystals are observed on the treated surfaces. The observed traces and surface modifications of silicon wafers are analyzed with optical, atomic-force, scanning electron and Raman microscopes. Based on the material composition within the etching tracks and the position and dimension of blisters and crystals, the traces observed on the silicon wafer surfaces are interpreted as traces of micro-plasmoids. Amorphous silicon is found in the etching tracks. Blisters are produced through the formation of cracks inside the silicon crystal by the interaction with micro-plasmoids. The reason for these modifications is not clear now. The density of micro-plasmoids traces on the treated silicon surface and the depth and length of the etching tracks depends strongly on the type of the used carrier gas of the N-APPJ.

  5. Non-Equilibrium Dynamics Contribute to Ion Selectivity in the KcsA Channel

    PubMed Central

    Haas, Stephan; Farley, Robert A.

    2014-01-01

    The ability of biological ion channels to conduct selected ions across cell membranes is critical for the survival of both animal and bacterial cells. Numerous investigations of ion selectivity have been conducted over more than 50 years, yet the mechanisms whereby the channels select certain ions and reject others are not well understood. Here we report a new application of Jarzynski’s Equality to investigate the mechanism of ion selectivity using non-equilibrium molecular dynamics simulations of Na+ and K+ ions moving through the KcsA channel. The simulations show that the selectivity filter of KcsA adapts and responds to the presence of the ions with structural rearrangements that are different for Na+ and K+. These structural rearrangements facilitate entry of K+ ions into the selectivity filter and permeation through the channel, and rejection of Na+ ions. A mechanistic model of ion selectivity by this channel based on the results of the simulations relates the structural rearrangement of the selectivity filter to the differential dehydration of ions and multiple-ion occupancy and describes a mechanism to efficiently select and conduct K+. Estimates of the K+/Na+ selectivity ratio and steady state ion conductance for KcsA from the simulations are in good quantitative agreement with experimental measurements. This model also accurately describes experimental observations of channel block by cytoplasmic Na+ ions, the “punch through” relief of channel block by cytoplasmic positive voltages, and is consistent with the knock-on mechanism of ion permeation. PMID:24465882

  6. Valence-bond non-equilibrium solvation model for a twisting monomethine cyanine.

    PubMed

    McConnell, Sean; McKenzie, Ross H; Olsen, Seth

    2015-02-28

    We propose and analyze a two-state valence-bond model of non-equilibrium solvation effects on the excited-state twisting reaction of monomethine cyanines. Suppression of this reaction is thought responsible for environment-dependent fluorescence yield enhancement in these dyes. Fluorescence is quenched because twisting is accompanied via the formation of dark twisted intramolecular charge-transfer (TICT) states. For monomethine cyanines, where the ground state is a superposition of structures with different bond and charge localizations, there are two possible twisting pathways with different charge localizations in the excited state. For parameters corresponding to symmetric monomethines, the model predicts two low-energy twisting channels on the excited-state surface, which leads to a manifold of TICT states. For typical monomethines, twisting on the excited state surface will occur with a small barrier or no barrier. Changes in the solvation configuration can differentially stabilize TICT states in channels corresponding to different bonds, and that the position of a conical intersection between adiabatic states moves in response to solvation to stabilize either one channel or the other. There is a conical intersection seam that grows along the bottom of the excited-state potential with increasing solvent polarity. For monomethine cyanines with modest-sized terminal groups in moderately polar solution, the bottom of the excited-state potential surface is completely spanned by a conical intersection seam.

  7. Valence-bond non-equilibrium solvation model for a twisting monomethine cyanine

    NASA Astrophysics Data System (ADS)

    McConnell, Sean; McKenzie, Ross H.; Olsen, Seth

    2015-02-01

    We propose and analyze a two-state valence-bond model of non-equilibrium solvation effects on the excited-state twisting reaction of monomethine cyanines. Suppression of this reaction is thought responsible for environment-dependent fluorescence yield enhancement in these dyes. Fluorescence is quenched because twisting is accompanied via the formation of dark twisted intramolecular charge-transfer (TICT) states. For monomethine cyanines, where the ground state is a superposition of structures with different bond and charge localizations, there are two possible twisting pathways with different charge localizations in the excited state. For parameters corresponding to symmetric monomethines, the model predicts two low-energy twisting channels on the excited-state surface, which leads to a manifold of TICT states. For typical monomethines, twisting on the excited state surface will occur with a small barrier or no barrier. Changes in the solvation configuration can differentially stabilize TICT states in channels corresponding to different bonds, and that the position of a conical intersection between adiabatic states moves in response to solvation to stabilize either one channel or the other. There is a conical intersection seam that grows along the bottom of the excited-state potential with increasing solvent polarity. For monomethine cyanines with modest-sized terminal groups in moderately polar solution, the bottom of the excited-state potential surface is completely spanned by a conical intersection seam.

  8. A numerical study of high-pressure non-equilibrium streamers for combustion ignition application

    NASA Astrophysics Data System (ADS)

    Breden, Douglas; Raja, Laxminarayan L.; Idicheria, Cherian A.; Najt, Paul M.; Mahadevan, Shankar

    2013-08-01

    We present a computational simulation study of non-equilibrium streamer discharges in a coaxial electrode and a corona geometry for automotive combustion ignition applications. The streamers propagate in combustible fuel-air mixtures at high pressures representative of internal combustion engine conditions. The study was performed using a self-consistent, two-temperature plasma model with finite-rate plasma chemical kinetics. Positive high voltage pulses of order tens of kV and duration of tens of nanoseconds were applied to the powered inner cylindrical electrode which resulted in the formation and propagation of a cathode-directed streamer. The resulting spatial and temporal production of active radical species such as O, H, and singlet delta oxygen is quantified and compared for lean and stoichiometric fuel-air mixtures. For the coaxial electrode geometry, the discharge is characterized by a primary streamer that bridges the inter-electrode gap and a secondary streamer that develops in the wake of the primary streamer. Most of the radicals are produced in the secondary streamer. For the corona geometry, only the primary streamer is observed and the radicals are produced throughout the length of the primary streamer column. The stoichiometry of the mixture was observed to have a relatively small effect on both the plasma discharge structure and the resulting yield of radical species.

  9. Non-equilibrium physics of Rydberg lattices in the presence of noise and dissipative processes

    NASA Astrophysics Data System (ADS)

    Abdussalam, Wildan; Gil, Laura I. R.

    2016-12-01

    We study the non-equilibrium dynamics of driven spin lattices in the presence of decoherence caused by either laser phase noise or strong decay. In the first case, we discriminate between correlated and uncorrelated noise and explore their effect on the mean density of Rydberg states and the full counting statistics (FCS). We find that while the mean density is almost identical in both cases, the FCS differ considerably. The main method employed is the Langevin equation (LE) but for the sake of efficiency in certain regimes, we use a Markovian master equation and Monte Carlo rate equations, respectively. In the second case, we consider dissipative systems with more general power-law interactions. We determine the phase diagram in the steady state and analyse its generation dynamics using Monte Carlo rate equations. In contrast to nearest-neighbour models, there is no transition to long-range-ordered phases for realistic interactions and resonant driving. Yet, for finite laser detunings, we show that Rydberg lattices can undergo a dissipative phase transition to a long-range-ordered antiferromagnetic (AF) phase. We identify the advantages of Monte Carlo rate equations over mean field (MF) predictions.

  10. Non-equilibrium thermodynamics and collective vibrational modes of liquid water in an inhomogeneous electric field.

    PubMed

    Wexler, Adam D; Drusová, Sandra; Woisetschläger, Jakob; Fuchs, Elmar C

    2016-06-28

    In this experiment liquid water is subject to an inhomogeneous electric field (∇(2)Ea≈ 10(10) V m(2)) using a high voltage (20 kV) point-plane electrode system. Using interferometry it was found that the application of a strong electric field gradient to water generates local changes in the refractive index of the liquid, polarizes the surface and creates a downward moving electro-convective jet. A maximum temperature difference of 1 °C is measured in the immediate vicinity of the point electrode. Raman spectroscopy performed on water reveals an enhancement of the vibrational collective modes (3250 cm(-1)) as well as an increase in the local mode (3490 cm(-1)) energy. This bimodal enhancement indicates that the spectral changes are not due to temperature changes. The intense field gradient thus establishes an excited subpopulation of vibrational oscillators far from thermal equilibrium. Delocalization of the collective vibrational mode spatially expands this excited population beyond the microscale. Hindered rotational freedom due to electric field pinning of molecular dipoles retards the heat flow and generates a chemical potential gradient. These changes are responsible for the observed changes in the refractive index and temperature. It is demonstrated that polar liquids can thus support local non-equilibrium thermodynamic transient states critical to biochemical and environmental processes.

  11. NON-EQUILIBRIUM CHEMISTRY OF DYNAMICALLY EVOLVING PRESTELLAR CORES. II. IONIZATION AND MAGNETIC FIELD

    SciTech Connect

    Tassis, Konstantinos; Willacy, Karen; Yorke, Harold W.; Turner, Neal J.

    2012-07-20

    We study the effect that non-equilibrium chemistry in dynamical models of collapsing molecular cloud cores has on measurements of the magnetic field in these cores, the degree of ionization, and the mean molecular weight of ions. We find that OH and CN, usually used in Zeeman observations of the line-of-sight magnetic field, have an abundance that decreases toward the center of the core much faster than the density increases. As a result, Zeeman observations tend to sample the outer layers of the core and consistently underestimate the core magnetic field. The degree of ionization follows a complicated dependence on the number density at central densities up to 10{sup 5} cm{sup -3} for magnetic models and 10{sup 6} cm{sup -3} in non-magnetic models. At higher central densities, the scaling approaches a power law with a slope of -0.6 and a normalization which depends on the cosmic-ray ionization rate {zeta} and the temperature T as ({zeta}T){sup 1/2}. The mean molecular weight of ions is systematically lower than the usually assumed value of 20-30, and, at high densities, approaches a value of 3 due to the asymptotic dominance of the H{sup +}{sub 3} ion. This significantly lower value implies that ambipolar diffusion operates faster.

  12. A microscopic, non-equilibrium, statistical field theory for cosmic structure formation

    NASA Astrophysics Data System (ADS)

    Bartelmann, Matthias; Fabis, Felix; Berg, Daniel; Kozlikin, Elena; Lilow, Robert; Viermann, Celia

    2016-04-01

    Building upon the recent pioneering work by Mazenko and by Das and Mazenko, we develop a microscopic, non-equilibrium, statistical field theory for initially correlated canonical ensembles of classical microscopic particles obeying Hamiltonian dynamics. Our primary target is cosmic structure formation, where initial Gaussian correlations in phase space are believed to be set by inflation. We give an exact expression for the generating functional of this theory and work out suitable approximations. We specify the initial correlations by a power spectrum and derive general expressions for the correlators of the density and the response field. We derive simple closed expressions for the lowest-order contributions to the nonlinear cosmological power spectrum, valid for arbitrary wave numbers. We further calculate the bispectrum expected in this theory within these approximations and the power spectrum of cosmic density fluctuations to first order in the gravitational interaction, using a recent improvement of the Zel’dovich approximation. We show that, with a modification motivated by the adhesion approximation, the nonlinear growth of the density power spectrum found in numerical simulations of cosmic structure evolution is reproduced well to redshift zero and for arbitrary wave numbers even within first-order perturbation theory. Our results present the first fully analytic calculation of the nonlinear power spectrum of cosmic structures.

  13. A localized momentum constraint for non-equilibrium molecular dynamics simulations.

    PubMed

    Smith, E R; Heyes, D M; Dini, D; Zaki, T A

    2015-02-21

    A method which controls momentum evolution in a sub-region within a molecular dynamics simulation is derived from Gauss's principle of least constraint. The technique for localization is founded on the equations by Irving and Kirkwood [J. Chem. Phys. 18, 817 (1950)] expressed in a weak form according to the control volume (CV) procedure derived by Smith et al. [Phys. Rev. E. 85, 056705 (2012)]. A term for the advection of molecules appears in the derived constraint and is shown to be essential in order to exactly control the time evolution of momentum in the subvolume. The numerical procedure converges the total momentum in the CV to the target value to within machine precision in an iterative manner. The localized momentum constraint can prescribe essentially arbitrary flow fields in non-equilibrium molecular dynamics simulations. The methodology also forms a rigorous mathematical framework for introducing coupling constraints at the boundary between continuum and discrete systems. This functionality is demonstrated with a boundary-driven flow test case.

  14. Optimization of an oligonucleotide microchip for microbial identification studies: a non-equilibrium dissociation approach

    NASA Technical Reports Server (NTRS)

    Liu, W. T.; Mirzabekov, A. D.; Stahl, D. A.

    2001-01-01

    The utility of a high-density oligonucleotide microarray (microchip) for identifying strains of five closely related bacilli (Bacillus anthracis, Bacillus cereus, Bacillus mycoides, Bacillus medusa and Bacillus subtilis) was demonstrated using an approach that compares the non-equilibrium dissociation rates ('melting curves') of all probe-target duplexes simultaneously. For this study, a hierarchical set of 30 oligonucleotide probes targeting the 16S ribosomal RNA of these bacilli at multiple levels of specificity (approximate taxonomic ranks of domain, kingdom, order, genus and species) was designed and immobilized in a high-density matrix of gel pads on a glass slide. Reproducible melting curves for probes with different levels of specificity were obtained using an optimized salt concentration. Clear discrimination between perfect match (PM) and mismatch (MM) duplexes was achieved. By normalizing the signals to an internal standard (a universal probe), a more than twofold discrimination (> 2.4x) was achieved between PM and 1-MM duplexes at the dissociation temperature at which 50% of the probe-target duplexes remained intact. This provided excellent differentiation among representatives of different Bacillus species, both individually and in mixtures of two or three. The overall pattern of hybridization derived from this hierarchical probe set also provided a clear 'chip fingerprint' for each of these closely related Bacillus species.

  15. A steady-state non-equilibrium molecular dynamics approach for the study of evaporation processes

    NASA Astrophysics Data System (ADS)

    Zhang, Jianguo; Müller-Plathe, Florian; Yahia-Ouahmed, Méziane; Leroy, Frédéric

    2013-10-01

    Two non-equilibrium methods (called bubble method and splitting method, respectively) have been developed and tested to study the steady state evaporation of a droplet surrounded by its vapor, where the evaporation continuously occurs at the vapor-liquid interface while the droplet size remains constant. In the bubble method, gas molecules are continuously reinserted into a free volume (represented by a bubble) located at the centre of mass of the droplet to keep the droplet size constant. In the splitting method, a molecule close to the centre of mass of the droplet is split into two: In this way, the droplet size is also maintained during the evaporation. By additional local thermostats confined to the area of insertion, the effect of frequent insertions on properties such as density and temperature can be limited to the immediate insertion area. Perturbations are not observed in other parts of the droplet. In the end, both the bubble method and the splitting method achieve steady-state droplet evaporation. Although these methods have been developed using an isolated droplet, we anticipate that they will find a wide range of applications in the study of the evaporation of isolated films and droplets or thin films on heated substrates or under confinement. They can in principle also be used to study the steady-state of other physical processes, such as the diffusion or permeation of gas molecules or ions in a pressure gradient or a concentration gradient.

  16. The effect of turbulent fluctuations on the relaxation of thermal non-equilibrium

    NASA Astrophysics Data System (ADS)

    Khurshid, Sualeh; Donzis, Diego

    2015-11-01

    In many engineering and natural systems, the microscopic behavior of constituent molecules can affect the macroscopic behavior of the flow. This interaction is significant when the two phenomena have commensurate time scales. We study the effect of turbulence on the relaxation of thermal non-equilibrium (TNE), in particular vibrational energy relaxation, using direct numerical simulation (DNS). First order effects are observed in the evolution of both vibrational energy and turbulence. For example, the rate of decay of kinetic energy is accelerated and temperature fluctuations are amplified. Analytic expressions for equilibrium vibrational energy, Ev*,and characteristic relaxation time scale, τv, are compared against DNS data and used to understand features of the decay. This decay can be divided into two regimes, one dominated by TNE exchanges in time scales of the order of τv followed by a turbulence decay. Between the two regimes, some vibrationally hot flows become cold before reaching equilibrium. This reflects an aspect of the strong coupling between turbulence and TNE in both regimes. Compressiblity effects, quantified by turbulent Mach number (Mt), are also discussed.

  17. Slowing-down of non-equilibrium concentration fluctuations in confinement

    NASA Astrophysics Data System (ADS)

    Giraudet, Cédric; Bataller, Henri; Sun, Yifei; Donev, Aleksandar; María Ortiz de Zárate, José; Croccolo, Fabrizio

    2015-09-01

    Fluctuations in a fluid are strongly affected by the presence of a macroscopic gradient making them long-ranged and enhancing their amplitude. While small-scale fluctuations exhibit diffusive lifetimes, moderate-scale fluctuations live shorter because of gravity. In this letter we explore fluctuations of even larger size, comparable to the extent of the system in the direction of the gradient, and find experimental evidence of a dramatic slowing-down of their dynamics. We recover diffusive behavior for these strongly confined fluctuations, but with a diffusion coefficient that depends on the solutal Rayleigh number. Results from dynamic shadowgraph experiments are complemented by theoretical calculations and numerical simulations based on fluctuating hydrodynamics, and excellent agreement is found. Hence, the study of the dynamics of non-equilibrium fluctuations allows to probe and measure the competition of physical processes such as diffusion, buoyancy and confinement, i.e. the ingredients included in the Rayleigh number, which is the control parameter of our system.

  18. Analyses on the Ionization Instability of Non-Equilibrium Seeded Plasma in an MHD Generator

    NASA Astrophysics Data System (ADS)

    Le, Chi Kien

    2016-06-01

    Recently, closed cycle magnetohydrodynamic power generation system research has been focused on improving the isentropic efficiency and the enthalpy extraction ratio. By reducing the cross-section area ratio of the disk magnetohydrodynamic generator, it is believed that a high isentropic efficiency can be achieved with the same enthalpy extraction. In this study, the result relating to a plasma state which takes into account the ionization instability of non-equilibrium seeded plasma is added to the theoretical prediction of the relationship between enthalpy extraction and isentropic efficiency. As a result, the electron temperature which reaches the seed complete ionization state without the growth of ionization instability can be realized at a relatively high seed fraction condition. However, the upper limit of the power generation performance is suggested to remain lower than the value expected in the low seed fraction condition. It is also suggested that a higher power generation performance may be obtained by implementing the electron temperature range which reaches the seed complete ionization state at a low seed fraction.

  19. Effect of ozone on sterilization of Penicillium digitatum using non-equilibrium atmospheric pressure plasma

    NASA Astrophysics Data System (ADS)

    Ohta, Takayuki; Iseki, Sachiko; Ito, Masafumi; Kano, Hiroyuki; Higashijima, Yasuhiro; Hori, Masaru

    2008-10-01

    Methyl bromide has been sprayed to the crops for protecting from insects and virus, but has high ozone depletion potential. Thus, the development of substitute-technology has been strongly required. We have investigated a plasma sterilization for spores of Penicillium digitatum, which causes green mold disease of the crops, using non-equilibrium atmospheric pressure plasma. The sterilization was caused by UV light, ozone, O and OH radicals. In this study, ozone density was measured and the effect to sterilization was discussed. The plasma was generated at an alternative current of 6kV and Ar gas flow rate of 3L/min. In order to investigate the sterilization mechanism of ozone, the absolute density of ozone was measured using ultraviolet absorption spectroscopy and was from 2 to 8 ppm. The sterilization by this plasma was larger than that by the ozonizer (03:600ppm). It is confirmed that the effect of ozone to the sterilization of Penicillium digitatum would be small.

  20. Collective non-equilibrium dynamics at surfaces and the spatio-temporal edge

    NASA Astrophysics Data System (ADS)

    Marcuzzi, M.; Gambassi, A.; Pleimling, M.

    2012-11-01

    Symmetries represent a fundamental constraint for physical systems and relevant new phenomena often emerge as a consequence of their breaking. An important example is provided by space- and time-translational invariance in statistical systems, which hold at a coarse-grained scale in equilibrium and are broken by spatial and temporal boundaries, the former being implemented by surfaces —unavoidable in real samples— the latter by some initial condition for the dynamics which causes a non-equilibrium evolution. While the separate effects of these two boundaries are well understood, we demonstrate here that additional, unexpected features arise upon approaching the effective edge formed by their intersection. For this purpose, we focus on the classical semi-infinite Ising model with spin-flip dynamics evolving out of equilibrium at its critical point. Considering both subcritical and critical values of the coupling among surface spins, we present numerical evidence of a scaling regime with universal features which emerges upon approaching the spatio-temporal edge and we rationalise these findings within a field-theoretical approach.