A first-principles model for orificed hollow cathode operation

NASA Technical Reports Server (NTRS)

Salhi, A.; Turchi, P. J.

1992-01-01

A theoretical model describing orificed hollow cathode discharge is presented. The approach adopted is based on a purely analytical formulation founded on first principles. The present model predicts the emission surface temperature and plasma properties such as electron temperature, number densities and plasma potential. In general, good agreements between theory and experiment are obtained. Comparison of the results with the available related experimental data shows a maximum difference of 10 percent in emission surface temperature, 20 percent in electron temperature and 35 percent in plasma potential. In case of the variation of the electron number density with the discharge current a maximum discrepancy of 36 percent is obtained. However, in the case of the variation with the cathode internal pressure, the predicted electron number density is higher than the experimental data by a maximum factor of 2.

Monte Carlo study of one-dimensional confined fluids with Gay-Berne intermolecular potential

NASA Astrophysics Data System (ADS)

Moradi, M.; Hashemi, S.

2011-11-01

The thermodynamic quantities of a one dimensional system of particles with Gay-Berne model potential confined between walls have been obtained by means of Monte Carlo computer simulations. For a number of temperatures, the systems were considered and their density profiles, order parameter, pressure, configurational temperature and average potential energy per particle are reported. The results show that by decreasing the temperature, the soft particles become more ordered and they align to the walls and also they don't show any tendency to be near the walls at very low temperatures. We have also changed the structure of the walls by embedding soft ellipses in them, this change increases the total density near the wall whereas, increasing or decreasing the order parameter depend on the angle of embedded ellipses.

Thermodynamics and structural transition of binary atomic Bose-Fermi mixtures in box or harmonic potentials: A path-integral study

NASA Astrophysics Data System (ADS)

Kim, Tom; Chien, Chih-Chun

2018-03-01

Experimental realizations of a variety of atomic binary Bose-Fermi mixtures have brought opportunities for studying composite quantum systems with different spin statistics. The binary atomic mixtures can exhibit a structural transition from a mixture into phase separation as the boson-fermion interaction increases. By using a path-integral formalism to evaluate the grand partition function and the thermodynamic grand potential, we obtain the effective potential of binary Bose-Fermi mixtures. Thermodynamic quantities in a broad range of temperatures and interactions are also derived. The structural transition can be identified as a loop of the effective potential curve, and the volume fraction of phase separation can be determined by the lever rule. For 6Li-7Li and 6Li-41K mixtures, we present the phase diagrams of the mixtures in a box potential at zero and finite temperatures. Due to the flexible densities of atomic gases, the construction of phase separation is more complicated when compared to conventional liquid or solid mixtures where the individual densities are fixed. For harmonically trapped mixtures, we use the local density approximation to map out the finite-temperature density profiles and present typical trap structures, including the mixture, partially separated phases, and fully separated phases.

Waterlike anomalies in a two-dimensional core-softened potential

NASA Astrophysics Data System (ADS)

Bordin, José Rafael; Barbosa, Marcia C.

2018-02-01

We investigate the structural, thermodynamic, and dynamic behavior of a two-dimensional (2D) core-corona system using Langevin dynamics simulations. The particles are modeled by employing a core-softened potential which exhibits waterlike anomalies in three dimensions. In previous studies in a quasi-2D system a new region in the pressure versus temperature phase diagram of structural anomalies was observed. Here we show that for the two-dimensional case two regions in the pressure versus temperature phase diagram with structural, density, and diffusion anomalies are observed. Our findings indicate that, while the anomalous region at lower densities is due the competition between the two length scales in the potential at higher densities, the anomalous region is related to the reentrance of the melting line.

May–June Maximum Temperature Reconstruction from Mean Earlywood Density in North Central China and Its Linkages to the Summer Monsoon Activities

PubMed Central

Chen, Feng; Yuan, Yujiang

2014-01-01

Cores of Pinus tabulaformis from Tianshui were subjected to densitometric analysis to obtain mean earlywood density data. Climate response analysis indicates that May–June maximum temperature is the main factor limiting the mean earlywood density (EWD) of Chinese pine trees in the Shimen Mountains. Based on the EWD chronology, we have reconstructed May–June maximum temperature 1666 to 2008 for Tianshui, north central China. The reconstruction explains 40.1% of the actual temperature variance during the common period 1953–2008. The temperature reconstruction is representative of temperature conditions over a large area to the southeast and northwest of the sampling site. Preliminary analysis of links between large-scale climatic variation and the temperature reconstruction shows that there is a relationship between extremes in spring temperature and anomalous atmospheric circulation in the region. It is thus revealed that the mean earlywood density chronology of Pinus tabulaformis has enough potential to reconstruct the temperature variability further into the past. PMID:25207554

Osmotic potential calculations of inorganic and organic aqueous solutions over wide solute concentration levels and temperatures.

PubMed

Cochrane, T T; Cochrane, T A

2016-01-01

To demonstrate that the authors' new "aqueous solution vs pure water" equation to calculate osmotic potential may be used to calculate the osmotic potentials of inorganic and organic aqueous solutions over wide ranges of solute concentrations and temperatures. Currently, the osmotic potentials of solutions used for medical purposes are calculated from equations based on the thermodynamics of the gas laws which are only accurate at low temperature and solute concentration levels. Some solutions used in medicine may need their osmotic potentials calculated more accurately to take into account solute concentrations and temperatures. The authors experimented with their new equation for calculating the osmotic potentials of inorganic and organic aqueous solutions up to and beyond body temperatures by adjusting three of its factors; (a) the volume property of pure water, (b) the number of "free" water molecules per unit volume of solution, "Nf," and (c) the "t" factor expressing the cooperative structural relaxation time of pure water at given temperatures. Adequate information on the volume property of pure water at different temperatures is available in the literature. However, as little information on the relative densities of inorganic and organic solutions, respectively, at varying temperatures needed to calculate Nf was available, provisional equations were formulated to approximate values. Those values together with tentative t values for different temperatures chosen from values calculated by different workers were substituted into the authors' equation to demonstrate how osmotic potentials could be estimated over temperatures up to and beyond bodily temperatures. The provisional equations formulated to calculate Nf, the number of free water molecules per unit volume of inorganic and organic solute solutions, respectively, over wide concentration ranges compared well with the calculations of Nf using recorded relative density data at 20 °C. They were subsequently used to estimate Nf values at temperatures up to and excess of body temperatures. Those values, together with t values at temperatures up to and in excess of body temperatures recorded in the literature, were substituted in the authors' equation for the provisional calculation of osmotic potentials. The calculations indicated that solution temperatures and solute concentrations have a marked effect on osmotic potentials. Following work to measure the relative densities of aqueous solutions for the calculation of Nf values and the determination of definitive t values up to and beyond bodily temperatures, the authors' equation would enable the accurate estimations of the osmotic potentials of wide concentrations of aqueous solutions of inorganic and organic solutes over the temperature range. The study illustrates that not only solute concentrations but also temperatures have a marked effect on osmotic potentials, an observation of medical and biological significance.

Rotating disk electrode system for elevated pressures and temperatures.

PubMed

Fleige, M J; Wiberg, G K H; Arenz, M

2015-06-01

We describe the development and test of an elevated pressure and temperature rotating disk electrode (RDE) system that allows measurements under well-defined mass transport conditions. As demonstrated for the oxygen reduction reaction on polycrystalline platinum (Pt) in 0.5M H2SO4, the setup can easily be operated in a pressure range of 1-101 bar oxygen, and temperature of 140 °C. Under such conditions, diffusion limited current densities increase by almost two orders of magnitude as compared to conventional RDE setups allowing, for example, fuel cell catalyst studies under more realistic conditions. Levich plots demonstrate that the mass transport is indeed well-defined, i.e., at low electrode potentials, the measured current densities are fully diffusion controlled, while at higher potentials, a mixed kinetic-diffusion controlled regime is observed. Therefore, the setup opens up a new field for RDE investigations under temperature and current density conditions relevant for low and high temperature proton exchange membrane fuel cells.

Rotating disk electrode system for elevated pressures and temperatures

NASA Astrophysics Data System (ADS)

Fleige, M. J.; Wiberg, G. K. H.; Arenz, M.

2015-06-01

We describe the development and test of an elevated pressure and temperature rotating disk electrode (RDE) system that allows measurements under well-defined mass transport conditions. As demonstrated for the oxygen reduction reaction on polycrystalline platinum (Pt) in 0.5M H2SO4, the setup can easily be operated in a pressure range of 1-101 bar oxygen, and temperature of 140 °C. Under such conditions, diffusion limited current densities increase by almost two orders of magnitude as compared to conventional RDE setups allowing, for example, fuel cell catalyst studies under more realistic conditions. Levich plots demonstrate that the mass transport is indeed well-defined, i.e., at low electrode potentials, the measured current densities are fully diffusion controlled, while at higher potentials, a mixed kinetic-diffusion controlled regime is observed. Therefore, the setup opens up a new field for RDE investigations under temperature and current density conditions relevant for low and high temperature proton exchange membrane fuel cells.

Connection formulas for thermal density functional theory

DOE PAGES

Pribram-Jones, A.; Burke, K.

2016-05-23

We show that the adiabatic connection formula of ground-state density functional theory relates the correlation energy to a coupling-constant integral over a purely potential contribution, and is widely used to understand and improve approximations. The corresponding formula for thermal density functional theory is cast as an integral over temperatures instead, ranging upward from the system's physical temperature. We also show how to relate different correlation components to each other, either in terms of temperature or coupling-constant integrations. Lastly, we illustrate our results on the uniform electron gas.

Time-dependent i-DFT exchange-correlation potentials with memory: applications to the out-of-equilibrium Anderson model

NASA Astrophysics Data System (ADS)

Kurth, Stefan; Stefanucci, Gianluca

2018-06-01

We have recently put forward a steady-state density functional theory (i-DFT) to calculate the transport coefficients of quantum junctions. Within i-DFT it is possible to obtain the steady density on and the steady current through an interacting junction using a fictitious noninteracting junction subject to an effective gate and bias potential. In this work we extend i-DFT to the time domain for the single-impurity Anderson model. By a reverse engineering procedure we extract the exchange-correlation (xc) potential and xc bias at temperatures above the Kondo temperature T K. The derivation is based on a generalization of a recent paper by Dittmann et al. [N. Dittmann et al., Phys. Rev. Lett. 120, 157701 (2018)]. Interestingly the time-dependent (TD) i-DFT potentials depend on the system's history only through the first time-derivative of the density. We perform numerical simulations of the early transient current and investigate the role of the history dependence. We also empirically extend the history-dependent TD i-DFT potentials to temperatures below T K. For this purpose we use a recently proposed parametrization of the i-DFT potentials which yields highly accurate results in the steady state.

Temperature and density anti-correlations in solar wind fluctuations

NASA Technical Reports Server (NTRS)

Zank, G. P.; Matthaeus, W. H.; Klein, L. W.

1990-01-01

Recent theoretical investigations of low Mach number flows, that describe two distinct approaches by fluids to the incompressible regime are summarized. The first includes the effects of relatively strong density and temperature fluctuations (Type I), while the second places fluctuations in mechanical pressure, density, and temperature on an equal footing (Type II). In the latter case, the relations between density and pressure are recovered, whereas the former case yields departures from incompressible behavior in that density and temperature fluctuations are predicted to be anti-correlated. It is suggested that nearly incompressible fluids can be classified as either Type I or II, and it is shown that the well-known pressure-balanced structures represent a subclass of static solutions within this classification. Two examples from Voyager data illustrate the potential for observing these distinct nearly incompressible dynamical ordering in the solar wind.

Preliminary scaling laws for plasma current, ion kinetic temperature, and plasma number density in the NASA Lewis bumpy torus plasma

NASA Technical Reports Server (NTRS)

Roth, J. R.

1976-01-01

Parametric variation of independent variables which may affect the characteristics of bumpy torus plasma have identified those which have a significant effect on the plasma current, ion kinetic temperature, and plasma number density, and those which do not. Empirical power law correlations of the plasma current, and the ion kinetic temperature and number density were obtained as functions of potential applied to the midplane electrode rings, the background neutral gas pressure, and the magnetic field strength. Additional parameters studied included the type of gas, the polarity of the midplane electrode rings, the mode of plasma operation, and the method of measuring the plasma number density. No significant departures from the scaling laws appear to occur at the highest ion kinetic temperatures or number densities obtained to date.

Blue intensity and density from northern Fennoscandian tree rings, exploring the potential to improve summer temperature reconstructions with earlywood information

NASA Astrophysics Data System (ADS)

Björklund, J. A.; Gunnarson, B. E.; Seftigen, K.; Esper, J.; Linderholm, H. W.

2014-04-01

Here we explore two new tree-ring parameters, derived from measurements of wood density and blue intensity (BI). The new proxies show an increase in the interannual summer temperature signal compared to established proxies, and present the potential to improve long-term performance. At high latitudes, where tree growth is mainly limited by low temperatures, radiodensitometric measurements of wood density, specifically maximum latewood density (MXD), provides a temperature proxy that is superior to that of tree-ring widths. The high cost of developing MXD has led to experimentation with a less expensive method using optical flatbed scanners to produce a new proxy, herein referred to as maximum latewood blue absorption intensity (abbreviated MXBI). MXBI is shown to be very similar to MXD on annual timescales but less accurate on centennial timescales. This is due to the fact that extractives, such as resin, stain the wood differentially from tree to tree and from heartwood to sapwood. To overcome this problem, and to address similar potential problems in radiodensitometric measurements, the new parameters Δblue intensity (ΔBI) and Δdensity are designed by subtracting the ambient BI/density in the earlywood, as a background value, from the latewood measurements. As a case-study, based on Scots pine trees from Northern Sweden, we show that Δdensity can be used as a quality control of MXD values and that the reconstructive performance of warm-season mean temperatures is more focused towards the summer months (JJA - June, July, August), with an increase by roughly 20% when also utilising the interannual information from the earlywood. However, even though the new parameter ΔBI experiences an improvement as well, there are still puzzling dissimilarities between Δdensity and ΔBI on multicentennial timescales. As a consequence, temperature reconstructions based on ΔBI will presently only be able to resolve information on decadal-to-centennial timescales. The possibility of trying to calibrate BI into a measure of lignin content or density, similarly to how radiographic measurements are calibrated into density, could be a solution. If this works, only then can ΔBI be used as a reliable proxy in multicentennial-scale climate reconstructions.

Evidence of Collisionless Shocks in a Hall Thruster Plume

DTIC Science & Technology

2003-04-25

Triple Langmuir probes and emissive probes are used to measure the electron number density, electron temperature, and plasma potential downstream of a low-power Hall thruster . The results show a high density plasma core with elevated electron temperature and plasma potential along the thruster centerline. These properties are believed to be due to collisionless shocks formed as a result of the ion/ion acoustic instability. A simple model is presented that shows the existence of a collisionless shock to be consistent with the observed phenomena.

Graphene, a material for high temperature devices – intrinsic carrier density, carrier drift velocity, and lattice energy

PubMed Central

Yin, Yan; Cheng, Zengguang; Wang, Li; Jin, Kuijuan; Wang, Wenzhong

2014-01-01

Heat has always been a killing matter for traditional semiconductor machines. The underlining physical reason is that the intrinsic carrier density of a device made from a traditional semiconductor material increases very fast with a rising temperature. Once reaching a temperature, the density surpasses the chemical doping or gating effect, any p-n junction or transistor made from the semiconductor will fail to function. Here, we measure the intrinsic Fermi level (|EF| = 2.93 kBT) or intrinsic carrier density (nin = 3.87 × 106 cm−2K−2·T2), carrier drift velocity, and G mode phonon energy of graphene devices and their temperature dependencies up to 2400 K. Our results show intrinsic carrier density of graphene is an order of magnitude less sensitive to temperature than those of Si or Ge, and reveal the great potentials of graphene as a material for high temperature devices. We also observe a linear decline of saturation drift velocity with increasing temperature, and identify the temperature coefficients of the intrinsic G mode phonon energy. Above knowledge is vital in understanding the physical phenomena of graphene under high power or high temperature. PMID:25044003

Finite grid radius and thickness effects on retarding potential analyzer measured suprathermal electron density and temperature

NASA Technical Reports Server (NTRS)

Knudsen, William C.

1992-01-01

The effect of finite grid radius and thickness on the electron current measured by planar retarding potential analyzers (RPAs) is analyzed numerically. Depending on the plasma environment, the current is significantly reduced below that which is calculated using a theoretical equation derived for an idealized RPA having grids with infinite radius and vanishingly small thickness. A correction factor to the idealized theoretical equation is derived for the Pioneer Venus (PV) orbiter RPA (ORPA) for electron gasses consisting of one or more components obeying Maxwell statistics. The error in density and temperature of Maxwellian electron distributions previously derived from ORPA data using the theoretical expression for the idealized ORPA is evaluated by comparing the densities and temperatures derived from a sample of PV ORPA data using the theoretical expression with and without the correction factor.

Bypassing the malfunction junction in warm dense matter simulations

NASA Astrophysics Data System (ADS)

Cangi, Attila; Pribram-Jones, Aurora

2015-03-01

Simulation of warm dense matter requires computational methods that capture both quantum and classical behavior efficiently under high-temperature and high-density conditions. The state-of-the-art approach to model electrons and ions under those conditions is density functional theory molecular dynamics, but this method's computational cost skyrockets as temperatures and densities increase. We propose finite-temperature potential functional theory as an in-principle-exact alternative that suffers no such drawback. In analogy to the zero-temperature theory developed previously, we derive an orbital-free free energy approximation through a coupling-constant formalism. Our density approximation and its associated free energy approximation demonstrate the method's accuracy and efficiency. A.C. has been partially supported by NSF Grant CHE-1112442. A.P.J. is supported by DOE Grant DE-FG02-97ER25308.

Preliminary scaling laws for plasma current, ion kinetic temperature, and plasma number density in the NASA Lewis Bumpy Torus plasma

NASA Technical Reports Server (NTRS)

Roth, J. R.

1976-01-01

Parametric variation of independent variables which may affect the characteristics of the NASA Lewis Bumpy Torus plasma have identified those which have a significant effect on the plasma current, ion kinetic temperature, and plasma number density, and those which do not. Empirical power-law correlations of the plasma current, and the ion kinetic temperature and number density were obtained as functions of the potential applied to the midplane electrode rings, the background neutral gas pressure, and the magnetic field strength. Additional parameters studied include the type of gas, the polarity of the midplane electrode rings (and hence the direction of the radial electric field), the mode of plasma operation, and the method of measuring the plasma number density. No significant departures from the scaling laws appear to occur at the highest ion kinetic temperatures or number densities obtained to date.

Thermodynamic properties of water in confined environments: a Monte Carlo study

NASA Astrophysics Data System (ADS)

Gladovic, Martin; Bren, Urban; Urbic, Tomaž

2018-05-01

Monte Carlo simulations of Mercedes-Benz water in a crowded environment were performed. The simulated systems are representative of both composite, porous or sintered materials and living cells with typical matrix packings. We studied the influence of overall temperature as well as the density and size of matrix particles on water density, particle distributions, hydrogen bond formation and thermodynamic quantities. Interestingly, temperature and space occupancy of matrix exhibit a similar effect on water properties following the competition between the kinetic and the potential energy of the system, whereby temperature increases the kinetic and matrix packing decreases the potential contribution. A novel thermodynamic decomposition approach was applied to gain insight into individual contributions of different types of inter-particle interactions. This decomposition proved to be useful and in good agreement with the total thermodynamic quantities especially at higher temperatures and matrix packings, where higher-order potential-energy mixing terms lose their importance.

Thermal density functional theory, ensemble density functional theory, and potential functional theory for warm dense matter

NASA Astrophysics Data System (ADS)

Pribram-Jones, Aurora

Warm dense matter (WDM) is a high energy phase between solids and plasmas, with characteristics of both. It is present in the centers of giant planets, within the earth's core, and on the path to ignition of inertial confinement fusion. The high temperatures and pressures of warm dense matter lead to complications in its simulation, as both classical and quantum effects must be included. One of the most successful simulation methods is density functional theory-molecular dynamics (DFT-MD). Despite great success in a diverse array of applications, DFT-MD remains computationally expensive and it neglects the explicit temperature dependence of electron-electron interactions known to exist within exact DFT. Finite-temperature density functional theory (FT DFT) is an extension of the wildly successful ground-state DFT formalism via thermal ensembles, broadening its quantum mechanical treatment of electrons to include systems at non-zero temperatures. Exact mathematical conditions have been used to predict the behavior of approximations in limiting conditions and to connect FT DFT to the ground-state theory. An introduction to FT DFT is given within the context of ensemble DFT and the larger field of DFT is discussed for context. Ensemble DFT is used to describe ensembles of ground-state and excited systems. Exact conditions in ensemble DFT and the performance of approximations depend on ensemble weights. Using an inversion method, exact Kohn-Sham ensemble potentials are found and compared to approximations. The symmetry eigenstate Hartree-exchange approximation is in good agreement with exact calculations because of its inclusion of an ensemble derivative discontinuity. Since ensemble weights in FT DFT are temperature-dependent Fermi weights, this insight may help develop approximations well-suited to both ground-state and FT DFT. A novel, highly efficient approach to free energy calculations, finite-temperature potential functional theory, is derived, which has the potential to transform the simulation of warm dense matter. As a semiclassical method, it connects the normally disparate regimes of cold condensed matter physics and hot plasma physics. This orbital-free approach captures the smooth classical density envelope and quantum density oscillations that are both crucial to accurate modeling of materials where temperature and pressure effects are influential.

Osmotic potential calculations of inorganic and organic aqueous solutions over wide solute concentration levels and temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cochrane, T. T., E-mail: agteca@hotmail.com; Cochrane, T. A., E-mail: tom.cochrane@canterbury.ac.nz

Purpose: To demonstrate that the authors’ new “aqueous solution vs pure water” equation to calculate osmotic potential may be used to calculate the osmotic potentials of inorganic and organic aqueous solutions over wide ranges of solute concentrations and temperatures. Currently, the osmotic potentials of solutions used for medical purposes are calculated from equations based on the thermodynamics of the gas laws which are only accurate at low temperature and solute concentration levels. Some solutions used in medicine may need their osmotic potentials calculated more accurately to take into account solute concentrations and temperatures. Methods: The authors experimented with their newmore » equation for calculating the osmotic potentials of inorganic and organic aqueous solutions up to and beyond body temperatures by adjusting three of its factors; (a) the volume property of pure water, (b) the number of “free” water molecules per unit volume of solution, “N{sub f},” and (c) the “t” factor expressing the cooperative structural relaxation time of pure water at given temperatures. Adequate information on the volume property of pure water at different temperatures is available in the literature. However, as little information on the relative densities of inorganic and organic solutions, respectively, at varying temperatures needed to calculate N{sub f} was available, provisional equations were formulated to approximate values. Those values together with tentative t values for different temperatures chosen from values calculated by different workers were substituted into the authors’ equation to demonstrate how osmotic potentials could be estimated over temperatures up to and beyond bodily temperatures. Results: The provisional equations formulated to calculate N{sub f}, the number of free water molecules per unit volume of inorganic and organic solute solutions, respectively, over wide concentration ranges compared well with the calculations of N{sub f} using recorded relative density data at 20 °C. They were subsequently used to estimate N{sub f} values at temperatures up to and excess of body temperatures. Those values, together with t values at temperatures up to and in excess of body temperatures recorded in the literature, were substituted in the authors’ equation for the provisional calculation of osmotic potentials. The calculations indicated that solution temperatures and solute concentrations have a marked effect on osmotic potentials. Conclusions: Following work to measure the relative densities of aqueous solutions for the calculation of N{sub f} values and the determination of definitive t values up to and beyond bodily temperatures, the authors’ equation would enable the accurate estimations of the osmotic potentials of wide concentrations of aqueous solutions of inorganic and organic solutes over the temperature range. The study illustrates that not only solute concentrations but also temperatures have a marked effect on osmotic potentials, an observation of medical and biological significance.« less

Distinct aggregation patterns and fluid porous phase in a 2D model for colloids with competitive interactions

NASA Astrophysics Data System (ADS)

Bordin, José Rafael

2018-04-01

In this paper we explore the self-assembly patterns in a two dimensional colloidal system using extensive Langevin Dynamics simulations. The pair potential proposed to model the competitive interaction have a short range length scale between first neighbors and a second characteristic length scale between third neighbors. We investigate how the temperature and colloidal density will affect the assembled morphologies. The potential shows aggregate patterns similar to observed in previous works, as clusters, stripes and porous phase. Nevertheless, we observe at high densities and temperatures a porous mesophase with a high mobility, which we name fluid porous phase, while at lower temperatures the porous structure is rigid. triangular packing was observed for the colloids and pores in both solid and fluid porous phases. Our results show that the porous structure is well defined for a large range of temperature and density, and that the fluid porous phase is a consequence of the competitive interaction and the random forces from the Langevin Dynamics.

Monte Carlo Study of Melting of a Model Bulk Ice.

NASA Astrophysics Data System (ADS)

Han, Kyu-Kwang

The methods of NVT (constant number, volume and temperature) and NPT (constant number, pressure and temperature) Monte Carlo computer simulations are used to examine the melting of a periodic hexagonal ice (ice Ih) sample with a unit cell of 192 (rigid) water molecules interacting via the revised central force potentials of Stillinger and Rahman (RSL2). In NVT Monte Carlo simulation of P-T plot for a constant density (0.904g/cm^3) is used to locate onset of the liquid-solid coexistence region (where the slope of the pressure changes sign) and estimate the (constant density) melting point. The slope reversal is a natural consequence of the constant density condition for substances which expand upon freezing and it is pointed out that this analysis is extremely useful for substances such as water. In this study, a sign reversal of the pressure slope is observed near 280 K, indicating that the RSL2 potentials reproduce the freezing expansion expected for water and support a bulk ice Ih system which melts <280 K. The internal energy, specific heat, and two dimensional structure factors for the constant density H_2O system are also examined at a range of temperatures between 100 and 370 K and support the P-T analysis for location of the melting point. This P-T analysis might likewise be useful for determining a (constant density) freezing point, or, with multiple simulations at appropriate densities, the triple point. For NPT Monte Carlo simulations preliminary results are presented. In this study the density, enthalpy, specific heat, and structure factor dependences on temperature are monitored during a sequential heating of the system from 100 to 370 K at a constant pressure (1 atm.). A jump in density upon melting is observed and indicates that the RSL2 potentials reproduce the melting contraction of ice. From the dependences of monitored physical properties on temperature an upper bound on the melting temperature is estimated. In this study we made the first analysis and calculation of the P-T curve for ice Ih melting at constant volume and the first NPT study of ice and of ice melting. In the NVT simulation we found for rho = 0.904g/cm^3 T_ {rm m} ~eq 280 K which is much closer to physical T_ {rm m} than any other published NVT simulation of ice. Finally it is shown that RSL2 potentials do a credible job of describing the thermodynamic properties of ice Ih near its melting point.

Hybrid thermionic-photovoltaic converter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Datas, A.

2016-04-04

A conceptual device for the direct conversion of heat into electricity is presented. This concept hybridizes thermionic (TI) and thermophotovoltaic (TPV) energy conversion in a single thermionic-photovoltaic (TIPV) solid-state device. This device transforms into electricity both the electron and photon fluxes emitted by an incandescent surface. This letter presents an idealized analysis of this device in order to determine its theoretical potential. According to this analysis, the key advantage of this converter, with respect to either TPV or TI, is the higher power density in an extended temperature range. For low temperatures, TIPV performs like TPV due to the negligiblemore » electron flux. On the contrary, for high temperatures, TIPV performs like TI due to the great enhancement of the electron flux, which overshadows the photon flux contribution. At the intermediate temperatures, ∼1650 K in the case of this particular study, I show that the power density potential of TIPV converter is twice as great as that of TPV and TI. The greatest impact concerns applications in which the temperature varies in a relatively wide range, for which averaged power density enhancement above 500% is attainable.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Chen, E-mail: chuang3@fsu.edu

A key element in the density functional embedding theory (DFET) is the embedding potential. We discuss two major issues related to the embedding potential: (1) its non-uniqueness and (2) the numerical difficulty for solving for it, especially for the spin-polarized systems. To resolve the first issue, we extend DFET to finite temperature: all quantities, such as the subsystem densities and the total system’s density, are calculated at a finite temperature. This is a physical extension since materials work at finite temperatures. We show that the embedding potential is strictly unique at T > 0. To resolve the second issue, wemore » introduce an efficient iterative embedding potential solver. We discuss how to relax the magnetic moments in subsystems and how to equilibrate the chemical potentials across subsystems. The solver is robust and efficient for several non-trivial examples, in all of which good quality spin-polarized embedding potentials were obtained. We also demonstrate the solver on an extended periodic system: iron body-centered cubic (110) surface, which is related to the modeling of the heterogeneous catalysis involving iron, such as the Fischer-Tropsch and the Haber processes. This work would make it efficient and accurate to perform embedding simulations of some challenging material problems, such as the heterogeneous catalysis and the defects of complicated spin configurations in electronic materials.« less

The effect of grid transparency and finite collector size on determining ion temperature and density by the retarding potential analyzer

NASA Technical Reports Server (NTRS)

Troy, B. E., Jr.; Maier, E. J.

1973-01-01

The analysis of ion data from retarding potential analyzers (RPA's) is generally done under the planar approximation, which assumes that the grid transparency is constant with angle of incidence and that all ions reaching the plane of the collectors are collected. These approximations are not valid for situations in which the ion thermal velocity is comparable to the vehicle velocity, causing ions to enter the RPA with high average transverse velocity. To investigate these effects, the current-voltage curves for H+ at 4000 K were calculated, taking into account the finite collector size and the variation of grid transparency with angle. These curves are then analyzed under the planar approximation. The results show that only small errors in temperature and density are introduced for an RPA with typical dimensions; and that even when the density error is substantial for non-typical dimensions, the temperature error remains minimal.

Survival of charged ρ condensation at high temperature and density

NASA Astrophysics Data System (ADS)

Liu, Hao; Yu, Lang; Huang, Mei

2016-02-01

The charged vector ρ mesons in the presence of external magnetic fields at finite temperature T and chemical potential μ have been investigated in the framework of the Nambu-Jona-Lasinio model. We compute the masses of charged ρ mesons numerically as a function of the magnetic field for different values of temperature and chemical potential. The self-energy of the ρ meson contains the quark-loop contribution, i.e. the leading order contribution in 1/Nc expansion. The charged ρ meson mass decreases with the magnetic field and drops to zero at a critical magnetic field eBc, which indicates that the charged vector meson condensation, i.e. the electromagnetic superconductor can be induced above the critical magnetic field. Surprisingly, it is found that the charged ρ condensation can even survive at high temperature and density. At zero temperature, the critical magnetic field just increases slightly with the chemical potential, which indicates that charged ρ condensation might occur inside compact stars. At zero density, in the temperature range 0.2-0.5 GeV, the critical magnetic field for charged ρ condensation is in the range of 0.2-0.6 GeV2, which indicates that a high temperature electromagnetic superconductor might be created at LHC. Supported by the NSFC (11275213, 11261130311) (CRC 110 by DFG and NSFC), CAS Key Project (KJCX2-EW-N01), and Youth Innovation Promotion Association of CAS. L.Yu is Partially Supported by China Postdoctoral Science Foundation (2014M550841)

Communication: Simple liquids' high-density viscosity

NASA Astrophysics Data System (ADS)

Costigliola, Lorenzo; Pedersen, Ulf R.; Heyes, David M.; Schrøder, Thomas B.; Dyre, Jeppe C.

2018-02-01

This paper argues that the viscosity of simple fluids at densities above that of the triple point is a specific function of temperature relative to the freezing temperature at the density in question. The proposed viscosity expression, which is arrived at in part by reference to the isomorph theory of systems with hidden scale invariance, describes computer simulations of the Lennard-Jones system as well as argon and methane experimental data and simulation results for an effective-pair-potential model of liquid sodium.

High performance direct methanol fuel cell with thin electrolyte membrane

NASA Astrophysics Data System (ADS)

Wan, Nianfang

2017-06-01

A high performance direct methanol fuel cell is achieved with thin electrolyte membrane. 320 mW cm-2 of peak power density and over 260 mW cm-2 at 0.4 V are obtained when working at 90 °C with normal pressure air supply. It is revealed that the increased anode half-cell performance with temperature contributes primarily to the enhanced performance at elevated temperature. From the comparison of iR-compensated cathode potential of methanol/air with that of H2/air fuel cell, the impact of methanol crossover on cathode performance decreases with current density and becomes negligible at high current density. Current density is found to influence fuel efficiency and methanol crossover significantly from the measurement of fuel efficiency at different current density. At high current density, high fuel efficiency can be achieved even at high temperature, indicating decreased methanol crossover.

Modeling a simple coronal streamer during whole sun month

NASA Technical Reports Server (NTRS)

Gibson, S. E.; Bagenal, F.; Biesecker, D.; Guhathakurta, M.; Hoeksema, J. T.; Thompson, B. J.

1997-01-01

The solar minimum streamer structure observed during the whole sun month was modeled. The Van de Hulst inversion was used in order to determine the coronal electron density profiles and scale-height temperature profiles. The axisymmetric magnetostatic model of Gibson, Bagenal and Low was also used. The density, temperature, and magnetic field distribution were quantified using both coronal white light data and photospheric magnetic field data from the Wilcox Solar Observatory. The densities and temperatures obtained by the Van de Hulst and magnetostatic models are compared to the magnetic field predicted by the magnetostatic model to a potential field extrapolated from the photosphere.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pribram-Jones, A.; Burke, K.

We show that the adiabatic connection formula of ground-state density functional theory relates the correlation energy to a coupling-constant integral over a purely potential contribution, and is widely used to understand and improve approximations. The corresponding formula for thermal density functional theory is cast as an integral over temperatures instead, ranging upward from the system's physical temperature. We also show how to relate different correlation components to each other, either in terms of temperature or coupling-constant integrations. Lastly, we illustrate our results on the uniform electron gas.

Soil temperature variability in complex terrain measured using fiber-optic distributed temperature sensing

USDA-ARS?s Scientific Manuscript database

Soil temperature (Ts) exerts critical controls on hydrologic and biogeochemical processes but magnitude and nature of Ts variability in a landscape setting are rarely documented. Fiber optic distributed temperature sensing systems (FO-DTS) potentially measure Ts at high density over a large extent. ...

Freezing of simple systems using density functional theory

NASA Astrophysics Data System (ADS)

de Kuijper, A.; Vos, W. L.; Barrat, J.-L.; Hansen, J.-P.; Schouten, J. A.

1990-10-01

Density functional theory (DFT) has been applied to the study of the fluid-solid transition in systems with realistic potentials (soft cores and attractive forces): the purely repulsive WCA Lennard-Jones reference potential (LJT), the full Lennard-Jones potential (LJ) and the exponential-6 potential appropriate for helium and hydrogen. Three different DFT formalisms were used: the formulation of Haymet and Oxtoby (HO) and the new theories of Denton and Ashcroft (MWDA) and of Baus (MELA). The results for the melting pressure are compared with recent simulation and experimental data. The results of the HO version are always too high, the deviation increasing when going from the repulsive Lennard-Jones to the exponential-6 potential of H2. The MWDA gives too low results for the repulsive Lennard-Jones potential. At low temperatures, it fails for the full LJ potential while at high temperatures it is in good agreement. Including the attraction as a mean-field correction gives good results also for low temperatures. The MWDA results are too high for the exponential-6 potentials. The MELA fails completely for the LJT potential and the hydrogen exponential-6 potential, since it does not give a stable solid phase.

Entropy density of an adiabatic relativistic Bose-Einstein condensate star

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khaidir, Ahmad Firdaus; Kassim, Hasan Abu; Yusof, Norhasliza

Inspired by recent works, we investigate how the thermodynamics parameters (entropy, temperature, number density, energy density, etc) of Bose-Einstein Condensate star scale with the structure of the star. Below the critical temperature in which the condensation starts to occur, we study how the entropy behaves with varying temperature till it reaches its own stability against gravitational collapse and singularity. Compared to photon gases (pressure is described by radiation) where the chemical potential, μ is zero, entropy of photon gases obeys the Stefan-Boltzmann Law for a small values of T while forming a spiral structure for a large values of Tmore » due to general relativity. The entropy density of Bose-Einstein Condensate is obtained following the similar sequence but limited under critical temperature condition. We adopt the scalar field equation of state in Thomas-Fermi limit to study the characteristics of relativistic Bose-Einstein condensate under varying temperature and entropy. Finally, we obtain the entropy density proportional to (σT{sup 3}-3T) which obeys the Stefan-Boltzmann Law in ultra-relativistic condition.« less

Core-softened potentials, multiple liquid-liquid critical points, and density anomaly regions: An exact solution

NASA Astrophysics Data System (ADS)

Rizzatti, Eduardo O.; Barbosa, Marco Aurélio A.; Barbosa, Marcia C.

2018-02-01

The pressure versus temperature phase diagram of a system of particles interacting through a multiscale shoulder-like potential is exactly computed in one dimension. The N-shoulder potential exhibits N density anomaly regions in the phase diagram if the length scales can be connected by a convex curve. The result is analyzed in terms of the convexity of the Gibbs free energy.

Optimize out-of-core thermionic energy conversion for nuclear electric propulsion

NASA Technical Reports Server (NTRS)

Morris, J. F.

1977-01-01

Current designs for out of core thermionic energy conversion (TEC) to power nuclear electric propulsion (NEP) were evaluated. Approaches to improve out of core TEC are emphasized and probabilities for success are indicated. TEC gains are available with higher emitter temperatures and greater power densities. Good potentialities for accommodating external high temperature, high power density TEC with heat pipe cooled reactors exist.

High-temperature annealing of graphite: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Petersen, Andrew; Gillette, Victor

2018-05-01

A modified AIREBO potential was developed to simulate the effects of thermal annealing on the structure and physical properties of damaged graphite. AIREBO parameter modifications were made to reproduce Density Functional Theory interstitial results. These changes to the potential resulted in high-temperature annealing of the model, as measured by stored-energy reduction. These results show some resemblance to experimental high-temperature annealing results, and show promise that annealing effects in graphite are accessible with molecular dynamics and reactive potentials.

Influences of temperature on asymmetric quantum dot qubit in Coulombic impunity potential

NASA Astrophysics Data System (ADS)

Chen, Y.-J.; Song, H.-T.; Xiao, J.-L.

2018-05-01

Using the variational method of the Pekar-type, we study the influences of the temperature on the asymmetric quantum dot (QD) qubit in the Coulombic impunity potential. Then we derive the numerical results and formulate the derivative relationships of the electron probability density and the electron oscillation period in the superposition state of the ground state and the first-excited state with the electron-phonon coupling constant, the Coulombic impurity potential, the transverse and longitudinal confinement strengths at different temperatures, respectively.

Diagnosing pure-electron plasmas with internal particle flux probes.

PubMed

Kremer, J P; Pedersen, T Sunn; Marksteiner, Q; Lefrancois, R G; Hahn, M

2007-01-01

Techniques for measuring local plasma potential, density, and temperature of pure-electron plasmas using emissive and Langmuir probes are described. The plasma potential is measured as the least negative potential at which a hot tungsten filament emits electrons. Temperature is measured, as is commonly done in quasineutral plasmas, through the interpretation of a Langmuir probe current-voltage characteristic. Due to the lack of ion-saturation current, the density must also be measured through the interpretation of this characteristic thereby greatly complicating the measurement. Measurements are further complicated by low densities, low cross field transport rates, and large flows typical of pure-electron plasmas. This article describes the use of these techniques on pure-electron plasmas in the Columbia Non-neutral Torus (CNT) stellarator. Measured values for present baseline experimental parameters in CNT are phi(p)=-200+/-2 V, T(e)=4+/-1 eV, and n(e) on the order of 10(12) m(-3) in the interior.

Peierls potential of screw dislocations in bcc transition metals: Predictions from density functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weinberger, Christopher R.; Tucker, Garritt J.; Foiles, Stephen M.

2013-02-01

It is well known that screw dislocation motion dominates the plastic deformation in body-centered-cubic metals at low temperatures. The nature of the nonplanar structure of screw dislocations gives rise to high lattice friction, which results in strong temperature and strain rate dependence of plastic flow. Thus the nature of the Peierls potential, which is responsible for the high lattice resistance, is an important physical property of the material. However, current empirical potentials give a complicated picture of the Peierls potential. Here, we investigate the nature of the Peierls potential using density functional theory in the bcc transition metals. The resultsmore » show that the shape of the Peierls potential is sinusoidal for every material investigated. Furthermore, we show that the magnitude of the potential scales strongly with the energy per unit length of the screw dislocation in the material.« less

Density measurements of the lithium fluoride/lithium sulfide eutectic at high temperature

NASA Astrophysics Data System (ADS)

Lloyd, Charles L.; Gilbert, James B.

1994-10-01

A straightforward and reliable method to determine densities of molten salts at high temperatures was de-veloped by Janz and Lorenz several years ago.[1] This method was followed in order to determine the density of the LiF/Li2S eutectic[2] over the temperature range of 1176 to 1355 K in which the eutectic is liquid. The rel-ative lack of data for this eutectic is surprising given its potential usefulness in the study of advanced batteries'31 and electrowinning of metals from molten sulfides.[41] The method is based on the fact that a solid piece of metal of known volume suspended from a pan balance into a molten salt will weigh less than if it were sus-pended in air at the same temperature. This difference in weight measured in grams will be equal to the buoyant force of the liquid at that temperature. The density of the salt bath can then readily be determined by dividing this difference by the volume of the solid piece of metal that is immersed in the bath. The procedure can be re-peated to give density values over a range of temperatures.

Effects of temperature and food supply on the growth of whitefish Coregonus lavaretus larvae in an oligotrophic peri-alpine lake.

PubMed

Perrier, C; Molinero, J C; Gerdeaux, D; Anneville, O

2012-10-01

The relative roles of temperature and food availability on the seasonal and daily growth of whitefish Coregonus lavaretus larvae were investigated in the oligotrophic peri-alpine Lake Annecy, France. During the spring from 2004 to 2007, surface water temperature and density of potential zooplankton prey were monitored, and 2688 larvae were caught and measured. In addition, the daily growth of 130 larvae was estimated retrospectively by investigating the microstructure of their otoliths. Temperature played the predominant role in controlling both seasonal and daily growth of early larvae. In contrast, the abundance of Mesocyclops leuckarti and larval density was only slightly correlated to larval growth, suggesting no food limitation nor strong interindividual competition over the study period. Overall, these findings run counter to concerns about potential food limitation, but sound a warning about the potential impact of climate change on fish ecology and fisheries management. © 2012 The Authors. Journal of Fish Biology © 2012 The Fisheries Society of the British Isles.

Analysis of nanopore arrangement of porous alumina layers formed by anodizing in oxalic acid at relatively high temperatures

NASA Astrophysics Data System (ADS)

Zaraska, Leszek; Stępniowski, Wojciech J.; Jaskuła, Marian; Sulka, Grzegorz D.

2014-06-01

Anodic aluminum oxide (AAO) layers were formed by a simple two-step anodization in 0.3 M oxalic acid at relatively high temperatures (20-30 °C) and various anodizing potentials (30-65 V). The effect of anodizing conditions on structural features of as-obtained oxides was carefully investigated. A linear and exponential relationships between cell diameter, pore density and anodizing potential were confirmed, respectively. On the other hand, no effect of temperature and duration of anodization on pore spacing and pore density was found. Detailed quantitative and qualitative analyses of hexagonal arrangement of nanopore arrays were performed for all studied samples. The nanopore arrangement was evaluated using various methods based on the fast Fourier transform (FFT) images, Delaunay triangulations (defect maps), pair distribution functions (PDF), and angular distribution functions (ADF). It was found that for short anodizations performed at relatively high temperatures, the optimal anodizing potential that results in formation of nanostructures with the highest degree of pore order is 45 V. No direct effect of temperature and time of anodization on the nanopore arrangement was observed.

Molecular Dynamics Modeling of Thermal Properties of Aluminum Near Melting Line

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karavaev, A. V.; Dremov, V. V.; Sapozhnikov, F. A.

2006-08-03

In this work we present results of calculations of thermal properties of solid and liquid phases of aluminum at different densities and temperatures using classical molecular dynamics with EAM potential function. Dependencies of heat capacity CV on temperature and density have been analyzed. It was shown that when temperature increases, heat capacity CV behavior deviates from that by Dulong-Petit law. It may be explained by influence of anharmonicity of crystal lattice vibrations. Comparison of heat capacity CV of liquid phase with Grover's model has been performed. Dependency of aluminum melting temperature on pressure has been acquired.

Adsorption behaviors of supercritical Lennard-Jones fluid in slit-like pores.

PubMed

Li, Yingfeng; Cui, Mengqi; Peng, Bo; Qin, Mingde

2018-05-18

Understanding the adsorption behaviors of supercritical fluid in confined space is pivotal for coupling the supercritical technology and the membrane separation technology. Based on grand canonical Monte Carlo simulations, the adsorption behaviors of a Lennard-Jones (LJ) fluid in slit-like pores at reduced temperatures over the critical temperature, T c *  = 1.312, are investigated; and impacts of the wall-fluid interactions, the pore width, and the temperature are taken into account. It is found that even if under supercritical conditions, the LJ fluid can undergo a "vapor-liquid phase transition" in confined space, i.e., the adsorption density undergoes a sudden increase with the bulk density. A greater wall-fluid attractive potential, a smaller pore width, and a lower temperature will bring about a stronger confinement effect. Besides, the adsorption pressure reaches a local minimum when the bulk density equals to a certain value, independent of the wall-fluid potential or pore width. The insights in this work have both practical and theoretical significances. Copyright © 2018 Elsevier Inc. All rights reserved.

Glass Formation of n-Butanol: Coarse-grained Molecular Dynamics Simulations Using Gay-Berne Potential Model

NASA Astrophysics Data System (ADS)

Xie, Gui-long; Zhang, Yong-hong; Huang, Shi-ping

2012-04-01

Using coarse-grained molecular dynamics simulations based on Gay-Berne potential model, we have simulated the cooling process of liquid n-butanol. A new set of GB parameters are obtained by fitting the results of density functional theory calculations. The simulations are carried out in the range of 290-50 K with temperature decrements of 10 K. The cooling characteristics are determined on the basis of the variations of the density, the potential energy and orientational order parameter with temperature, whose slopes all show discontinuity. Both the radial distribution function curves and the second-rank orientational correlation function curves exhibit splitting in the second peak. Using the discontinuous change of these thermodynamic and structure properties, we obtain the glass transition at an estimate of temperature Tg=120±10 K, which is in good agreement with experimental results 110±1 K.

Electrostatic and magnetic measurements of turbulence and transport in Extrap T2

NASA Astrophysics Data System (ADS)

Möller, Anders; Sallander, Eva

1999-10-01

Langmuir probe and magnetic pick-up coil measurements are used to study edge turbulence in the Extrap T2 reversed field pinch. Magnetic fluctuations resonant outside the toroidal field reversal surface are observed where previously only fluctuations in the spectra of potential and electron density and temperature have been measured. Results are presented which imply that these fluctuations are coupled to and also correlated to the internally resonant tearing mode fluctuations. Evidence of coupling between low-frequency (<100 kHz) and high-frequency fluctuations is also presented. The normalized floating potential fluctuations are seen to increase with the edge electron temperature. This causes an increase of the potential and density fluctuation driven transport with the temperature which is faster than linear. These results, in combination, are consistent with a picture where internally resonant fluctuations couple to edge fluctuations through radial heat conduction from the stochastic core to the edge.

Plasma parameters in a multidipole plasma system

NASA Astrophysics Data System (ADS)

Ruscanu, D.; Anita, V.; Popa, G.

Plasma potential and electron number densities and electron temperatures under bi-Maxwellian approximation for electron distribution function of the multidipole argon plasma source system were measured for a gas pressure ranging between 10-4 and 10-3 mbar and an anode-cathode voltage ranging between 40 and 120 V but a constant discharge current intensity. The first group, as ultimate or cold electrons and main electron plasma population, results by trapping of the slow electrons produced by ionisation process due to primary-neutral collisions. The trapping process is produced by potential well due to positive plasma potential with respect to the anode so that electron temperature of the ultimate electrons does not depend on both the gas pressure and discharge voltage. The second group, as secondary or hot electrons, results as degrading process of the primaries and their number density increases while their temperature decreases with the increase of both the gas pressure and discharge voltage.

Prediction of surface tension of HFD-like fluids using the Fowler’s approximation

NASA Astrophysics Data System (ADS)

Goharshadi, Elaheh K.; Abbaspour, Mohsen

2006-09-01

The Fowler's expression for calculation of the reduced surface tension has been used for simple fluids using the Hartree-Fock Dispersion (HFD)-like potential (HFD-like fluids) obtained from the inversion of the viscosity collision integrals at zero pressure. In order to obtain the RDFs values needed for calculation of the surface tension, we have performed the MD simulation at different temperatures and densities and then fitted with an expression and compared the resulting RDFs with the experiment. Our results are in excellent accordance with experimental values when the vapor density has been considered, especially at high temperatures. We have also calculated the surface tension using a RDF's expression based on the Lennard-Jones (LJ) potential which was in good agreement with the molecular dynamics simulations. In this work, we have shown that our results based on HFD-like potential can describe the temperature dependence of the surface tension superior than that of LJ potential.

The force distribution probability function for simple fluids by density functional theory.

PubMed

Rickayzen, G; Heyes, D M

2013-02-28

Classical density functional theory (DFT) is used to derive a formula for the probability density distribution function, P(F), and probability distribution function, W(F), for simple fluids, where F is the net force on a particle. The final formula for P(F) ∝ exp(-AF(2)), where A depends on the fluid density, the temperature, and the Fourier transform of the pair potential. The form of the DFT theory used is only applicable to bounded potential fluids. When combined with the hypernetted chain closure of the Ornstein-Zernike equation, the DFT theory for W(F) agrees with molecular dynamics computer simulations for the Gaussian and bounded soft sphere at high density. The Gaussian form for P(F) is still accurate at lower densities (but not too low density) for the two potentials, but with a smaller value for the constant, A, than that predicted by the DFT theory.

Chiral density wave versus pion condensation at finite density and zero temperature

NASA Astrophysics Data System (ADS)

Andersen, Jens O.; Kneschke, Patrick

2018-04-01

The quark-meson model is often used as a low-energy effective model for QCD to study the chiral transition at finite temperature T , baryon chemical potential μB , and isospin chemical potential μI . We determine the parameters of the model by matching the meson and quark masses, as well as the pion decay constant to their physical values using the on shell (OS) and modified minimal subtraction (MS ¯ ) schemes. In this paper, the existence of different phases at zero temperature is studied. In particular, we investigate the competition between an inhomogeneous chiral condensate and a homogeneous pion condensate. For the inhomogeneity, we use a chiral-density wave ansatz. For a sigma mass of 600 MeV, we find that an inhomogeneous chiral condensate exists only for pion masses below approximately 37 MeV. We also show that due to our parameter fixing, the onset of pion condensation takes place exactly at μIc=1/2 mπ in accordance with exact results.

A drain current model for amorphous InGaZnO thin film transistors considering temperature effects

NASA Astrophysics Data System (ADS)

Cai, M. X.; Yao, R. H.

2018-03-01

Temperature dependent electrical characteristics of amorphous InGaZnO (a-IGZO) thin film transistors (TFTs) are investigated considering the percolation and multiple trapping and release (MTR) conduction mechanisms. Carrier-density and temperature dependent carrier mobility in a-IGZO is derived with the Boltzmann transport equation, which is affected by potential barriers above the conduction band edge with Gaussian-like distributions. The free and trapped charge densities in the channel are calculated with Fermi-Dirac statistics, and the field effective mobility of a-IGZO TFTs is then deduced based on the MTR theory. Temperature dependent drain current model for a-IGZO TFTs is finally derived with the obtained low field mobility and free charge density, which is applicable to both non-degenerate and degenerate conductions. This physical-based model is verified by available experiment results at various temperatures.

Potential techniques for non-destructive evaluation of cable materials

NASA Astrophysics Data System (ADS)

Gillen, Kenneth T.; Clough, Roger L.; Mattson, Bengt; Stenberg, Bengt; Oestman, Erik

This paper describes the connection between mechanical degradation of common cable materials, in radiation and elevated temperature environments, and density increases caused by the oxidation which leads to this degradation. Two techniques based on density changes are suggested as potential non-destructive evaluation (NDE) procedures which may be applicable to monitoring the mechanical condition of cable materials in power plant environments. The first technique is direct measurement of density changes, via a density gradient column, using small shavings removed from the surface of cable jackets at selected locations. The second technique is computed X-ray tomography, utilizing a portable scanning device.

Note on zero temperature holographic superfluids

NASA Astrophysics Data System (ADS)

Guo, Minyong; Lan, Shanquan; Niu, Chao; Tian, Yu; Zhang, Hongbao

2016-06-01

In this note, we have addressed various issues on zero temperature holographic superfluids. First, inspired by our numerical evidence for the equality between the superfluid density and particle density, we provide an elegant analytic proof for this equality by a boost trick. Second, using not only the frequency domain analysis but also the time domain analysis from numerical relativity, we identify the hydrodynamic normal modes and calculate out the sound speed, which is shown to increase with the chemical potential and saturate to the value predicted by the conformal field theory in the large chemical potential limit. Third, the generic non-thermalization is demonstrated by the fully nonlinear time evolution from a non-equilibrium state for our zero temperature holographic superfluid. Furthermore, a conserved Noether charge is proposed in support of this behavior.

The Spartan 1 Mission

DTIC Science & Technology

1989-07-11

this dark matter to be mea- sured. The special feature of the Spartan 1 instrument has been its ability to measure the density and temperature of the...required to create the potential well, because it exceeds by a large margin the mass we can account for as galaxies and gas. Some invisible (" dark ...34) matter of unknown origin pervades the cluster. Measurements of the radial density and temperature gradients in the hot gas allow the distribution of

Energy-free machine learning force field for aluminum.

PubMed

Kruglov, Ivan; Sergeev, Oleg; Yanilkin, Alexey; Oganov, Artem R

2017-08-17

We used the machine learning technique of Li et al. (PRL 114, 2015) for molecular dynamics simulations. Atomic configurations were described by feature matrix based on internal vectors, and linear regression was used as a learning technique. We implemented this approach in the LAMMPS code. The method was applied to crystalline and liquid aluminum and uranium at different temperatures and densities, and showed the highest accuracy among different published potentials. Phonon density of states, entropy and melting temperature of aluminum were calculated using this machine learning potential. The results are in excellent agreement with experimental data and results of full ab initio calculations.

Doubling the critical current density in superconducting FeSe 0.5Te 0.5 thin films by low temperature oxygen annealing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Cheng; Si, Weidong; Li, Qiang

Iron chalcogenide superconducting thin films and coated conductors are attractive for potential high field applications at liquid helium temperature for their high critical current densities J c, low anisotropies, and relatively strong grain couplings. Embedding flux pinning defects is a general approach to increase the in-field performance of superconductors. However, many effective pinning defects can adversely affect the zero field or self-field J c, particularly in cuprate high temperature superconductors. Here, we report the doubling of the self-field J c in FeSe 0.5Te 0.5 films by low temperature oxygen annealing, reaching ~3 MA/cm 2. In-field performance is also dramatically enhanced.more » In conclusion, our results demonstrate that low temperature oxygen annealing is a simple and cost-efficient post-treatment technique which can greatly help to accelerate the potential high field applications of the iron-based superconductors.« less

Doubling the critical current density in superconducting FeSe 0.5Te 0.5 thin films by low temperature oxygen annealing

DOE PAGES

Zhang, Cheng; Si, Weidong; Li, Qiang

2016-11-14

Iron chalcogenide superconducting thin films and coated conductors are attractive for potential high field applications at liquid helium temperature for their high critical current densities J c, low anisotropies, and relatively strong grain couplings. Embedding flux pinning defects is a general approach to increase the in-field performance of superconductors. However, many effective pinning defects can adversely affect the zero field or self-field J c, particularly in cuprate high temperature superconductors. Here, we report the doubling of the self-field J c in FeSe 0.5Te 0.5 films by low temperature oxygen annealing, reaching ~3 MA/cm 2. In-field performance is also dramatically enhanced.more » In conclusion, our results demonstrate that low temperature oxygen annealing is a simple and cost-efficient post-treatment technique which can greatly help to accelerate the potential high field applications of the iron-based superconductors.« less

Accurately predicting the structure, density, and hydrostatic compression of crystalline β-1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane based on its wave-function-based potential

NASA Astrophysics Data System (ADS)

Song, H.-J.; Huang, F.

2011-09-01

A wave-function-based intermolecular potential of the β phase 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX) molecule has been constructed from first principles using the Williams-Stone-Misquitta method and the symmetry-adapted perturbation theory. Using the potential and its derivatives, we have accurately predicted not only the structure and lattice energy of the crystalline β-HMX at 0 K, but also its densities at temperatures of 0-403 K within an accuracy of 1% of density. The calculated densities at pressures within 0-6 GPa excellently agree with the results from the experiments on hydrostatic compression.

Flexible Asymmetric Supercapacitor Based on Functionalized Reduced Graphene Oxide Aerogels with Wide Working Potential Window.

PubMed

Bora, Anindita; Mohan, Kiranjyoti; Doley, Simanta; Dolui, Swapan Kumar

2018-03-07

Flexible energy storage devices are in great demand since the advent of flexible electronics. Until now, flexible supercapacitors based on graphene analogues usually have had low operating potential windows. To this end, two dissimilar electrode materials with complementary potential ranges are employed to obtain an optimum cell voltage of 1.8 V. A low-temperature organic sol-gel method is used to prepare two different types of functionalized reduced graphene oxide aerogels (rGOA) where Ag nanorod functionalized rGOA acts as a negative electrode while polyaniline nanotube functionalized rGOA acts as a positive electrode. Both materials comprehensively exploit their unique properties to produce a device that has high energy and power densities. An assembled all-solid-state asymmetric supercapacitor gives a high energy density of 52.85 W h kg -1 and power density of 31.5 kW kg -1 with excellent cycling and temperature stability. The device also performs extraordinarily well under different bending conditions, suggesting its potential to meet the requirements for flexible electronics.

Ion and electron sheath characteristics in a low density and low temperature plasma

NASA Astrophysics Data System (ADS)

Borgohain, Binita; Bailung, H.

2017-11-01

Ion and electron sheath characteristics in a low electron temperature (Te ˜ 0.25-0.40 eV) and density (ne ˜ 106-107 cm-3) plasma are described. The plasma is produced in the experimental volume through diffusion from a hot cathode discharge plasma source by using a magnetic filter. The electron energy distribution function in the experimental plasma volume is measured to be a narrow Maxwellian distribution indicating the absence of primary and energetic electrons which are decoupled in the source side by the cusp magnetic field near the filter. An emissive probe is used to measure the sheath potential profiles in front of a metal plate biased negative and positive with respect to the plasma potential. For a positive plate bias, the electron density decreases considerably and the electron sheath expands with a longer presheath region compared to the ion sheath. The sheath potential structures are found to follow the Debye sheath model.

Superfluid transition of homogeneous and trapped two-dimensional Bose gases.

PubMed

Holzmann, Markus; Baym, Gordon; Blaizot, Jean-Paul; Laloë, Franck

2007-01-30

Current experiments on atomic gases in highly anisotropic traps present the opportunity to study in detail the low temperature phases of two-dimensional inhomogeneous systems. Although, in an ideal gas, the trapping potential favors Bose-Einstein condensation at finite temperature, interactions tend to destabilize the condensate, leading to a superfluid Kosterlitz-Thouless-Berezinskii phase with a finite superfluid mass density but no long-range order, as in homogeneous fluids. The transition in homogeneous systems is conveniently described in terms of dissociation of topological defects (vortex-antivortex pairs). However, trapped two-dimensional gases are more directly approached by generalizing the microscopic theory of the homogeneous gas. In this paper, we first derive, via a diagrammatic expansion, the scaling structure near the phase transition in a homogeneous system, and then study the effects of a trapping potential in the local density approximation. We find that a weakly interacting trapped gas undergoes a Kosterlitz-Thouless-Berezinskii transition from the normal state at a temperature slightly below the Bose-Einstein transition temperature of the ideal gas. The characteristic finite superfluid mass density of a homogeneous system just below the transition becomes strongly suppressed in a trapped gas.

Improved analysis techniques for cylindrical and spherical double probes.

PubMed

Beal, Brian; Johnson, Lee; Brown, Daniel; Blakely, Joseph; Bromaghim, Daron

2012-07-01

A versatile double Langmuir probe technique has been developed by incorporating analytical fits to Laframboise's numerical results for ion current collection by biased electrodes of various sizes relative to the local electron Debye length. Application of these fits to the double probe circuit has produced a set of coupled equations that express the potential of each electrode relative to the plasma potential as well as the resulting probe current as a function of applied probe voltage. These equations can be readily solved via standard numerical techniques in order to determine electron temperature and plasma density from probe current and voltage measurements. Because this method self-consistently accounts for the effects of sheath expansion, it can be readily applied to plasmas with a wide range of densities and low ion temperature (T(i)/T(e) ≪ 1) without requiring probe dimensions to be asymptotically large or small with respect to the electron Debye length. The presented approach has been successfully applied to experimental measurements obtained in the plume of a low-power Hall thruster, which produced a quasineutral, flowing xenon plasma during operation at 200 W on xenon. The measured plasma densities and electron temperatures were in the range of 1 × 10(12)-1 × 10(17) m(-3) and 0.5-5.0 eV, respectively. The estimated measurement uncertainty is +6%∕-34% in density and +∕-30% in electron temperature.

Molecular Rayleigh Scattering Diagnostic for Measurement of High Frequency Temperature Fluctuations

NASA Technical Reports Server (NTRS)

Mielke, Amy F.; Elam, Kristie A.

2005-01-01

A novel technique for measurement of high frequency temperature fluctuations in unseeded gas flows using molecular Rayleigh scattering is investigated. The spectrum of laser light scattered from molecules in a gas flow is resolved using a Fabry-Perot interferometer. The width of the spectral peak is broadened by thermal motion of the molecules and hence is related to gas temperature. The interference fringe pattern containing spectral information is divided into four concentric regions using a series of mirrors angled with respect to one another. Light from each of these regions is directed towards photomultiplier tubes and sampled at 10 kHz using photon counting electronics. Monitoring the relative change in intensity within each region allows measurement of gas temperature. Independently monitoring the total scattered intensity provides a measure of gas density. This technique also has the potential to simultaneously measure a single component of flow velocity by monitoring the spectral peak location. Measurements of gas temperature and density are demonstrated using a low speed heated air jet surrounded by an unheated air co-flow. Mean values of temperature and density are shown for radial scans across the jet flow at a fixed axial distance from the jet exit plane. Power spectra of temperature and density fluctuations at several locations in the jet are also shown. The instantaneous measurements have fairly high uncertainty; however, long data records provide highly accurate statistically quantities, which include power spectra. Mean temperatures are compared with thermocouple measurements as well as the temperatures derived from independent density measurements. The accuracy for mean temperature measurements was +/- 7 K.

Evidence for intertwined superfluid and density wave order in two dimensional 4He

NASA Astrophysics Data System (ADS)

Saunders, John

2015-03-01

We report the identification of a new state of quantum matter with intertwined superfluid and density wave order in a system of two dimensional bosons subject to a triangular lattice potential. Using a torsional oscillator we have measured the response of the second atomic layer of 4He adsorbed on the surface of graphite over a wide temperature range down to 2 mK. Superfluidity is observed over a narrow range of film densities, emerging suddenly and collapsing towards a quantum critical point, near to layer completion where a Mott insulating phase is predicted to form. The unusual temperature dependence of the superfluid density in the T --> 0 limit and the absence of a clear superfluid onset temperature are explained, self-consistently, by an ansatz for the excitation spectrum, reflecting density wave order, and a quasi-condensate wavefunction breaking both gauge and translational symmetry. In collaboration with Jan Nyeki, Anastasia Phillis, Andrew Ho, Derek Lee, Piers Coleman, Jeevak Parpia, Brian Cowan. Supported by EPSRC (U.K) EP/H048375/1.

Study of Aggregation of Janus Ellipsoids

NASA Astrophysics Data System (ADS)

Ruth, Donovan; Li, Wei; Khadka, Shreeya; Rickman, Jeffrey; Gunton, James

2013-03-01

We perform numerical simulations of a quasi-square well potential model of one-patch colloidal particles to investigate the collective structure of a system of Janus ellipsoids. We show that for Janus ellipsoids such that one half is an attractive patch, while the entire ellipsoid has a hardcore repulsion, the system organizes into a distribution of orientationally ordered micelles and vesicles. We analyze the cluster distribution at several temperatures and low densities and show that below certain temperatures the system is populated by stable clusters and depending on temperature and density the system is populated by either vesicles or micelle structures.

Late summer temperature reconstruction based on tree-ring density for Sygera Mountain, southeastern Tibetan Plateau

NASA Astrophysics Data System (ADS)

Li, Mingyong; Duan, Jianping; Wang, Lily; Zhu, Haifeng

2018-04-01

Although several tree-ring density-based summer/late summer temperature reconstructions have been developed on the Tibetan Plateau (TP), the understanding of the local/regional characteristics of summer temperature fluctuations on a long-term scale in some regions is still limited. To improve our understanding in these aspects, more local or regional summer temperature reconstructions extending back over several centuries are required. In this study, a new mean latewood density (LWD) chronology from Abies georgei var. smithii from the upper tree line of Sygera Mountain on the southeastern TP was developed to reconstruct the late summer temperature variability since 1820 CE. The bootstrapped correlation analysis showed that the LWD chronology index was significantly and positively correlated with the late summer (August-September) mean temperatures (r1950-2008 = 0.63, p < 0.001) recorded at the nearest meteorological station and that this reconstruction has considerable potential to represent the late summer temperature variability at the regional scale. Our late summer temperature reconstruction revealed three obvious cold periods (i.e., 1872-1908, 1913-1937 and 1941-1966) and two relatively warm phases (i.e., 1821-1871 and 1970-2008) over the past two centuries. Comparisons of our reconstruction with other independent tree-ring-based temperature reconstructions, glacier fluctuations and historical documental records from neighboring regions showed good agreement in these relatively cold and warm intervals. Our reconstruction exhibits an overall increasing temperature trend since the 1960s, providing new evidence supporting the recent warming of the TP. Moreover, our results also indicate that the late summer temperature variability of Sygera Mountain on the southeastern TP has potential links with the Pacific Decadal Oscillation (PDO).

Finite-density transition line for QCD with 695 MeV dynamical fermions

NASA Astrophysics Data System (ADS)

Greensite, Jeff; Höllwieser, Roman

2018-06-01

We apply the relative weights method to SU(3) gauge theory with staggered fermions of mass 695 MeV at a set of temperatures in the range 151 ≤T ≤267 MeV , to obtain an effective Polyakov line action at each temperature. We then apply a mean field method to search for phase transitions in the effective theory at finite densities. The result is a transition line in the plane of temperature and chemical potential, with an end point at high temperature, as expected, but also a second end point at a lower temperature. We cannot rule out the possibilities that a transition line reappears at temperatures lower than the range investigated, or that the second end point is absent for light quarks.

Average-atom model for two-temperature states and ionic transport properties of aluminum in the warm dense matter regime

NASA Astrophysics Data System (ADS)

Hou, Yong; Fu, Yongsheng; Bredow, Richard; Kang, Dongdong; Redmer, Ronald; Yuan, Jianmin

2017-03-01

The average-atom model combined with the hyper-netted chain approximation is an efficient tool for electronic and ionic structure calculations for warm dense matter. Here we generalize this method in order to describe non-equilibrium states with different electron and ion temperature as produced in laser-matter interactions on ultra-short time scales. In particular, the electron-ion and ion-ion correlation effects are considered when calculating the electron structure. We derive an effective ion-ion pair-potential using the electron densities in the framework of temperature-depended density functional theory. Using this ion-ion potential we perform molecular dynamics simulations in order to determine the ionic transport properties such as the ionic diffusion coefficient and the shear viscosity through the ionic velocity autocorrelation functions.

Topological Phase Transitions in Zinc-Blende Semimetals Driven Exclusively by Electronic Temperature

NASA Astrophysics Data System (ADS)

Trushin, Egor; Görling, Andreas

2018-04-01

We show that electronic phase transitions in zinc-blende semimetals with quadratic band touching (QBT) at the center of the Brillouin zone, like GaBi, InBi, or HgTe, can occur exclusively due to a change of the electronic temperature without the need to involve structural transformations or electron-phonon coupling. The commonly used Kohn-Sham density-functional methods based on local and semilocal density functionals employing the local density approximation (LDA) or generalized gradient approximations (GGAs), however, are not capable of describing such phenomena because they lack an intrinsic temperature dependence and account for temperature only via the occupation of bands, which essentially leads only to a shift of the Fermi level without changing the shape or topology of bands. Kohn-Sham methods using the exact temperature-dependent exchange potential, not to be confused with the Hartree-Fock exchange potential, on the other hand, describe such phase transitions. A simple modeling of correlation effects can be achieved by screening of the exchange. In the considered zinc-blende compounds the QBT is unstable at low temperatures and a transition to electronic states without QBT takes place. In the case of HgTe and GaBi Weyl points of type I and type II, respectively, emerge during the transitions. This demonstrates that Kohn-Sham methods can describe such topological phase transitions provided they are based on functionals more accurate than those within the LDA or GGA. Moreover, the electronic temperature is identified as a handle to tune topological materials.

DOE Office of Scientific and Technical Information (OSTI.GOV)

MAEZAWA,Y.; AOKI, S.; EJIRI, S.

The authors report the current status of the systematic studies of the QCD thermodynamics by lattice QCD simulations with two flavors of improved Wilson quarks. They evaluate the critical temperature of two flavor QCD in the chiral limit at zero chemical potential and show the preliminary result. Also they discuss fluctuations at none-zero temperature and density by calculating the quark number and isospin susceptibilities and their derivatives with respect to chemical potential.

Removal of common organic solvents from aqueous waste streams via supercritical C02 extraction: a potential green approach to sustainable waste management in the pharmaceutical industry.

PubMed

Leazer, Johnnie L; Gant, Sean; Houck, Anthony; Leonard, William; Welch, Christopher J

2009-03-15

Supercritical CO2 extraction of aqueous streams is a convenient and effective method to remove commonly used solvents of varying polarities from aqueous waste streams. The resulting aqueous layers can potentially be sewered; whereas the organic layer can be recovered for potential reuse. Supercritical fluid extraction (SFE) is a technology that is increasingly being used in commercial processes (1). Supercritical fluids are well suited for extraction of a variety of media, including solids, natural products, and liquid products. Many supercritical fluids have low critical temperatures, allowing for extractions to be done at modestly low temperatures, thus avoiding any potential thermal decomposition of the solutes under study (2). Furthermore, the CO2 solvent strength is easily tuned by adjusting the density of the supercritical fluid (The density is proportional to the pressure of the extraction process). Since many supercritical fluids are gases at ambient temperature, the extract can be concentrated by simply venting the reaction mixture to a cyclone collection vessel, using appropriate safety protocols.

Data Analysis of the Floating Potential Measurement Unit aboard the International Space Station

NASA Technical Reports Server (NTRS)

Barjatya, Aroh; Swenson, Charles M.; Thompson, Donald C.; Wright, Kenneth H., Jr.

2009-01-01

We present data from the Floating Potential Measurement Unit (FPMU), that is deployed on the starboard (S1) truss of the International Space Station. The FPMU is a suite of instruments capable of redundant measurements of various plasma parameters. The instrument suite consists of: a Floating Potential Probe, a Wide-sweeping spherical Langmuir probe, a Narrow-sweeping cylindrical Langmuir Probe, and a Plasma Impedance Probe. This paper gives a brief overview of the instrumentation and the received data quality, and then presents the algorithm used to reduce I-V curves to plasma parameters. Several hours of data is presented from August 5th, 2006 and March 3rd, 2007. The FPMU derived plasma density and temperatures are compared with the International Reference Ionosphere (IRI) and USU-Global Assimilation of Ionospheric Measurement (USU-GAIM) models. Our results show that the derived in-situ density matches the USU-GAIM model better than the IRI, and the derived in-situ temperatures are comparable to the average temperatures given by the IRI.

Finite temperature static charge screening in quantum plasmas

NASA Astrophysics Data System (ADS)

Eliasson, B.; Akbari-Moghanjoughi, M.

2016-07-01

The shielding potential around a test charge is calculated, using the linearized quantum hydrodynamic formulation with the statistical pressure and Bohm potential derived from finite temperature kinetic theory, and the temperature effects on the force between ions is assessed. The derived screening potential covers the full range of electron degeneracy in the equation of state of the plasma electrons. An attractive force between shielded ions in an arbitrary degenerate plasma exists below a critical temperature and density. The effect of the temperature on the screening potential profile qualitatively describes the ion-ion bound interaction strength and length variations. This may be used to investigate physical properties of plasmas and in molecular-dynamics simulations of fermion plasma. It is further shown that the Bohm potential including the kinetic corrections has a profound effect on the Thomson scattering cross section in quantum plasmas with arbitrary degeneracy.

Effects of medium on nuclear properties in multifragmentation

NASA Astrophysics Data System (ADS)

De, J. N.; Samaddar, S. K.; Viñas, X.; Centelles, M.; Mishustin, I. N.; Greiner, W.

2012-08-01

In multifragmentation of hot nuclear matter, properties of fragments embedded in a soup of nucleonic gas and other fragments should be modified as compared with isolated nuclei. Such modifications are studied within a simple model where only nucleons and one kind of heavy nuclei are considered. The interaction between different species is described with a momentum-dependent two-body potential whose parameters are fitted to reproduce properties of cold isolated nuclei. The internal energy of heavy fragments is parametrized according to a liquid-drop model with density- and temperature-dependent parameters. Calculations are carried out for several subnuclear densities and moderate temperatures, for isospin-symmetric and asymmetric systems. We find that the fragments get stretched due to interactions with the medium and their binding energies decrease with increasing temperature and density of nuclear matter.

Instrumental effects on the temperature and density derived from the light ion mass spectrometer

NASA Technical Reports Server (NTRS)

Craven, P. D.; Reasoner, D. L.

1983-01-01

An expression for the flux into a retarding potential analyzer (RPA) is derived which takes into account the instrumental effect of a dependence on energy of the solid angle of the acceptance cone. A second instrumental effect of a limited bandpass is briefly discussed. Using the (LIMS) instrument on SCATHA, it is shown that temperatures and densities derived without considering the effect of the solid angle dependence on energy will be too low, dramatically so for E(t) E(1), where E(1) is the e folding distance of the solid angle dependence and E(t) is the thermal energy of the plasma. For E(t) E(1), there is effectively no impact on the derived temperatures and densities if the solid angle effect is ignored.

Electron density measurements in STPX plasmas

NASA Astrophysics Data System (ADS)

Clark, Jerry; Williams, R.; Titus, J. B.; Mezonlin, E. D.; Akpovo, C.; Thomas, E.

2017-10-01

Diagnostics have been installed to measure the electron density of Spheromak Turbulent Physics Experiment (STPX) plasmas at Florida A. & M. University. An insertable probe, provided by Auburn University, consisting of a combination of a triple-tipped Langmuir probe and a radial array consisting of three ion saturation current / floating potential rings has been installed to measure instantaneous plasma density, temperature and plasma potential. As the ramp-up of the experimental program commences, initial electron density measurements from the triple-probe show that the electron density is on the order of 1019 particles/m3. For a passive measurement, a CO2 interferometer system has been designed and installed for measuring line-averaged densities and to corroborate the Langmuir measurements. We describe the design, calibration, and performance of these diagnostic systems on large volume STPX plasmas.

Flush-mounted probe diagnostics for argon glow discharge plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Liang, E-mail: xld02345@mail.ustc.edu.cn; Cao, Jinxiang; Liu, Yu

2014-09-15

A comparison is made between plasma parameters measured by a flush-mounted probe (FP) and a cylindrical probe (CP) in argon glow discharge plasma. Parameters compared include the space potential, the plasma density, and the effective electron temperature. It is found that the ion density determined by the FP agrees well with the electron density determined by the CP in the quasi-neutral plasma to better than 10%. Moreover, the space potential and effective electron temperature calculated from electron energy distribution function measured by the FP is consistent with that measured by the CP over the operated discharge current and pressure ranges.more » These results present the FP can be used as a reliable diagnostic tool in the stable laboratory plasma and also be anticipated to be applied in other complicated plasmas, such as tokamaks, the region of boundary-layer, and so on.« less

Poloidal asymmetries in edge transport barriersa)

NASA Astrophysics Data System (ADS)

Churchill, R. M.; Theiler, C.; Lipschultz, B.; Hutchinson, I. H.; Reinke, M. L.; Whyte, D.; Hughes, J. W.; Catto, P.; Landreman, M.; Ernst, D.; Chang, C. S.; Hager, R.; Hubbard, A.; Ennever, P.; Walk, J. R.

2015-05-01

Measurements of impurities in Alcator C-Mod indicate that in the pedestal region, significant poloidal asymmetries can exist in the impurity density, ion temperature, and main ion density. In light of the observation that ion temperature and electrostatic potential are not constant on a flux surface [Theiler et al., Nucl. Fusion 54, 083017 (2014)], a technique based on total pressure conservation to align profiles measured at separate poloidal locations is presented and applied. Gyrokinetic neoclassical simulations with XGCa support the observed large poloidal variations in ion temperature and density, and that the total pressure is approximately constant on a flux surface. With the updated alignment technique, the observed in-out asymmetry in impurity density is reduced from previous publishing [Churchill et al., Nucl. Fusion 53, 122002 (2013)], but remains substantial ( n z , H / n z , L ˜ 6 ). Candidate asymmetry drivers are explored, showing that neither non-uniform impurity sources nor localized fluctuation-driven transport are able to explain satisfactorily the impurity density asymmetry. Since impurity density asymmetries are only present in plasmas with strong electron density gradients, and radial transport timescales become comparable to parallel transport timescales in the pedestal region, it is suggested that global transport effects relating to the strong electron density gradients in the pedestal are the main driver for the pedestal in-out impurity density asymmetry.

Reconstructing Past Ocean Salinity ((delta)18Owater)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guilderson, T P; Pak, D K

2005-11-23

Temperature and salinity are two of the key properties of ocean water masses. The distribution of these two independent but related characteristics reflects the interplay of incoming solar radiation (insolation) and the uneven distribution of heat loss and gain by the ocean, with that of precipitation, evaporation, and the freezing and melting of ice. Temperature and salinity to a large extent, determine the density of a parcel of water. Small differences in temperature and salinity can increase or decrease the density of a water parcel, which can lead to convection. Once removed from the surface of the ocean where 'local'more » changes in temperature and salinity can occur, the water parcel retains its distinct relationship between (potential) temperature and salinity. We can take advantage of this 'conservative' behavior where changes only occur as a result of mixing processes, to track the movement of water in the deep ocean (Figure 1). The distribution of density in the ocean is directly related to horizontal pressure gradients and thus (geostrophic) ocean currents. During the Quaternary when we have had systematic growth and decay of large land based ice sheets, salinity has had to change. A quick scaling argument following that of Broecker and Peng [1982] is: the modern ocean has a mean salinity of 34.7 psu and is on average 3500m deep. During glacial maxima sea level was on the order of {approx}120m lower than present. Simply scaling the loss of freshwater (3-4%) requires an average increase in salinity a similar percentage or to {approx}35.9psu. Because much of the deep ocean is of similar temperature, small changes in salinity have a large impact on density, yielding a potentially different distribution of water masses and control of the density driven (thermohaline) ocean circulation. It is partly for this reason that reconstructions of past salinity are of interest to paleoceanographers.« less

Thermal effects in supernova matter

NASA Astrophysics Data System (ADS)

Constantinou, Constantinos

A crucial ingredient in simulations of core collapse supernova (SN) explosions is the equation of state (EOS) of nucleonic matter for densities extending from 10-7 fm-3 to 1 ffm-3, temperatures up to 50 MeV, and proton-to-baryon fraction in the range 0 to 1/2. SN explosions release 99% of the progenitor star's gravitational potential energy in the form of neutrinos and, additionally, they are responsible for populating the universe with elements heavier than 56Fe. Therefore, the importance of understanding this phenomenon cannot be overstated as it could shed light onto the underlying nuclear and neutrino physics. A realistic EOS of SN matter must incorporate the nucleon-nucleon interaction in a many-body environment. We treat this problem with a non-relativistic potential model as well as relativistic mean-field theoretical one. In the former approach, we employ the Skyrme-like Hamiltonian density constructed by Akmal, Pandharipande, and Ravenhall which takes into account the long scattering lengths of nucleons that determine the low density characteristics. In the latter, we use a Walecka-like Lagrangian density supplemented by non-linear interactions involving scalar, vector, and isovector meson exchanges, calibrated so that known properties of nuclear matter are reproduced. We focus on the bulk homogeneous phase and calculate its thermodynamic properties as functions of baryon density, temperature, and proton-to-baryon ratio. The exact numerical results are then compared to those in the degenerate and non-degenerate limits for which analytical formulae have been derived. We find that the two models bahave similarly for densities up to nuclear saturation but exhibit differences at higher densities most notably in the isospin susceptibilities, the chemical potentials, and the pressure. The importance of the correct momentum dependence in the single particle potential that fits optical potentials of nucleon-nucleus scattering was highlighted in the context of intermediate energy heavy-ion collisions. To explore the effect momentum-dependent interactions have on the thermal properties of dense matter we study a schematic model constructed by Welke et al. in which the appropriate momentum dependence that fits optical potential data is built through finite-range exchange forces of the Yukawa type. We look into the finite-temperature properties of this model in the context of infinite, isospin-symmetric nucleonic matter. The exact numerical results are compared to analytical ones in the quantum regime where we rely on Landau's Fermi-Liquid Theory, and in the classical regime where the state variables are obtained through a steepest descent calculation. Detailed comparisons with similarly calibrated Skyrme models are also performed. We find that the high-density behavior of the thermal pressure is once again a differentiating feature. We attribute this to the temperature dependence of the energy spectrum of the finite-range and the meson-exchange models which leads to a higher specific heat and thus a lower pressure.

Langmuir Probe Measurements in an Inductively Coupled Ar/CF4 Plasmas

NASA Technical Reports Server (NTRS)

Rao, M. V. V. S.; Meyyappan, M.; Sharma, S. P.; Arnold, James O. (Technical Monitor)

2000-01-01

Technological advancement in the microelectronics industry requires an understanding of the physical and chemical processes occurring in plasmas of fluorocarbon gases, such as carbon tetrafluoride (CF4) which is commonly used as an etchant, and their mixtures to optimize various operating parameters. In this paper we report data on electron number density (ne), electron temperature'(Te), electron energy distribution function (EEDF), mean electron energy, ion number density (ni), and plasma potential (Vp) measured by using Langmuir probe in an inductively coupled 13.56 MHz radio frequency plasmas generated in 50%Ar:50%CF4 mixture in the GEC cell. The probe data were recorded at various radial positions providing radial profiles of these plasma parameters at 10-50 mTorr pressures and 200 W and 300 W of RF power. Present measurements indicate that the electron and ion number densities increase with increase in pressure and power. Whereas the plasma potential and electron temperature decrease with increase in pressure, and they weakly depend on RF power. The radial profiles exhibit that the electron and ion number densities and the plasma potential peak at the center of the plasma with an exponential fall away from it, while the electron temperature has a minimum at the center and it increases steadily towards the electrode edge. The EEDFs have a characteristic drop near the low energy end at all pressures and pressures and their shapes represent non-Maxwellian plasma and exhibit more like Druyvesteyn energy distribution.v

Numerical experiment to estimate the validity of negative ion diagnostic using photo-detachment combined with Langmuir probing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oudini, N.; Sirse, N.; Ellingboe, A. R.

2015-07-15

This paper presents a critical assessment of the theory of photo-detachment diagnostic method used to probe the negative ion density and electronegativity α = n{sub -}/n{sub e}. In this method, a laser pulse is used to photo-detach all negative ions located within the electropositive channel (laser spot region). The negative ion density is estimated based on the assumption that the increase of the current collected by an electrostatic probe biased positively to the plasma is a result of only the creation of photo-detached electrons. In parallel, the background electron density and temperature are considered as constants during this diagnostics. While the numericalmore » experiments performed here show that the background electron density and temperature increase due to the formation of an electrostatic potential barrier around the electropositive channel. The time scale of potential barrier rise is about 2 ns, which is comparable to the time required to completely photo-detach the negative ions in the electropositive channel (∼3 ns). We find that neglecting the effect of the potential barrier on the background plasma leads to an erroneous determination of the negative ion density. Moreover, the background electron velocity distribution function within the electropositive channel is not Maxwellian. This is due to the acceleration of these electrons through the electrostatic potential barrier. In this work, the validity of the photo-detachment diagnostic assumptions is questioned and our results illustrate the weakness of these assumptions.« less

Full-Potential Calculation of Structural, Electronic, and Thermodynamic Properties of Fluoroperovskite { CsMF}3 (M = Be and Mg)

NASA Astrophysics Data System (ADS)

Harmel, M.; Khachai, H.; Ameri, A.; Baki, N.; Haddou, A.; Khalfa, M.; Abbar, B.; Omran, S. Bin; Uğur, G.; Uğur, Ş.; Khenata, R.

2012-12-01

The structural and electronic properties of the cubic fluoroperoveskite { CsBeF}3 and { CsMgF}3 have been investigated using the full-potential-linearized augmented plane wave method within the density functional theory. The exchange-correlation potential was treated with the local density approximation and the generalized gradient approximation. The calculations of the electronic band structures show that { CsBeF}_{3 } has an indirect bandgap, whereas { CsMgF}3 has a direct bandgap. Through the quasi-harmonic Debye model, in which the phononic effects are considered, the effect of pressure P and temperature T on the lattice parameter, bulk modulus, thermal expansion coefficient, Debye temperature, and the heat capacity for { CsBeF}3 and { CsMgF}3 compounds are investigated for the first time.

Albedo and land surface temperature shift in hydrocarbon seepage potential area, case study in Miri Sarawak Malaysia

NASA Astrophysics Data System (ADS)

Suherman, A.; Rahman, M. Z. A.; Busu, I.

2014-02-01

The presence of hydrocarbon seepage is generally associated with rock or mineral alteration product exposures, and changes of soil properties which manifest with bare development and stress vegetation. This alters the surface thermodynamic properties, changes the energy balance related to the surface reflection, absorption and emission, and leads to shift in albedo and LST. Those phenomena may provide a guide for seepage detection which can be recognized inexpensively by remote sensing method. District of Miri is used for study area. Available topographic maps of Miri and LANDSAT ETM+ were used for boundary construction and determination albedo and LST. Three land use classification methods, namely fixed, supervised and NDVI base classifications were employed for this study. By the intensive land use classification and corresponding statistical comparison was found a clearly shift on albedo and land surface temperature between internal and external seepage potential area. The shift shows a regular pattern related to vegetation density or NDVI value. In the low vegetation density or low NDVI value, albedo of internal area turned to lower value than external area. Conversely in the high vegetation density or high NDVI value, albedo of internal area turned to higher value than external area. Land surface temperature of internal seepage potential was generally shifted to higher value than external area in all of land use classes. In dense vegetation area tend to shift the temperature more than poor vegetation area.

Electron temperature and density probe for small aeronomy satellites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oyama, K.-I.; Institute of Space and Plasma Sciences, National Cheng Kung University, Tainan, Taiwan; International Center for Space Weather Study and education, Kyushu University, Fukuoka

2015-08-15

A compact and low power consumption instrument for measuring the electron density and temperature in the ionosphere has been developed by modifying the previously developed Electron Temperature Probe (ETP). A circuit block which controls frequency of the sinusoidal signal is added to the ETP so that the instrument can measure both T{sub e} in low frequency mode and N{sub e} in high frequency mode from the floating potential shift of the electrode. The floating potential shift shows a minimum at the upper hybrid resonance frequency (f{sub UHR}). The instrument which is named “TeNeP” can be used for tiny satellites whichmore » do not have enough conductive surface area for conventional DC Langmuir probe measurements. The instrument also eliminates the serious problems associated with the contamination of satellite surface as well as the sensor electrode.« less

Superfluid density and condensate fraction in the BCS-BEC crossover regime at finite temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fukushima, N.; Ohashi, Y.; Faculty of Science and Technology, Keio University, Hiyoshi, Yokohama 223

2007-03-15

The superfluid density is a fundamental quantity describing the response to a rotation as well as in two-fluid collisional hydrodynamics. We present extensive calculations of the superfluid density {rho}{sub s} in the BCS-BEC crossover regime of a uniform superfluid Fermi gas at finite temperatures. We include strong-coupling or fluctuation effects on these quantities within a Gaussian approximation. We also incorporate the same fluctuation effects into the BCS single-particle excitations described by the superfluid order parameter {delta} and Fermi chemical potential {mu}, using the Nozieres-Schmitt-Rink approximation. This treatment is shown to be necessary for consistent treatment of {rho}{sub s} over themore » entire BCS-BEC crossover. We also calculate the condensate fraction N{sub c} as a function of the temperature, a quantity which is quite different from the superfluid density {rho}{sub s}. We show that the mean-field expression for the condensate fraction N{sub c} is a good approximation even in the strong-coupling BEC regime. Our numerical results show how {rho}{sub s} and N{sub c} depend on temperature, from the weak-coupling BCS region to the BEC region of tightly bound Cooper pair molecules. In a companion paper [Phys. Rev. A 74, 063626 (2006)], we derive an equivalent expression for {rho}{sub s} from the thermodynamic potential, which exhibits the role of the pairing fluctuations in a more explicit manner.« less

Primordial features and Planck polarization

NASA Astrophysics Data System (ADS)

Hazra, Dhiraj Kumar; Shafieloo, Arman; Smoot, George F.; Starobinsky, Alexei A.

2016-09-01

With the Planck 2015 Cosmic Microwave Background (CMB) temperature and polarization data, we search for possible features in the primordial power spectrum (PPS). We revisit the Wiggly Whipped Inflation (WWI) framework and demonstrate how generation of some particular primordial features can improve the fit to Planck data. WWI potential allows the scalar field to transit from a steeper potential to a nearly flat potential through a discontinuity either in potential or in its derivatives. WWI offers the inflaton potential parametrizations that generate a wide variety of features in the primordial power spectra incorporating most of the localized and non-local inflationary features that are obtained upon reconstruction from temperature and polarization angular power spectrum. At the same time, in a single framework it allows us to have a background parameter estimation with a nearly free-form primordial spectrum. Using Planck 2015 data, we constrain the primordial features in the context of Wiggly Whipped Inflation and present the features that are supported both by temperature and polarization. WWI model provides more than 13 improvement in χ2 fit to the data with respect to the best fit power law model considering combined temperature and polarization data from Planck and B-mode polarization data from BICEP and Planck dust map. We use 2-4 extra parameters in the WWI model compared to the featureless strict slow roll inflaton potential. We find that the differences between the temperature and polarization data in constraining background cosmological parameters such as baryon density, cold dark matter density are reduced to a good extent if we use primordial power spectra from WWI. We also discuss the extent of bispectra obtained from the best potentials in arbitrary triangular configurations using the BI-spectra and Non-Gaussianity Operator (BINGO).

Primordial features and Planck polarization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hazra, Dhiraj Kumar; Smoot, George F.; Shafieloo, Arman

2016-09-01

With the Planck 2015 Cosmic Microwave Background (CMB) temperature and polarization data, we search for possible features in the primordial power spectrum (PPS). We revisit the Wiggly Whipped Inflation (WWI) framework and demonstrate how generation of some particular primordial features can improve the fit to Planck data. WWI potential allows the scalar field to transit from a steeper potential to a nearly flat potential through a discontinuity either in potential or in its derivatives. WWI offers the inflaton potential parametrizations that generate a wide variety of features in the primordial power spectra incorporating most of the localized and non-local inflationarymore » features that are obtained upon reconstruction from temperature and polarization angular power spectrum. At the same time, in a single framework it allows us to have a background parameter estimation with a nearly free-form primordial spectrum. Using Planck 2015 data, we constrain the primordial features in the context of Wiggly Whipped Inflation and present the features that are supported both by temperature and polarization. WWI model provides more than 13 improvement in χ{sup 2} fit to the data with respect to the best fit power law model considering combined temperature and polarization data from Planck and B-mode polarization data from BICEP and Planck dust map. We use 2-4 extra parameters in the WWI model compared to the featureless strict slow roll inflaton potential. We find that the differences between the temperature and polarization data in constraining background cosmological parameters such as baryon density, cold dark matter density are reduced to a good extent if we use primordial power spectra from WWI. We also discuss the extent of bispectra obtained from the best potentials in arbitrary triangular configurations using the BI-spectra and Non-Gaussianity Operator (BINGO).« less

Constructiveness and destructiveness of temperature in asymmetric quantum pseudo dot qubit system

NASA Astrophysics Data System (ADS)

Chen, Ying-Jie; Song, Hai-Tao; Xiao, Jing-Lin

2018-06-01

By using the variational method of the Pekar type, we theoretically study the temperature effects on the asymmetric quantum pseudo dot qubit with a pseudoharmonic potential under an electromagnetic field. The numerical results are analyzed and discussed in detail and show that the relationships of the ground and first excited state energies, the electron oscillation period and the electron probability density in the superposition state of the ground state and the first-excited state with the temperature, the chemical potential, the pseudoharmonic potential, the electric field strength, the cyclotron frequency, the electron phonon coupling constant, the transverse and longitudinal effective confinement length, respectively.

Molecular Model for HNBR with Tunable Cross-Link Density.

PubMed

Molinari, N; Khawaja, M; Sutton, A P; Mostofi, A A

2016-12-15

We introduce a chemically inspired, all-atom model of hydrogenated nitrile butadiene rubber (HNBR) and assess its performance by computing the mass density and glass-transition temperature as a function of cross-link density in the structure. Our HNBR structures are created by a procedure that mimics the real process used to produce HNBR, that is, saturation of the carbon-carbon double bonds in NBR, either by hydrogenation or by cross-linking. The atomic interactions are described by the all-atom "Optimized Potentials for Liquid Simulations" (OPLS-AA). In this paper, first, we assess the use of OPLS-AA in our models, especially using NBR bulk properties, and second, we evaluate the validity of the proposed model for HNBR by investigating mass density and glass transition as a function of the tunable cross-link density. Experimental densities are reproduced within 3% for both elastomers, and qualitatively correct trends in the glass-transition temperature as a function of monomer composition and cross-link density are obtained.

Burst temperature from conditional analysis in Texas Helimak and TCABR tokamak

NASA Astrophysics Data System (ADS)

Pereira, F. A. C.; Hernandez, W. A.; Toufen, D. L.; Guimarães-Filho, Z. O.; Caldas, I. L.; Gentle, K. W.

2018-04-01

The procedure to estimate the average local temperature, density, and plasma potential by conditionally selecting points of the Langmuir probe characteristic curve is revised and applied to the study of intermittent bursts in the Texas Helimak and TCABR tokamak. The improvements made allow us to distinguish the burst temperature from the turbulent background and to study burst propagation. Thus, in Texas Helimak, we identify important differences with respect to the burst temperature measured in the top and the bottom regions of the machine. While in the bottom region the burst temperatures are almost equal to the background, the bursts in the top region are hotter than the background with the temperature peak clearly shifted with respect to the density one. On the other hand, in the TCABR tokamak, we found that there is a temperature peak simultaneously with the density one. Moreover, the radial profile of bursts in the top region of Helimak and in the edge and scrape-off layer regions of TCABR shows that in both machines, there are spatial regions where the relative difference between the burst and the background temperatures is significant: up to 25% in Texas Helimak and around 50% in TCABR. However, in Texas Helimak, there are also regions where these temperatures are almost the same.

Derivation of the threshold condition for the ion temperature gradient mode with an inverted density profile from a simple physics picture

NASA Astrophysics Data System (ADS)

Jhang, Hogun

2018-05-01

We show that the threshold condition for the toroidal ion temperature gradient (ITG) mode with an inverted density profile can be derived from a simple physics argument. The key in this picture is that the density inversion reduces the ion compression due to the ITG mode and the electron drift motion mitigates the poloidal potential build-up. This condition reproduces the same result that has been reported from a linear gyrokinetic calculation [T. S. Hahm and W. M. Tang, Phys. Fluids B 1, 1185 (1989)]. The destabilizing role of trapped electrons in toroidal geometry is easily captured in this picture.

Food resource effects on diel movements and body size of cisco in north-temperate lakes.

PubMed

Ahrenstorff, Tyler D; Hrabik, Thomas R; Jacobson, Peter C; Pereira, Donald L

2013-12-01

The movement patterns and body size of fishes are influenced by a host of physical and biological conditions, including temperature and oxygen, prey densities and foraging potential, growth optimization, and predation risk. Our objectives were to (1) investigate variability in vertical movement patterns of cisco (Coregonus artedi) in a variety of inland lakes using hydroacoustics, (2) explore the causal mechanisms influencing movements through the use of temperature/oxygen, foraging, growth, and predation risk models, and (3) examine factors that may contribute to variations in cisco body size by considering all available information. Our results show that cisco vertical movements vary substantially, with different populations performing normal diel vertical migrations (DVM), no DVM, and reverse DVM in lakes throughout Minnesota and northern Wisconsin, USA. Cisco populations with the smallest body size were found in lakes with lower zooplankton densities. These smaller fish showed movements to areas of highest foraging or growth potential during the day and night, despite moving out of preferred temperature and oxygen conditions and into areas of highest predation risk. In lakes with higher zooplankton densities, cisco grew larger and had movements more consistent with behavioral thermoregulation and predator avoidance, while remaining in areas with less than maximum foraging and growth potential. Furthermore, the composition of potential prey items present in each lake was also important. Cisco that performed reverse DVM consumed mostly copepods and cladocerans, while cisco that exhibited normal DVM or no migration consumed proportionally more macro-zooplankton species. Overall, our results show previously undocumented variation in migration patterns of a fish species, the mechanisms underlying those movements, and the potential impact on their growth potential.

Corresponding states law for a generalized Lennard-Jones potential.

PubMed

Orea, P; Romero-Martínez, A; Basurto, E; Vargas, C A; Odriozola, G

2015-07-14

It was recently shown that vapor-liquid coexistence densities derived from Mie and Yukawa models collapse to define a single master curve when represented against the difference between the reduced second virial coefficient at the corresponding temperature and that at the critical point. In this work, we further test this proposal for another generalization of the Lennard-Jones pair potential. This is carried out for vapor-liquid coexistence densities, surface tension, and vapor pressure, along a temperature window set below the critical point. For this purpose, we perform molecular dynamics simulations by varying the potential softness parameter to produce from very short to intermediate attractive ranges. We observed all properties to collapse and yield master curves. Moreover, the vapor-liquid curve is found to share the exact shape of the Mie and attractive Yukawa. Furthermore, the surface tension and the logarithm of the vapor pressure are linear functions of this difference of reduced second virial coefficients.

Negative hydrogen ions in a linear helicon plasma device

NASA Astrophysics Data System (ADS)

Corr, Cormac; Santoso, Jesse; Samuell, Cameron; Willett, Hannah; Manoharan, Rounak; O'Byrne, Sean

2015-09-01

Low-pressure negative ion sources are of crucial importance to the development of high-energy (>1 MeV) neutral beam injection systems for the ITER experimental tokamak device. Due to their high power coupling efficiency and high plasma densities, helicon devices may be able to reduce power requirements and potentially remove the need for caesium. In helicon sources, the RF power can be coupled efficiently into the plasma and it has been previously observed that the application of a small magnetic field can lead to a significant increase in the plasma density. In this work, we investigate negative ion dynamics in a high-power (20 kW) helicon plasma source. The negative ion fraction is measured by probe-based laser photodetachment, electron density and temperature are determined by a Langmuir probe and tuneable diode laser absorption spectroscopy is used to determine the density of the H(n = 2) excited atomic state and the gas temperature. The negative ion density and excited atomic hydrogen density display a maximum at a low applied magnetic field of 3 mT, while the electron temperature displays a minimum. The negative ion density can be increased by a factor of 8 with the application of the magnetic field. Spatial and temporal measurements will also be presented. The Australian Research Grants Council is acknowledged for funding.

Electron energy distribution function in the divertor region of the COMPASS tokamak during neutral beam injection heating

NASA Astrophysics Data System (ADS)

Hasan, E.; Dimitrova, M.; Havlicek, J.; Mitošinková, K.; Stöckel, J.; Varju, J.; Popov, Tsv K.; Komm, M.; Dejarnac, R.; Hacek, P.; Panek, R.; the COMPASS Team

2018-02-01

This paper presents the results from swept probe measurements in the divertor region of the COMPASS tokamak in D-shaped, L-mode discharges, with toroidal magnetic field BT = 1.15 T, plasma current Ip = 180 kA and line-average electron densities varying from 2 to 8×1019 m-3. Using neutral beam injection heating, the electron energy distribution function is studied before and during the application of the beam. The current-voltage characteristics data are processed using the first-derivative probe technique. This technique allows one to evaluate the plasma potential and the real electron energy distribution function (respectively, the electron temperatures and densities). At the low average electron density of 2×1019 m-3, the electron energy distribution function is bi-Maxwellian with a low-energy electron population with temperatures 4-6 eV and a high-energy electron group 12-25 eV. As the line-average electron density is increased, the electron temperatures decrease. At line-average electron densities above 7×1019 m-3, the electron energy distribution function is found to be Maxwellian with a temperature of 6-8.5 eV. The effect of the neutral beam injection heating power in the divertor region is also studied.

Density effects on electronic configurations in dense plasmas

NASA Astrophysics Data System (ADS)

Faussurier, Gérald; Blancard, Christophe

2018-02-01

We present a quantum mechanical model to describe the density effects on electronic configurations inside a plasma environment. Two different approaches are given by starting from a quantum average-atom model. Illustrations are shown for an aluminum plasma in local thermodynamic equilibrium at solid density and at a temperature of 100 eV and in the thermodynamic conditions of a recent experiment designed to characterize the effects of the ionization potential depression treatment. Our approach compares well with experiment and is consistent in that case with the approach of Stewart and Pyatt to describe the ionization potential depression rather than with the method of Ecker and Kröll.

Interaction potential for indium phosphide: a molecular dynamics and first-principles study of the elastic constants, generalized stacking fault and surface energies.

PubMed

Branicio, Paulo Sergio; Rino, José Pedro; Gan, Chee Kwan; Tsuzuki, Hélio

2009-03-04

Indium phosphide is investigated using molecular dynamics (MD) simulations and density-functional theory calculations. MD simulations use a proposed effective interaction potential for InP fitted to a selected experimental dataset of properties. The potential consists of two- and three-body terms that represent atomic-size effects, charge-charge, charge-dipole and dipole-dipole interactions as well as covalent bond bending and stretching. Predictions are made for the elastic constants as a function of density and temperature, the generalized stacking fault energy and the low-index surface energies.

Effect of Heating on Turbulent Density Fluctuations and Noise Generation From High Speed Jets

NASA Technical Reports Server (NTRS)

Panda, Jayanta; Seasholtz, Richard G.; Elam, Kristie A.; Mielke, Amy F.; Eck, Dennis G.

2004-01-01

Heated jets in a wide range of temperature ratios (TR), and acoustic Mach numbers (Ma) were investigated experimentally using far field microphones and a molecular Rayleigh scattering technique. The latter provided density fluctuations measurements. Two sets of operating conditions were considered: (1) TR was varied between 0.84 and 2.7 while Ma was fixed at 0.9; (2) Ma was varied between 0.6 and 1.48, while TR was fixed at 2.27. The implementation of the molecular Rayleigh scattering technique required dust removal and usage of a hydrogen combustor to avoid soot particles. Time averaged density measurements in the first set of data showed differences in the peripheral density shear layers between the unheated and heated jets. The nozzle exit shear layer showed increased turbulence level with increased plume temperature. Nevertheless, further downstream the density fluctuations spectra are found to be nearly identical for all Mach number and temperature ratio conditions. To determine noise sources a correlation study between plume density fluctuations and far field sound pressure fluctuations was conducted. For all jets the core region beyond the end of the potential flow was found to be the strongest noise source. Except for an isothermal jet, the correlations did not differ significantly with increasing temperature ratio. The isothermal jet created little density fluctuations. Although the far field noise from this jet did not show any exceptional trend, the flow-sound correlations were very low. This indicated that the density fluctuations only acted as a "tracer parameter" for the noise sources.

Solving the Nose-Hoover thermostat for Nuclear Pasta

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perez Garcia, M. Angeles

2006-06-19

At densities just below nuclear saturation density, there may be possible non-uniform spatial configurations of neutron rich matter. In this work we present a calculation using molecular dynamics techniques for a nuclear system interacting via a semiclassical potential depending on both positions and momenta and kept at fixed temperature by using the Nose-Hoover Thermostat.

Molecular and Kinetic Models for High-rate Thermal Degradation of Polyethylene

DOE PAGES

Lane, J. Matthew; Moore, Nathan W.

2018-02-01

Thermal degradation of polyethylene is studied under the extremely high rate temperature ramps expected in laser-driven and X-ray ablation experiments—from 10 10 to 10 14 K/s in isochoric, condensed phases. The molecular evolution and macroscopic state variables are extracted as a function of density from reactive molecular dynamics simulations using the ReaxFF potential. The enthalpy, dissociation onset temperature, bond evolution, and observed cross-linking are shown to be rate dependent. These results are used to parametrize a kinetic rate model for the decomposition and coalescence of hydrocarbons as a function of temperature, temperature ramp rate, and density. In conclusion, the resultsmore » are contrasted to first-order random-scission macrokinetic models often assumed for pyrolysis of linear polyethylene under ambient conditions.« less

Molecular and Kinetic Models for High-rate Thermal Degradation of Polyethylene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lane, J. Matthew; Moore, Nathan W.

Thermal degradation of polyethylene is studied under the extremely high rate temperature ramps expected in laser-driven and X-ray ablation experiments—from 10 10 to 10 14 K/s in isochoric, condensed phases. The molecular evolution and macroscopic state variables are extracted as a function of density from reactive molecular dynamics simulations using the ReaxFF potential. The enthalpy, dissociation onset temperature, bond evolution, and observed cross-linking are shown to be rate dependent. These results are used to parametrize a kinetic rate model for the decomposition and coalescence of hydrocarbons as a function of temperature, temperature ramp rate, and density. In conclusion, the resultsmore » are contrasted to first-order random-scission macrokinetic models often assumed for pyrolysis of linear polyethylene under ambient conditions.« less

Molecular complexes in close and far away

PubMed Central

Klemperer, William; Vaida, Veronica

2006-01-01

In this review, gas-phase chemistry of interstellar media and some planetary atmospheres is extended to include molecular complexes. Although the composition, density, and temperature of the environments discussed are very different, molecular complexes have recently been considered as potential contributors to chemistry. The complexes reviewed include strongly bound aggregates of molecules with ions, intermediate-strength hydrogen bonded complexes (primarily hydrates), and weakly bonded van der Waals molecules. In low-density, low-temperature environments characteristic of giant molecular clouds, molecular synthesis, known to involve gas-phase ion-molecule reactions and chemistry at the surface of dust and ice grains is extended here to involve molecular ionic clusters. At the high density and high temperatures found on planetary atmospheres, molecular complexes contribute to both atmospheric chemistry and climate. Using the observational, laboratory, and theoretical database, the role of molecular complexes in close and far away is discussed. PMID:16740667

B2.5-Eirene modeling of radial transport in the MAGPIE linear plasma device

NASA Astrophysics Data System (ADS)

Owen, L. W.; Caneses, J. F.; Canik, J.; Lore, J. D.; Corr, C.; Blackwell, B.; Bonnin, X.; Rapp, J.

2017-05-01

Radial transport in helicon heated hydrogen plasmas in the MAGnetized Plasma Interaction Experiment (MAGPIE) is studied with the B2.5-Eirene (SOLPS5.0) code. Radial distributions of plasma density, temperature and ambipolar potential are computed for several magnetic field configurations and compared to double Langmuir probe measurements. Evidence for an unmagnetized ion population is seen in the requirement for a convective pinch term in the continuity equation in order to fit the centrally peaked density profile data. The measured slightly hollow electron temperature profiles are reproduced with combinations of on-axis and edge heating which can be interpreted as helicon and Trivelpiece-Gould wave absorption, respectively. Pressure gradient driven radial charged particle diffusion is chosen to describe the diffusive particle flux since the hollowness of the temperature profiles assists the establishment of on-axis density peaking.

First principle investigations of the physical properties of hydrogen-rich MgH2

NASA Astrophysics Data System (ADS)

Zarshenas, Mohammed; Ahmed, R.; Benali Kanoun, Mohammed; Haq, Bakhtiar ul; Radzi Mat Isa, Ahmad; Goumri-Said, Souraya

2013-12-01

Hydrogen being a cleaner energy carrier has increased the importance of hydrogen-containing light metal hydrides, in particular those with large gravimetric hydrogen density like magnesium hydride (MgH2). In this study, density functional and density functional perturbation theories are combined to investigate the structural, elastic, thermodynamic, electronic and optical properties of MgH2. Our structural parameters calculated with those proposed by Perdew, Burke and Ernzerof generalized gradient approximation (PBE-GGA) and Wu-Cohen GGA (WC-GGA) are in agreement with experimental measurements, however the underestimated band gap values calculated using PBE-GGA and WC-GGA were greatly improved with the GGA suggested by Engle and Vosko and the modified Becke-Johnson exchange correlation potential by Trans and Blaha. As for the thermodynamic properties the specific heat values at low temperatures were found to obey the T3 rule and at higher temperatures Dulong and Petit's law. Our analysis of the optical properties of MgH2 also points to its potential application in optoelectronics.

Is blue intensity ready to replace maximum latewood density as a strong temperature proxy? A tree-ring case study on Scots pine from northern Sweden

NASA Astrophysics Data System (ADS)

Björklund, J. A.; Gunnarson, B. E.; Seftigen, K.; Esper, J.; Linderholm, H. W.

2013-09-01

At high latitudes, where low temperatures mainly limit tree-growth, measurements of wood density (e.g. Maximum Latewood Density, MXD) using the X-Ray methodology provide a temperature proxy that is superior to that of TRW. Density measurements are however costly and time consuming and have lead to experimentation with optical flatbed scanners to produce Maximum Blue Intensity (BImax). BImax is an excellent proxy for density on annual scale but very limited in skill on centennial scale. Discolouration between samples is limiting BImax where specific brightnesses can have different densities. To overcome this, the new un-exploited parameter Δ blue intensity (ΔBI) was constructed by using the brightness in the earlywood (BIEW) as background, (BImax - BIEW = ΔBI). This parameter was tested on X-Ray material (MXD - earlywood density = ΔMXD) and showed great potential both as a quality control and as a booster of climate signals. Unfortunately since the relationship between grey scale and density is not linear, and between-sample brightness can differ tremendously for similar densities, ΔBI cannot fully match ΔMXD in skill as climate proxy on centennial scale. For ΔBI to stand alone, the range of brightness/density offset must be reduced. Further studies are needed to evaluate this possibility, and solutions might include heavier sample treatment (reflux with chemicals) or image-data treatment (digitally manipulating base-line levels of brightness).

Geographical Detector-Based Risk Factors Assessment of the Hand-Foot-Mouth Disease in China

NASA Astrophysics Data System (ADS)

Huang, J.

2017-12-01

Background: Hand, foot and mouth disease(HFMD) is a common infectious disease, causing thousands of deaths among children in China. This study focused on analyzing the impacts of different populations and different industry structures on HFMD incidence in China. Methods: We collected HFMD cases from 2307 counties during May 2008 in China. The potential risk factors included: monthly mean temperature, monthly mean relative humidity, monthly precipitation, different population density, different industry structures. Geographical detector technique was used to analyze the main and interactive effect of potential risk factors on HFMD incidence. Result: Using risk detector, we found the most serious HFMD incidence mainly located in the Yangtze River delta and the Pearl River delta. When the temperature was high, the incidence of HFMD was also high. This finding indicates that there is a correlation between monthly mean temperature and the incidence of HFMD. Similar analysis was undertaken to analyze the correlation between other variables and the incidence of HFMD using the risk detector. Using factor detector, we found the effect of risk factors on the incidence of HFMD, and this was ranked by PD value as follows: density of children aged 0-9 years (0.25) > tertiary industry (0.23) > GDP (0.20) >middle school student density (0.13) > relative humidity (0.12) >average temperature (0.11) >first industry (0.05). Using ecological detector, we found that child density, tertiary industry, and GDP had a strong effect on the incidence of HFMD. Using interactive detector, we found that the interactive PD value of tertiary industry and child population density was 0.42, which of GDP and tertiary industry was 0.34, that of child population density and GDP was 0.35, and that of average temperature and relative humidity was 0.28. All of these interactive PD values appeared to be higher than any PD value of sole risk factors. The combinations of the above-mentioned risk factors could effectively explain spatial variability of the incidence of HFMD in China.

Detection of an electron beam in a high density plasma via an electrostatic probe

NASA Astrophysics Data System (ADS)

Majeski, Stephen; Yoo, Jongsoo; Zweben, Stewart; Yamada, Masaaki

2018-07-01

An electron beam is detected by a 1D floating potential probe array in a relatively high density (1012–1013 cm‑3) and low temperature (∼5 eV) plasma of the Magnetic Reconnection Experiment. Clear perturbations in the floating potential profile by the electron beam are observed. Based on the floating potential profile and a current balance equation to the probe array tips, the effective width of the electron beam is determined, from which we determine the radial and toroidal beam current density profiles. After the profile of the electron beam is specified from the measured beam current, we demonstrate the consistency of the current balance equation and the location of the perturbation is also in agreement with field line mapping. No significant broadening of the electron beam is observed after the beam propagates for tens of centimeters through the high density plasma. These results prove that the field line mapping is, in principle, possible in high density plasmas.

Detection of an electron beam in a high density plasma via an electrostatic probe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Majeski, Stephen; Yoo, Jongsoo; Zweben, Stewart

Here, an electron beam is detected by a 1D floating potential probe array in a relatively high density (10 12–10 13 cm -3) and low temperature (~5 eV) plasma of the Magnetic Reconnection Experiment. Clear perturbations in the floating potential profile by the electron beam are observed. Based on the floating potential profile and a current balance equation to the probe array tips, the effective width of the electron beam is determined, from which we determine the radial and toroidal beam current density profiles. After the profile of the electron beam is specified from the measured beam current, we demonstratemore » the consistency of the current balance equation and the location of the perturbation is also in agreement with field line mapping. No significant broadening of the electron beam is observed after the beam propagates for tens of centimeters through the high density plasma. These results prove that the field line mapping is, in principle, possible in high density plasmas.« less

Detection of an electron beam in a high density plasma via an electrostatic probe

DOE PAGES

Majeski, Stephen; Yoo, Jongsoo; Zweben, Stewart; ...

2018-05-08

Here, an electron beam is detected by a 1D floating potential probe array in a relatively high density (10 12–10 13 cm -3) and low temperature (~5 eV) plasma of the Magnetic Reconnection Experiment. Clear perturbations in the floating potential profile by the electron beam are observed. Based on the floating potential profile and a current balance equation to the probe array tips, the effective width of the electron beam is determined, from which we determine the radial and toroidal beam current density profiles. After the profile of the electron beam is specified from the measured beam current, we demonstratemore » the consistency of the current balance equation and the location of the perturbation is also in agreement with field line mapping. No significant broadening of the electron beam is observed after the beam propagates for tens of centimeters through the high density plasma. These results prove that the field line mapping is, in principle, possible in high density plasmas.« less

Correlation between optical properties surface morphology of porous silicon electrodeposited by Fe3+ ion

NASA Astrophysics Data System (ADS)

Mabrouk, Asma; Lorrain, N.; Haji, M. L.; Oueslati, Meherzi

2015-01-01

In this paper, we analyze the photoluminescence spectra (PL) of porous silicon (PS) layer which is elaborated by electrochemical etching and passivated by Fe3+ ions (PSF) via current density, electro-deposition and temperature measurements. We observe unusual surface morphology of PSF surface and anomalous emission behavior. The PSF surface shows regular distribution of cracks, leaving isolated regions or ;platelets; of nearly uniform thickness. These cracks become more pronounced for high current densities. The temperature dependence of the PL peak energy (EPL) presents anomalous behaviors, i.e., the PL peak energy shows a successive red/blue/redshift (S-shaped behavior) with increasing temperature that we attribute to the existence of strong potential fluctuations induced by the electrochemical etching of PS layers. A competition process between localized and delocalized excitons is used to discuss these PL properties. In this case, the potential confinement plays a key role on the enhancement of PL intensity in PSF. To explain the temperature dependence of the PL intensity, we have proposed a recombination model based on the tunneling and dissociation of excitons.

Characteristics of Electronegative Plasma Sheath with q-Nonextensive Electron Distribution

NASA Astrophysics Data System (ADS)

Borgohain, D. R.; Saharia, K.

2018-01-01

The characteristics of sheath in a plasma system containing q-nonextensive electrons, cold fluid ions, and Boltzmann-distributed negative ions are investigated. A modified Bohm sheath criterion is derived by using the Sagdeev pseudopotential technique. It is found that the proposed Bohm velocity depends on the degree of nonextensivity ( q), negative ion temperature to nonextensive electron temperature ratio (σ), and negative ion density ( B). Using the modified Bohm sheath criterion, the sheath characteristics, such as the spatial distribution of the potential, positive ion velocity, and density profile, have been numerically investigated, which clearly shows the effect of negative ions, as well as the nonextensive distribution of electrons. It is found that, as the nonextensivity parameter and the electronegativity increases, the electrostatic sheath potential increases sharply and the sheath width decreases.

Density functional theory of freezing of a system of highly elongated ellipsoidal oligomer solutions

NASA Astrophysics Data System (ADS)

Dwivedi, Shikha; Mishra, Pankaj

2017-05-01

We have used the density functional theory of freezing to study the liquid crystalline phase behavior of a system of highly elongated ellipsoidal conjugated oligomers dispersed in three different solvents namely chloroform, toluene and their equimolar mixture. The molecules are assumed to interact via solvent-implicit coarse-grained Gay-Berne potential. Pair correlation functions needed as input in the density functional theory have been calculated using the Percus-Yevick (PY) integral equation theory. Considering the isotropic and nematic phases, we have calculated the isotropic-nematic phase transition parameters and presented the temperature-density and pressure-temperature phase diagrams. Different solvent conditions are found not only to affect the transition parameters but also determine the capability of oligomers to form nematic phase in various thermodynamic conditions. In principle, our results are verifiable through computer simulations.

Influence of increasing temperature and salinity on herbicide toxicity in estuarine phytoplankton.

PubMed

DeLorenzo, Marie E; Danese, Loren E; Baird, Thomas D

2013-07-01

Ecological risk assessments are, in part, based on results of toxicity tests conducted under standard exposure conditions. Global climate change will have a wide range of effects on estuarine habitats, including potentially increasing water temperature and salinity, which may alter the risk assessment of estuarine pollutants. We examined the effects of increasing temperature and salinity on the toxicity of common herbicides (irgarol, diuron, atrazine, and ametryn) to the phytoplankton species Dunaliella tertiolecta. Static 96-h algal bioassays were conducted for each herbicide under four exposure scenarios: standard temperature and salinity (25°C, 20 ppt), standard temperature and elevated salinity (25°C, 40 ppt), elevated temperature and standard salinity (35°C, 20 ppt), and elevated temperature and elevated salinity (35°C, 40 ppt). The endpoints assessed were algal cell density at 96 h, growth rate, chlorophyll a content, lipid content, and starch content. Increasing exposure temperature reduced growth rate and 96-h cell density but increased the cellular chlorophyll and lipid concentrations of the control algae. Exposure condition did not alter starch content of control algae. Herbicides were found to decrease growth rate, 96 h cell density, and cellular chlorophyll and lipid concentrations, while starch concentrations increased with herbicide exposure. Herbicide effects under standard test conditions were then compared with those observed under elevated temperature and salinity. Herbicide effects on growth rate, cell density, and starch content were more pronounced under elevated salinity and temperature conditions. To encompass the natural variability in estuarine temperature and salinity, and to account for future changes in climate, toxicity tests should be conducted under a wider range of environmental conditions. Copyright © 2011 Wiley Periodicals, Inc.

Ion acceleration and non-Maxwellian electron distributions in a low collisionality, high power helicon plasma source

NASA Astrophysics Data System (ADS)

Li, Yan; Sung, Yung-Ta; Scharer, John

2015-11-01

Ion acceleration through plasma double layer and non-Maxwellian two temperature electron distributions have been observed in Madison Helicon Experiment (MadHeX) operated in high RF power (>1000 W) and low Ar pressure (0.17 mtorr) inductive mode. By applying Optical Emission Spectroscopy (OES) cross-checked with an RF-compensated Langmuir probe (at 13.56 MHz and its second and third harmonics), the fast (>80 eV), untrapped electrons downstream of the double layer have a higher temperature of 13 eV than the trapped bulk electrons upstream with a temperature of 4 eV. The reduction of plasma potential and density observed in the double layer region require an upstream temperature ten times the measured 4 eV if occurring via Boltzmann ambipolar expansion. The hot tail electrons of the non-Maxwellian electron distribution affect the formation and the potential drop of the double layer region. The mechanism behind this has been explored via several non-invasive plasma diagnostics tools. The OES measured electron temperatures and densities are also cross-checked with Atomic Data and Analysis Structure (ADAS) and a millimeter wave interferometer respectively. The IEDF is measured by a four-grid RPA and also cross-checked with argon 668 nm Laser Induced Fluorescence (LIF). An emissive probe has been used to measure the plasma potential.

Hot electron inelastic scattering and transmission across graphene surfaces

NASA Astrophysics Data System (ADS)

Kong, Byoung Don; Champlain, James G.; Boos, J. Brad

2017-06-01

Inelastic scattering and transmission of externally injected hot carriers across graphene layers are considered as a function of graphene carrier density, temperature, and surrounding dielectric media. A finite temperature dynamic dielectric function for graphene for an arbitrary momentum q and frequency ω is found under the random phase approximation and a generalized scattering lifetime formalism is used to calculate the scattering and transmission rates. Unusual trends in scattering are found, including declining rates as graphene carrier density increases and interband transition excitations, which highlights the difference with out-of-plane as compared to in-plane transport. The results also show strong temperature dependence with a drastic increase in scattering at room temperature. The calculated scattering rate at T = 300 K shows a wide variation from 0.2 to 10 fs-1 depending on graphene carrier density, incident carrier momentum, and surrounding dielectrics. The analysis suggests that a transmission rate greater than 0.9 for a carrier with kinetic energy over 1 eV is achievable by carefully controlling the graphene carrier density in conjunction with the use of high-κ dielectric materials. Potential applications to electronic and electro-optical devices are also discussed.

Ultrafast equilibration of excited electrons in dynamical simulations.

PubMed

Lin, Zhibin; Allen, Roland E

2009-12-02

In our density-functional-based simulations of materials responding to femtosecond-scale laser pulses, we have observed a potentially useful phenomenon: the excited electrons automatically equilibrate to a Fermi-Dirac distribution within ∼100 fs, solely because of their coupling to the nuclear motion, even though the resulting electronic temperature is one to two orders of magnitude higher than the kinetic temperature defined by the nuclear motion. Microscopic simulations like these can then provide the separate electronic and kinetic temperatures, chemical potentials, pressures, and nonhydrostatic stresses as input for studies on larger lengths and timescales.

Positive ion temperature effect on the plasma-wall transition

NASA Astrophysics Data System (ADS)

Morales Crespo, R.

2018-06-01

This paper analyses the plasma-wall interaction of a plasma in contact with a conducting planar surface when the positive-ion temperature is not negligible compared with the electron one. The electric potential from the plasma to the wall is obtained by the appropriate formulation of the model as an initial-value problem as well as some features useful for experimental applications, such as the positive current-to-voltage characteristics, the saturation current density, the floating potential or an estimation of the sheath thickness. Finally, it is analysed how all these quantities depend on the ionization degree and the positive-ion temperature.

Efficient chemical potential evaluation with kinetic Monte Carlo method and non-uniform external potential: Lennard-Jones fluid, liquid, and solid

NASA Astrophysics Data System (ADS)

Ustinov, E. A.

2017-07-01

The aim of this paper is to present a method of a direct evaluation of the chemical potential of fluid, liquid, and solid with kinetic Monte Carlo simulation. The method is illustrated with the 12-6 Lennard-Jones (LJ) system over a wide range of density and temperature. A distinctive feature of the methodology used in the present study is imposing an external potential on the elongated simulation box to split the system into two equilibrium phases, one of which is substantially diluted. This technique provides a reliable direct evaluation of the chemical potential of the whole non-uniform system (including that of the uniformly distributed dense phase in the central zone of the box), which, for example, is impossible in simulation of the uniform crystalline phase. The parameters of the vapor-liquid, liquid-solid, and fluid-solid transitions have been reliably determined. The chemical potential and the pressure are defined as thermodynamically consistent functions of density and temperature separately for the liquid and the solid (FCC) phases. It has been shown that in two-phase systems separated by a flat interface, the crystal melting always occurs at equilibrium conditions. It is also proved that in the limit of zero temperature, the specific heat capacity of an LJ crystal at constant volume is exactly 3Rg (where Rg is the gas constant) without resorting to harmonic oscillators.

Eulerian velocity reconstruction in ideal atmospheric dynamics using potential vorticity and potential temperature

NASA Astrophysics Data System (ADS)

Blender, R.

2009-04-01

An approach for the reconstruction of atmospheric flow is presented which uses space- and time-dependent fields of density ?, potential vorticity Q and potential temperature Î& cedil;[J. Phys. A, 38, 6419 (2005)]. The method is based on the fundamental equations without approximation. The basic idea is to consider the time-dependent continuity equation as a condition for zero divergence of momentum in four dimensions (time and space, with unit velocity in time). This continuity equation is solved by an ansatz for the four-dimensional momentum using three conserved stream functions, the potential vorticity, potential temperature and a third field, denoted as ?-potential. In zonal flows, the ?-potential identifies the initial longitude of particles, whereas potential vorticity and potential temperature identify mainly meridional and vertical positions. Since the Lagrangian tracers Q, Î&,cedil; and ? determine the Eulerian velocity field, the reconstruction combines the Eulerian and the Lagrangian view of hydrodynamics. In stationary flows, the ?-potential is related to the Bernoulli function. The approach requires that the gradients of the potential vorticity and potential temperature do not vanish when the velocity remains finite. This behavior indicates a possible interrelation with stability conditions. Examples with analytical solutions are presented for a Rossby wave and zonal and rotational shear flows.

A New Approach of Designing Superalloys for Low Density

NASA Technical Reports Server (NTRS)

MacKay, Rebecca A.; Gabb, Timothy P.; Smialek, James L.; Nathal, Michael V.

2010-01-01

New low-density single-crystal (LDS) alloy, have bee. developed for turbine blade applications, which have the potential for significant improvements in the thrust-to-weight ratio over current production superalloys. An innovative alloying strategy was wed to achieve alloy density reductions, high-temperature creep resistance, microstructural stability, and cyclic oxidation resistance. The alloy design relies on molybdenum as a potent. lower-density solid-solution strengthener in the nickel-based superalloy. Low alloy density was also achieved with modest rhenium levels tmd the absence of tungsten. Microstructural, physical mechanical, and environmental testing demonstrated the feasibility of this new LDS superalloy design.

Study of Plasma Waves Observed onboard Rosetta in the 67P/ChuryumovGerasimenko Comet Environment Using High Time Resolution Density Data Inferred from RPC-MIP and RPC-LAP Cross-calibration

NASA Astrophysics Data System (ADS)

Breuillard, H.; Henri, P.; Vallières, X.; Eriksson, A. I.; Odelstad, E.; Johansson, F. L.; Richter, I.; Goetz, C.; Wattieaux, G.; Tsurutani, B.; Hajra, R.; Le Contel, O.

2017-12-01

During two years, the groundbreaking ESA/Rosetta mission was able to escort comet 67P where previous cometary missions were only limited to flybys. This enabled for the first time to make in-situ measurements of the evolution of a comet's plasma environment. The density and temperature measured by Rosetta are derived from RPC-Mutual Impedance Probe (MIP) and RPC-Langmuir Probe (LAP). On one hand, low time resolution electron density are calculated using the plasma frequency extracted from the MIP mutual impedance spectra. On the other hand, high time resolution density fluctuations are estimated from the spacecraft potential measured by LAP. In this study, using a simple spacecraft charging model, we perform a cross-calibration of MIP plasma density and LAP spacecraft potential variations to obtain high time resolution measurements of the electron density. These results are also used to constrain the electron temperature. Then we make use of these new dataset, together with RPC-MAG magnetic field measurements, to investigate for the first time the compressibility and the correlations between plasma and magnetic field variations, for both singing comet waves and steepened waves observed, respectively during low and high cometary outgassing activity, in the plasma environment of comet 67P.

Diagnostics of AC excited Atmospheric Pressure Plasma Jet with He for Biomedical Applications

NASA Astrophysics Data System (ADS)

Hori, Masaru; Takeda, Keigo; Kumakura, Takumi; Ishikawa, Kenji; Tanaka, Hiromasa; Kondo, Hiroki; Sekine, Makoto; Nakai, Yoshihiro

2014-10-01

Atmospheric pressure plasma jets (APPJ) are frequently used for biomedical applications. Reactive species generated by the APPJ play important roles for treatments of biomedical samples. Therefore, high density APPJ sources are required to realize the high performance. Our group has developed AC excited Ar APPJ with electron density as high as 1015 cm-3, and realized the selective killing of cancer cells and the inactivate spores of Penicillium digitatum. Recently, a new spot-size AC excited APPJ with He gas have been developed. In this study, the He APPJ was characterized by using spectroscopy. The plasma was discharged at a He flow rate of 5 slm and a discharge voltage of AC 9 kV. Gas temperature and electron density of the APPJ were measured by optical emission spectroscopy. From theoretical fitting of 2nd positive system of N2 emission (380.4 nm) and Stark broadening of Balmer β line of H atom (486.1 nm), the gas temperature and the electron density was estimated to be 299 K and 3.4. × 1015 cm-3. The AC excited He APPJ has a potential to realize high density with room temperature and become a very powerful tool for biomedical applications.

NiF2 Cathodes For Rechargeable Na Batteries

NASA Technical Reports Server (NTRS)

Bugga, Ratnakumar V.; Distefano, Salvador; Halpert, Gerald

1992-01-01

Use of NiF2 cathodes in medium-to-high-temperature rechargeable sodium batteries increases energy and power densities by 25 to 30 percent without detracting from potential advantage of safety this type of sodium battery offers over sodium batteries having sulfur cathodes. High-energy-density sodium batteries with metal fluoride cathodes used in electric vehicles and for leveling loads on powerlines.

Species composition of sand flies and bionomics of Phlebotomus papatasi and P. sergenti (Diptera: Psychodidae) in cutaneous leishmaniasis endemic foci, Morocco.

PubMed

Boussaa, Samia; Kahime, Kholoud; Samy, Abdallah M; Salem, Abdelkrim Ben; Boumezzough, Ali

2016-02-02

Cutaneous Leishmaniasis (CL) is one of the most neglected tropical diseases in Morocco. Leishmania major and L. tropica are the main culprits identified in all endemic foci across the country. These two etiological agents are transmitted by Phlebotomus papatasi and P. sergenti, the two most prevalent sand fly species in Morocco. Previous studies reflected gaps of knowledge regarding the environmental fingerprints that affect the distribution of these two potential vectors across Morocco. The sand flies were collected from 48 districts across Morocco using sticky paper traps. Collected specimens were preserved in 70% ethanol for further processing and identification. Male and female densities were calculated in each site to examine their relations to the environmental conditions across these sites. The study used 19 environmental variables including precipitation, aridity, elevation, soil variables and a composite representing maximum, minimum and mean of day- and night-time Land Surface Temperature (LST), and Normalized Difference Vegetation Index (NDVI). A total of 11,717 specimens were collected during this entomological survey. These specimens represented 11 species of two genera; Phlebotomus and Sergentomyia. Correlations of the sand fly densities with the environmental variables were estimated to identify the variables which influence the distribution of the two potential vectors, Phlebotomus papatasi and P. sergenti, associated with all CL endemic foci across the country. The density of P. papatasi was most affected by temperature changes. The study showed a significant positive correlation between the densities of both sexes of P. papatasi and night-time temperatures. Both P. papatasi and P. sergenti showed a negative correlation with aridity, but, such correlation was only significant in case of P. papatasi. NDVI showed a positive correlation only with densities of P. sergenti, while, soil PH and soil water stress were negatively correlated with the densities of both males and females of only P. papatasi. Our results identified the sand fly species across all CL endemic sites and underlined the influences of night-time temperature, soil water stress and NDVI as the most important variables affecting the sand fly distribution in all sampled sites. This preliminary study considered the importance of these covariates to anticipate the potential distribution of P. papatasi and P. sergenti in Morocco.

Impact of operating conditions on the acetylene contamination in the cathode of proton exchange membrane fuel cells

NASA Astrophysics Data System (ADS)

Zhai, Yunfeng; St-Pierre, Jean

2017-12-01

Realistically, proton exchange membrane fuel cells (PEMFCs) are operated under varying operating conditions that potentially impact the acetylene contamination reactions. In this paper, the effects of the cell operating conditions on the acetylene contamination in PEMFCs are investigated under different current densities and temperatures with different acetylene concentrations in the cathode. Electrochemical impedance spectroscopy is applied during the constant-current operation to analyze the impacts of the operating conditions on the acetylene electrochemical reactions. The experimental results indicate that higher acetylene concentrations, higher current densities and lower cell temperatures decrease the cell performance more. In particular, cathode poisoning becomes more severe at medium cell current densities. The cell cathode potentials at such current densities are not sufficient to completely oxidize the intermediate or sufficiently low to completely reduce the adsorbed acetylene. Based on these investigations, the possible condition-dependent limitations of the acetylene concentration and cell operating voltage are proposed for insight into the acetylene contamination mitigation stratagem. Regarding the barrier conditions, the acetylene reactions change abruptly, and adjusting the cell operation parameters to change the acetylene adsorbate and intermediate accumulation conditions to induce complete oxidation or reduction conditions may mitigate the severe acetylene contamination effects on PEMFCs.

Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

NASA Astrophysics Data System (ADS)

Meng, Qingping; Wu, Lijun; Welch, David O.; Zhu, Yimei

2015-06-01

We studied the lattice vibrations of two interpenetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. As the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of the FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a nonzero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a "devil's staircase" behavior at a finite temperature.

Anopheles atroparvus density modeling using MODIS NDVI in a former malarious area in Portugal.

PubMed

Lourenço, Pedro M; Sousa, Carla A; Seixas, Júlia; Lopes, Pedro; Novo, Maria T; Almeida, A Paulo G

2011-12-01

Malaria is dependent on environmental factors and considered as potentially re-emerging in temperate regions. Remote sensing data have been used successfully for monitoring environmental conditions that influence the patterns of such arthropod vector-borne diseases. Anopheles atroparvus density data were collected from 2002 to 2005, on a bimonthly basis, at three sites in a former malarial area in Southern Portugal. The development of the Remote Vector Model (RVM) was based upon two main variables: temperature and the Normalized Differential Vegetation Index (NDVI) from the Moderate Resolution Imaging Spectroradiometer (MODIS) Terra satellite. Temperature influences the mosquito life cycle and affects its intra-annual prevalence, and MODIS NDVI was used as a proxy for suitable habitat conditions. Mosquito data were used for calibration and validation of the model. For areas with high mosquito density, the model validation demonstrated a Pearson correlation of 0.68 (p<0.05) and a modelling efficiency/Nash-Sutcliffe of 0.44 representing the model's ability to predict intra- and inter-annual vector density trends. RVM estimates the density of the former malarial vector An. atroparvus as a function of temperature and of MODIS NDVI. RVM is a satellite data-based assimilation algorithm that uses temperature fields to predict the intra- and inter-annual densities of this mosquito species using MODIS NDVI. RVM is a relevant tool for vector density estimation, contributing to the risk assessment of transmission of mosquito-borne diseases and can be part of the early warning system and contingency plans providing support to the decision making process of relevant authorities. © 2011 The Society for Vector Ecology.

X-ray tomography as a non-destructive tool for evaluating the preservation of primary isotope signatures and mineralogy of Mesozoic fossils

NASA Astrophysics Data System (ADS)

Santillan, J. D.; Boyce, J. W.; Eagle, R.; Martin, T.; Tuetken, T.; Eiler, J.

2010-12-01

The stable isotope compositions of carbonate and phosphate components in fossil teeth and bone are widely used to infer information on paleoclimate and the physiology of extinct organisms. Recently the potential for measuring the body temperatures of extinct vertebrates from analyses of 13C-18O bond ordering in fossil teeth has been demonstrated (Eagle et al. 2010). The interpretation of these isotopic signatures relies on an assessment of the resistance of fossil bioapatite to alteration, as diffusion within, and partial recrystallization, or replacement of the original bioapatite will lead to measured compositions that represent mixtures between primary and secondary phases and/or otherwise inaccurate apparent temperatures. X-ray computed tomography (CT) allows 3-D density maps of teeth to be made at micron-scale resolution. Such density maps have the potential to record textural evidence for alteration, recrystallization, or replacement of enamel. Because it is non-destructive, CT can be used prior to stable isotope analysis to identify potentially problematic samples without consuming or damaging scientifically significant specimens. As a test, we have applied CT to tooth fragments containing both dentin and enamel from Late Jurassic sauropods and a Late Cretaceous theropod that yielded a range of clumped isotope temperatures from anomalously high ˜60oC to physiologically plausible ≤40oC. This range of temperatures suggests partial, high-temperature modification of some specimens, but possible preservation of primary signals in others. Three-dimensional CT volumes generated using General Electric Phoenix|x-ray CT instruments were compared with visible light and back-scattered electron images of the same samples. The tube-detector combination used for the CT study consisted of a 180 kV nanofocus transmission tube coupled with a 127 micron pixel pitch detector ( ˜3-12μ m voxel edges), allowing us to clearly map out alteration zones in high contrast, while reducing edge effects and beam hardening artifacts. CT images of these teeth show a range of replacement textures. One tooth -- thought to be the least altered -- shows only localized positive density anomalies near fractures, while a second -- thought to be highly altered -- contains high-density replacement mineralization. A third tooth -- one suspected of possible partial alteration -- shows a network of rectilinear density anomalies in the enamel similar to 2-D transmitted light and back-scattered electron images. This may represent recrystallization or replacement of the primary bioapatite. Unlike 2-D imaging techniques, 3-D volumes can be used to quickly and easily make quantitative measurements of the volumes of altered and unaltered materials: For example, in the enamel of sample 3, we observe a ratio of high density to low density material of ˜ 3:2.

Thermodynamic responses of electronic systems.

PubMed

Franco-Pérez, Marco; Ayers, Paul W; Gázquez, José L; Vela, Alberto

2017-09-07

We present how the framework of the temperature-dependent chemical reactivity theory can describe the panorama of different types of interactions between an electronic system and external reagents. The key reactivity indicators are responses of an appropriate state function (like the energy or grand potential) to the variables that determine the state of the system (like the number of electrons/chemical potential, external potential, and temperature). We also consider the response of the average electron density to appropriate perturbations. We present computable formulas for these reactivity indicators and discuss their chemical utility for describing electronic, electrostatic, and thermal changes associated with chemical processes.

Thermodynamic responses of electronic systems

NASA Astrophysics Data System (ADS)

Franco-Pérez, Marco; Ayers, Paul W.; Gázquez, José L.; Vela, Alberto

2017-09-01

We present how the framework of the temperature-dependent chemical reactivity theory can describe the panorama of different types of interactions between an electronic system and external reagents. The key reactivity indicators are responses of an appropriate state function (like the energy or grand potential) to the variables that determine the state of the system (like the number of electrons/chemical potential, external potential, and temperature). We also consider the response of the average electron density to appropriate perturbations. We present computable formulas for these reactivity indicators and discuss their chemical utility for describing electronic, electrostatic, and thermal changes associated with chemical processes.

Areal density optimizations for heat-assisted magnetic recording of high-density media

NASA Astrophysics Data System (ADS)

Vogler, Christoph; Abert, Claas; Bruckner, Florian; Suess, Dieter; Praetorius, Dirk

2016-06-01

Heat-assisted magnetic recording (HAMR) is hoped to be the future recording technique for high-density storage devices. Nevertheless, there exist several realization strategies. With a coarse-grained Landau-Lifshitz-Bloch model, we investigate in detail the benefits and disadvantages of a continuous and pulsed laser spot recording of shingled and conventional bit-patterned media. Additionally, we compare single-phase grains and bits having a bilayer structure with graded Curie temperature, consisting of a hard magnetic layer with high TC and a soft magnetic one with low TC, respectively. To describe the whole write process as realistically as possible, a distribution of the grain sizes and Curie temperatures, a displacement jitter of the head, and the bit positions are considered. For all these cases, we calculate bit error rates of various grain patterns, temperatures, and write head positions to optimize the achievable areal storage density. Within our analysis, shingled HAMR with a continuous laser pulse moving over the medium reaches the best results and thus has the highest potential to become the next-generation storage device.

Observation of warm, higher energy electrons transiting a double layer in a helicon plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sung, Yung-Ta, E-mail: ysung2@wisc.edu; Li, Yan; Scharer, John E.

2015-03-15

Measurements of an inductive RF helicon argon plasma double layer with two temperature electron distributions including a fast (>80 eV) tail are observed at 0.17 mTorr Ar pressure. The fast, untrapped electrons observed downstream of the double layer have a higher temperature (13 eV) than the trapped (T{sub e} = 4 eV) electrons. The reduction of plasma potential and density observed in the double layer region would require an upstream temperature ten times the measured 4 eV if occurring via Boltzmann ambipolar expansion. The experimental observation in Madison helicon experiment indicates that fast electrons with substantial density fractions can be created at low helicon operating pressures.

An ISO and IUE Study of Planetary Nebula NGC 2440

NASA Technical Reports Server (NTRS)

Salas, J. Bernard; Pottasch, S. R.; Feibelman, W. A.; Wesselius, P. R.; Oegerle, William R. (Technical Monitor)

2002-01-01

The infrared and ultraviolet spectra of planetary nebula NGC 2440 is presented. The observations were made respectively by the Infrared Space Observatory (ISO) and International Ultraviolet Explorer (IUE) These data, in conjunction with published optical observations have been used to derive electron temperature and density. A trend of electron temperature with ionization potential is found. In particular the electron temperature increases from 11000 to 18000 K with increasing IBM. The electron density has a constant value of 4500/cu cm in agreement with previous determination. The chemical abundance has been derived for the following elements; helium, carbon, nitrogen, oxygen, neon, sulfur and argon. The ionization correction factor turns out to be very small (almost unnecessary) for all species except sulfur.

An empirical model for parameters affecting energy consumption in boron removal from boron-containing wastewaters by electrocoagulation.

PubMed

Yilmaz, A Erdem; Boncukcuoğlu, Recep; Kocakerim, M Muhtar

2007-06-01

In this study, it was investigated parameters affecting energy consumption in boron removal from boron containing wastewaters prepared synthetically, via electrocoagulation method. The solution pH, initial boron concentration, dose of supporting electrolyte, current density and temperature of solution were selected as experimental parameters affecting energy consumption. The obtained experimental results showed that boron removal efficiency reached up to 99% under optimum conditions, in which solution pH was 8.0, current density 6.0 mA/cm(2), initial boron concentration 100mg/L and solution temperature 293 K. The current density was an important parameter affecting energy consumption too. High current density applied to electrocoagulation cell increased energy consumption. Increasing solution temperature caused to decrease energy consumption that high temperature decreased potential applied under constant current density. That increasing initial boron concentration and dose of supporting electrolyte caused to increase specific conductivity of solution decreased energy consumption. As a result, it was seen that energy consumption for boron removal via electrocoagulation method could be minimized at optimum conditions. An empirical model was predicted by statistically. Experimentally obtained values were fitted with values predicted from empirical model being as following; [formula in text]. Unfortunately, the conditions obtained for optimum boron removal were not the conditions obtained for minimum energy consumption. It was determined that support electrolyte must be used for increase boron removal and decrease electrical energy consumption.

Air density dependence of the response of the PTW SourceCheck 4pi ionization chamber for 125I brachytherapy seeds.

PubMed

Torres Del Río, J; Tornero-López, A M; Guirado, D; Pérez-Calatayud, J; Lallena, A M

2017-06-01

To analyze the air density dependence of the response of the new SourceCheck 4pi ionization chamber, manufactured by PTW. The air density dependence of three different SourceCheck 4pi chambers was studied by measuring 125 I sources. Measurements were taken by varying the pressure from 746.6 to 986.6hPa in a pressure chamber. Three different HDR 1000 Plus ionization chambers were also analyzed under similar conditions. A linear and a potential-like function of the air density were fitted to experimental data and their achievement in describing them was analyzed. SourceCheck 4pi chamber response showed a residual dependence on the air density once the standard pressure and temperature factor was applied. The chamber response was overestimated when the air density was below that under normal atmospheric conditions. A similar dependence was found for the HDR 1000 Plus chambers analyzed. A linear function of the air density permitted a very good description of this residual dependence, better than with a potential function. No significant variability between the different specimens of the same chamber model studied was found. The effect of overestimation observed in the chamber responses once they are corrected for the standard pressure and temperature may represent a non-negligible ∼4% overestimation in high altitude cities as ours (700m AMSL). This overestimation behaves linearly with the air density in all cases analyzed. Copyright © 2017 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Microscopic description of a drop on a solid surface.

PubMed

Ruckenstein, Eli; Berim, Gersh O

2010-06-14

Two approaches recently suggested for the treatment of macro- or nanodrops on smooth or rough, planar or curved, solid surfaces, based on fluid-fluid and fluid-solid interaction potentials are reviewed. The first one employs the minimization of the total potential energy of a drop by assuming that the drop has a well defined profile and a constant liquid density in its entire volume with the exception of the monolayer nearest to the surface where the density has a different value. As a result, a differential equation for the drop profile as well as the necessary boundary conditions are derived which involve the parameters of the interaction potentials and do not contain such macroscopic characteristics as the surface tensions. As a consequence, the macroscopic and microscopic contact angles which the drop profile makes with the surface can be calculated. The macroscopic angle is obtained via the extrapolation of the circular part of the drop profile valid at some distance from the surface up to the solid surface. The microscopic angle is formed at the intersection of the real profile (which is not circular near the surface) with the surface. The theory provides a relation between these two angles. The ranges of the microscopic parameters of the interaction potentials for which (i) the drop can have any height (volume), (ii) the drop can have a restricted height but unrestricted volume, and (iii) a drop cannot be formed on the surface were identified. The theory was also extended to the description of a drop on a rough surface. The second approach is based on a nonlocal density functional theory (DFT), which accounts for the inhomogeneity of the liquid density and temperature effects, features which are missing in the first approach. Although the computational difficulties restrict its application to drops of only several nanometers, the theory can be applied indirectly to macrodrops by calculating the surface tensions and using the Young equation to determine the contact angle. Employing the canonical ensemble version of the DFT, nanodrops on smooth and rough solid surfaces could be investigated and their characteristics, such as the drop profile, contact angle, as well as the fluid density distribution inside the drop can be determined as functions of the parameters of the interaction potentials and temperature. It was found that the contact angle of the drop has a simple (quasi)universal dependence on the energy parameter epsilon(fs) of the fluid-solid interaction potential and temperature. The main feature of this dependence is the existence of a fixed value theta(0) of the contact angle theta which separates the solid substrates (characterized by the energy parameter epsilon(fs) of the fluid-solid interaction potential) into two classes with respect to their temperature dependence. For theta>theta(0) the contact angle monotonously increases and for theta

Onset of two-dimensional superconductivity in space charge doped few-layer molybdenum disulfide

NASA Astrophysics Data System (ADS)

Biscaras, Johan; Chen, Zhesheng; Paradisi, Andrea; Shukla, Abhay

2015-11-01

Atomically thin films of layered materials such as molybdenum disulfide (MoS2) are of growing interest for the study of phase transitions in two-dimensions through electrostatic doping. Electrostatic doping techniques giving access to high carrier densities are needed to achieve such phase transitions. Here we develop a method of electrostatic doping which allows us to reach a maximum n-doping density of 4 × 1014 cm-2 in few-layer MoS2 on glass substrates. With increasing carrier density we first induce an insulator to metal transition and subsequently an incomplete metal to superconductor transition in MoS2 with critical temperature ~10 K. Contrary to earlier reports, after the onset of superconductivity, the superconducting transition temperature does not depend on the carrier density. Our doping method and the results we obtain in MoS2 for samples as thin as bilayers indicates the potential of this approach.

Validating density-functional theory simulations at high energy-density conditions with liquid krypton shock experiments to 850 GPa on Sandia's Z machine

DOE PAGES

Mattsson, Thomas R.; Root, Seth; Mattsson, Ann E.; ...

2014-11-11

We use Sandia's Z machine and magnetically accelerated flyer plates to shock compress liquid krypton to 850 GPa and compare with results from density-functional theory (DFT) based simulations using the AM05 functional. We also employ quantum Monte Carlo calculations to motivate the choice of AM05. We conclude that the DFT results are sensitive to the quality of the pseudopotential in terms of scattering properties at high energy/temperature. A new Kr projector augmented wave potential was constructed with improved scattering properties which resulted in excellent agreement with the experimental results to 850 GPa and temperatures above 10 eV (110 kK). Inmore » conclusion, we present comparisons of our data from the Z experiments and DFT calculations to current equation of state models of krypton to determine the best model for high energy-density applications.« less

Self-consistent mean-field approach to the statistical level density in spherical nuclei

NASA Astrophysics Data System (ADS)

Kolomietz, V. M.; Sanzhur, A. I.; Shlomo, S.

2018-06-01

A self-consistent mean-field approach within the extended Thomas-Fermi approximation with Skyrme forces is applied to the calculations of the statistical level density in spherical nuclei. Landau's concept of quasiparticles with the nucleon effective mass and the correct description of the continuum states for the finite-depth potentials are taken into consideration. The A dependence and the temperature dependence of the statistical inverse level-density parameter K is obtained in a good agreement with experimental data.

An energy balance model for forest canopies: a case study

Treesearch

S. M. Goltz; James A. Smith

1996-01-01

The use of thermal scanning devices to map underlying terrain surface temperatures has been recognized as a potential tool for estimating evapotranspiration and latent heat flux densities in forest canopies.

Density functional theory calculations of continuum lowering in strongly coupled plasmas.

PubMed

Vinko, S M; Ciricosta, O; Wark, J S

2014-03-24

An accurate description of the ionization potential depression of ions in plasmas due to their interaction with the environment is a fundamental problem in plasma physics, playing a key role in determining the ionization balance, charge state distribution, opacity and plasma equation of state. Here we present a method to study the structure and position of the continuum of highly ionized dense plasmas using finite-temperature density functional theory in combination with excited-state projector augmented-wave potentials. The method is applied to aluminium plasmas created by intense X-ray irradiation, and shows excellent agreement with recently obtained experimental results. We find that the continuum lowering for ions in dense plasmas at intermediate temperatures is larger than predicted by standard plasma models and explain this effect through the electronic structure of the valence states in these strong-coupling conditions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Komppula, J., E-mail: jani.komppula@jyu.fi; Tarvainen, O.

A theoretical framework for power dissipation in low temperature plasmas in corona equilibrium is developed. The framework is based on fundamental conservation laws and reaction cross sections and is only weakly sensitive to plasma parameters, e.g., electron temperature and density. The theory is applied to low temperature atomic and molecular hydrogen laboratory plasmas for which the plasma heating power dissipation to photon emission, ionization, and chemical potential is calculated. The calculated photon emission is compared to recent experimental results.

Temperature of the plasmasphere from Van Allen Probes HOPE

NASA Astrophysics Data System (ADS)

Genestreti, K. J.; Goldstein, J.; Corley, G. D.; Farner, W.; Kistler, L. M.; Larsen, B. A.; Mouikis, C. G.; Ramnarace, C.; Skoug, R. M.; Turner, N. E.

2017-01-01

We introduce two novel techniques for estimating temperatures of very low energy space plasmas using, primarily, in situ data from an electrostatic analyzer mounted on a charged and moving spacecraft. The techniques are used to estimate proton temperatures during intervals where the bulk of the ion plasma is well below the energy bandpass of the analyzer. Both techniques assume that the plasma may be described by a one-dimensional E→×B→ drifting Maxwellian and that the potential field and motion of the spacecraft may be accounted for in the simplest possible manner, i.e., by a linear shift of coordinates. The first technique involves the application of a constrained theoretical fit to a measured distribution function. The second technique involves the comparison of total and partial-energy number densities. Both techniques are applied to Van Allen Probes Helium, Oxygen, Proton, and Electron (HOPE) observations of the proton component of the plasmasphere during two orbits on 15 January 2013. We find that the temperatures calculated from these two order-of-magnitude-type techniques are in good agreement with typical ranges of the plasmaspheric temperature calculated using retarding potential analyzer-based measurements—generally between 0.2 and 2 eV (2000-20,000 K). We also find that the temperature is correlated with L shell and hot plasma density and is negatively correlated with the cold plasma density. We posit that the latter of these three relationships may be indicative of collisional or wave-driven heating of the plasmasphere in the ring current overlap region. We note that these techniques may be easily applied to similar data sets or used for a variety of purposes.

Molecular Insights into Carbon Nanotube Supercapacitors: Capacitance Independent of Voltage and Temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Guang; Li, Song; Atchison, Jennifer S.

2013-04-12

Molecular dynamics (MD) simulations of supercapacitors with single-walled carbon nanotube (SWCNT) electrodes in room-temperature ionic liquids were performed to investigate the influences of the applied electrical potential, the radius/curvature of SWCNTs, and temperature on their capacitive behavior. It is found that (1) SWCNTs-based supercapacitors exhibit a near-flat capacitance–potential curve, (2) the capacitance increases as the tube radius decreases, and (3) the capacitance depends little on the temperature. We report the first MD study showing the influence of the electrode curvature on the capacitance–potential curve and negligible dependence of temperature on capacitance of tubular electrode. The latter is in good agreementmore » with recent experimental findings and is attributed to the similarity of the electrical double layer (EDL) microstructure with temperature varying from 260 to 400 K. The electrode curvature effect is explained by the dominance of charge overscreening and increased ion density per unit area of electrode surface.« less

[Effect of temperature on performance of microbial fuel cell using beer wastewater].

PubMed

Wang, Xin; Feng, Yu-Jie; Qu, You-Peng; Li, Dong-Mei; Li, He; Ren, Nan-Qi

2008-11-01

The effects of temperature on performance and biological community structure were investigated in air-cathode microbial fuel cells (MFCs) using beer wastewater amended with 50 mmol/L phosphate buffer solution (PBS). The maximum power density decreased from 483 mW/m2 to 435 mW/m2 when the temperature varied from 30 degrees C to 20 degrees C, meanwhile just a little decreasing on coulombic efficiency and the COD removal rate were observed. Decreasing of temperature resulted in effects both on cathode potential and anode potential, but cathode potential behaved much more sensitive to temperature. The half-saturation constants (Ks) obtained from the fit of Monod-type equation were 228 mg/L (30 degrees C) and 293 mg/L (20 degrees C) respectively. Denaturing gradient gel electrophoresis (DGGE) analysis indicated that operating temperature not only affected the predominant population of the anodic bacterial community, but also had a great impact on the diversity of the cathodic microbial population.

Electron temperature and heat load measurements in the COMPASS divertor using the new system of probes

NASA Astrophysics Data System (ADS)

Adamek, J.; Seidl, J.; Horacek, J.; Komm, M.; Eich, T.; Panek, R.; Cavalier, J.; Devitre, A.; Peterka, M.; Vondracek, P.; Stöckel, J.; Sestak, D.; Grover, O.; Bilkova, P.; Böhm, P.; Varju, J.; Havranek, A.; Weinzettl, V.; Lovell, J.; Dimitrova, M.; Mitosinkova, K.; Dejarnac, R.; Hron, M.; The COMPASS Team; The EUROfusion MST1 Team

2017-11-01

A new system of probes was recently installed in the divertor of tokamak COMPASS in order to investigate the ELM energy density with high spatial and temporal resolution. The new system consists of two arrays of rooftop-shaped Langmuir probes (LPs) used to measure the floating potential or the ion saturation current density and one array of Ball-pen probes (BPPs) used to measure the plasma potential with a spatial resolution of ~3.5 mm. The combination of floating BPPs and LPs yields the electron temperature with microsecond temporal resolution. We report on the design of the new divertor probe arrays and first results of electron temperature profile measurements in ELMy H-mode and L-mode. We also present comparative measurements of the parallel heat flux using the new probe arrays and fast infrared termography (IR) data during L-mode with excellent agreement between both techniques using a heat power transmission coefficient γ  =  7. The ELM energy density {{\\varepsilon }\\parallel } was measured during a set of NBI assisted ELMy H-mode discharges. The peak values of {{\\varepsilon }\\parallel } were compared with those predicted by model and with experimental data from JET, AUG and MAST with a good agreement.

Optimization of cellulose nanocrystal length and surface charge density through phosphoric acid hydrolysis

NASA Astrophysics Data System (ADS)

Vanderfleet, Oriana M.; Osorio, Daniel A.; Cranston, Emily D.

2017-12-01

Cellulose nanocrystals (CNCs) are emerging nanomaterials with a large range of potential applications. CNCs are typically produced through acid hydrolysis with sulfuric acid; however, phosphoric acid has the advantage of generating CNCs with higher thermal stability. This paper presents a design of experiments approach to optimize the hydrolysis of CNCs from cotton with phosphoric acid. Hydrolysis time, temperature and acid concentration were varied across nine experiments and a linear least-squares regression analysis was applied to understand the effects of these parameters on CNC properties. In all but one case, rod-shaped nanoparticles with a high degree of crystallinity and thermal stability were produced. A statistical model was generated to predict CNC length, and trends in phosphate content and zeta potential were elucidated. The CNC length could be tuned over a relatively large range (238-475 nm) and the polydispersity could be narrowed most effectively by increasing the hydrolysis temperature and acid concentration. The CNC phosphate content was most affected by hydrolysis temperature and time; however, the charge density and colloidal stability were considered low compared with sulfuric acid hydrolysed CNCs. This study provides insight into weak acid hydrolysis and proposes `design rules' for CNCs with improved size uniformity and charge density. This article is part of a discussion meeting issue `New horizons for cellulose nanotechnology'.

Contact angle of sessile drops in Lennard-Jones systems.

PubMed

Becker, Stefan; Urbassek, Herbert M; Horsch, Martin; Hasse, Hans

2014-11-18

Molecular dynamics simulations are used for studying the contact angle of nanoscale sessile drops on a planar solid wall in a system interacting via the truncated and shifted Lennard-Jones potential. The entire range between total wetting and dewetting is investigated by varying the solid-fluid dispersive interaction energy. The temperature is varied between the triple point and the critical temperature. A correlation is obtained for the contact angle in dependence of the temperature and the dispersive interaction energy. Size effects are studied by varying the number of fluid particles at otherwise constant conditions, using up to 150,000 particles. For particle numbers below 10,000, a decrease of the contact angle is found. This is attributed to a dependence of the solid-liquid surface tension on the droplet size. A convergence to a constant contact angle is observed for larger system sizes. The influence of the wall model is studied by varying the density of the wall. The effective solid-fluid dispersive interaction energy at a contact angle of θ = 90° is found to be independent of temperature and to decrease linearly with the solid density. A correlation is developed that describes the contact angle as a function of the dispersive interaction, the temperature, and the solid density. The density profile of the sessile drop and the surrounding vapor phase is described by a correlation combining a sigmoidal function and an oscillation term.

Investigation of process and product parameters for physicochemical properties of rice and mung bean (Vigna radiata) flour based extruded snacks.

PubMed

Sharma, Chetan; Singh, Baljit; Hussain, Syed Zameer; Sharma, Savita

2017-05-01

PR 106 and SML 668 cultivars of rice and mung bean respectively, were studied for their potential to serve as a nutritious snack with improved protein quality and quantity. The effect of extrusion conditions, including feed moisture content (14-18%), screw speed (400-550 rpm) and barrel temperature (130-170°C) on the physicochemical properties (bulk density, water absorption index (WAI), water solubility index (WSI) and hardness) was investigated. The replacement of rice flour at 30% level with mung bean flour for making extruded snacks was evaluated. Pasting temperature increased (84-93 °C) while peak viscosity (2768-408 cP), hold viscosity (2018-369 cP), breakdown (750-39 cP), setback (2697-622 cP) and final viscosity (4715-991 cP) decreased with increasing mung bean flour addition. Increasing feed moisture lowered the specific mechanical energy (SME), WAI and WSI of extrudates whereas increased bulk density and hardness. Higher screw speed had linear positive effect on SME of extruder and negative linear effect on WAI. Positive curvilinear quadratic effect of screw speed was also observed on WSI and density. Higher barrel temperature linearly decreased the SME, density and hardness of extrudates. Developed extrusion cooked rice-mung bean snacks with increased protein content and improved protein quality along with higher dietary fibre and minerals have good potential in effectively delivering the nutrition to the population.

End point of a first-order phase transition in many-flavor lattice QCD at finite temperature and density.

PubMed

Ejiri, Shinji; Yamada, Norikazu

2013-04-26

Towards the feasibility study of the electroweak baryogenesis in realistic technicolor scenario, we investigate the phase structure of (2+N(f))-flavor QCD, where the mass of two flavors is fixed to a small value and the others are heavy. For the baryogenesis, an appearance of a first-order phase transition at finite temperature is a necessary condition. Using a set of configurations of two-flavor lattice QCD and applying the reweighting method, the effective potential defined by the probability distribution function of the plaquette is calculated in the presence of additional many heavy flavors. Through the shape of the effective potential, we determine the critical mass of heavy flavors separating the first-order and crossover regions and find it to become larger with N(f). We moreover study the critical line at finite density and the first-order region is found to become wider as increasing the chemical potential. Possible applications to real (2+1)-flavor QCD are discussed.

Detection of an electron beam in a high density plasma via an electrostatic probe

NASA Astrophysics Data System (ADS)

Majeski, Stephen; Yoo, Jongsoo; Zweben, Stewart; Yamada, Masaaki; Ji, Hantao

2017-10-01

The perturbation in floating potential by an electron beam is detected by a 1D floating potential probe array to evaluate the use of an electron beam for magnetic field line mapping in the Magnetic Reconnection Experiment (MRX) plasma. The MRX plasma is relatively high density (1013 cm-3) and low temperature (5 eV). Beam electrons are emitted from a tungsten filament and are accelerated by a 200 V potential across the sheath. They stream along the magnetic field lines towards the probe array. The spatial electron beam density profile is assumed to be a Gaussian along the radial axis of MRX and the effective beam width is determined from the radial profile of the floating potential. The magnitude of the perturbation is in agreement with theoretical predictions and the location of the perturbation is also in agreement with field line mapping. In addition, no significant broadening of the electron beam is observed after propagation for tens of centimeters through the high density plasma. These results demonstrate that this method of field line mapping is, in principle, feasible in high density plasmas. This work is supported by the DOE Contract No. DE-AC0209CH11466.

Experimentally Determined Plasma Parameters in a 30 cm Ion Engine

NASA Technical Reports Server (NTRS)

Sengupta, Anita; Goebel, Dan; Fitzgerald, Dennis; Owens, Al; Tynan, George; Dorner, Russ

2004-01-01

Single planar Langmuir probes and fiber optic probes are used to concurrently measure the plasma properties and neutral density variation in a 30cm diameter ion engine discharge chamber, from the immediate vicinity of the keeper to the near grid plasma region. The fiber optic probe consists of a collimated optical fiber recessed into a double bore ceramic tube fitted with a stainless steel light-limiting window. The optical fiber probe is used to measure the emission intensity of excited neutral xenon for a small volume of plasma, at various radial and axial locations. The single Langmuir probes, are used to generate current-voltage characteristics at a total of 140 spatial locations inside the discharge chamber. Assuming a maxwellian distribution for the electron population, the Langmuir probe traces provide spatially resolved measurements of plasma potential, electron temperature, and plasma density. Data reduction for the NSTAR TH8 and TH15 throttle points indicates an electron temperature range of 1 to 7.9 eV and an electron density range of 4e10 to le13 cm(sup -3), throughout the discharge chamber, consistent with the results in the literature. Plasma potential estimates, computed from the first derivative of the probe characteristic, indicate potential from 0.5V to 11V above the discharge voltage along the thruster centerline. These values are believed to be excessively high due to the sampling of the primary electron population along the thruster centerline. Relative neutral density profiles are also obtained with a fiber optic probe sampling photon flux from the 823.1 nm excited to ground state transition. Plasma parameter measurements and neutral density profiles will be presented as a function of probe location and engine discharge conditions. A discussion of the measured electron energy distribution function will also be presented, with regards to variation from pure maxwellian. It has been found that there is a distinct primary population found along the thruster centerline, which causes estimates of electron temperature, electron density, and plasma potential, to err on the high side, due this energetic population. Computation of the energy distribution fimction of the plasma clearly indicates the presence of primaries, whose presence become less obvious with radial distance from the main discharge plume.

Analysis of density effects in plasmas and their influence on electron-impact cross sections

NASA Astrophysics Data System (ADS)

Belkhiri, M.; Poirier, M.

2014-12-01

Density effects in plasmas are analyzed using a Thomas-Fermi approach for free electrons. First, scaling properties are determined for the free-electron potential and density. For hydrogen-like ions, the first two terms of an analytical expansion of this potential as a function of the plasma coupling parameter are obtained. In such ions, from these properties and numerical calculations, a simple analytical fit is proposed for the plasma potential, which holds for any electron density, temperature, and atomic number, at least assuming that Maxwell-Boltzmann statistics is applicable. This allows one to analyze perturbatively the influence of the plasma potential on energies, wave functions, transition rates, and electron-impact collision rates for single-electron ions. Second, plasmas with an arbitrary charge state are considered, using a modified version of the Flexible Atomic Code (FAC) package with a plasma potential based on a Thomas-Fermi approach. Various methods for the collision cross-section calculations are reviewed. The influence of plasma density on these cross sections is analyzed in detail. Moreover, it is demonstrated that, in a given transition, the radiative and collisional-excitation rates are differently affected by the plasma density. Some analytical expressions are proposed for hydrogen-like ions in the limit where the Born or Lotz approximation applies and are compared to the numerical results from the FAC.

Method of measuring reactive acoustic power density in a fluid

DOEpatents

Wheatley, John C.; Swift, Gregory W.; Migliori, Albert

1985-01-01

A method for determining reactive acoustic power density level and its direction in a fluid using a single sensor is disclosed. In the preferred embodiment, an apparatus for conducting the method, which is termed a thermoacoustic couple, consists of a stack of thin, spaced apart polymeric plates, selected ones of which include multiple bimetallic thermocouple junctions positioned along opposite end edges thereof. The thermocouple junctions are connected in series in the nature of a thermopile, and are arranged so as to be responsive to small temperature differences between the opposite edges of the plates. The magnitude of the temperature difference, as represented by the magnitude of the electrical potential difference generated by the thermopile, is found to be directly related to the level of acoustic power density in the gas.

Method of measuring reactive acoustic power density in a fluid

DOEpatents

Wheatley, J.C.; Swift, G.W.; Migliori, A.

1985-09-03

A method for determining reactive acoustic power density level and its direction in a fluid using a single sensor is disclosed. In the preferred embodiment, an apparatus for conducting the method, which is termed a thermoacoustic couple, consists of a stack of thin, spaced apart polymeric plates, selected ones of which include multiple bimetallic thermocouple junctions positioned along opposite end edges thereof. The thermocouple junctions are connected in series in the nature of a thermopile, and are arranged so as to be responsive to small temperature differences between the opposite edges of the plates. The magnitude of the temperature difference, as represented by the magnitude of the electrical potential difference generated by the thermopile, is found to be directly related to the level of acoustic power density in the gas. 5 figs.

Quantum Effects at a Proton Relaxation at Low Temperatures

NASA Astrophysics Data System (ADS)

Kalytka, V. A.; Korovkin, M. V.

2016-11-01

Quantum effects during migratory polarization in multi-well crystals (including multi-well silicates and crystalline hydrates) are investigated in a variable electric field at low temperatures by direct quantum-mechanical calculations. Based on analytical solution of the quantum Liouville kinetic equation in the linear approximation for the polarizing field, the non-stationary density matrix is calculated for an ensemble of non-interacting protons moving in the field of one-dimensional multi-well crystal potential relief of rectangular shape. An expression for the complex dielectric constant convenient for a comparison with experiment and calculation of relaxer parameters is derived using the nonequilibrium polarization density matrix. The density matrix apparatus can be used for analytical investigation of the quantum mechanism of spontaneous polarization of a ferroelectric material (KDP and DKDP).

Neutral particle dynamics in a high-power RF source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Todorov, D., E-mail: dimitar-tdrv@phys.uni-sofia.bg; Paunska, Ts.; Shivarova, A.

2015-04-08

Previous studies on the spatial discharge structure in the SPIDER source of negative hydrogen/deuterium ions carried out at low applied power are extended towards description of the discharge maintenance under the conditions of the actual rf power deposition of 100 kW planned for a single driver of the source. In addition to the expected higher electron density, the results show strong increase of the electron temperature and of the temperatures of the neutral species (hydrogen atoms and molecules). In the discussions, not only the spatial distribution of the plasma parameters but also that of the fluxes in the discharge (particlemore » and energy fluxes) is involved. The obtained results come in confirmation of basic concepts for low-pressure discharge maintenance: (i) mutually related electron density and temperature as a display of the generalized Schottky condition, (ii) discharge behavior governed by the fluxes, i.e. strong nonlocality in the discharge, and (iii) a non-ambipolarity in the discharge regime, which originates from shifted maxima of the electron density and temperature and shows evidence in a vortex electron flux and in a dc current in a rf discharge, the latter resulting from a shift in the positions of the maxima of the electron density and plasma potential.« less

Temperature dependence of soil water potential

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mohamed, A.M.O.; Yong, R.N.; Cheung, S.C.H.

1992-12-01

To understand the process of coupled heat and water transport, the relationship between temperature and soil water potential must be known. Two clays, Avonlea bentonite and Lake Agassiz clay, are being considered as the clay-based sealing materials for the Canadian nuclear fuel waste disposal vault. Avonlea bentonite is distinguished from Lake Agassiz clay by its high sealing potential in water. A series of experiments was performed in which the two clays were mixed with equal amounts of sand and were compacted to a dry density of 1.67 Mg/m[sup 3] under various moisture contents and temperatures. A psychrometer was placed withinmore » the compacted clay-sand to measure the soil water potential based on the electromotive force measured by the psychrometer. The results indicate that the soil water potential at a particular temperature is higher for both clay-sand mixtures than predicted by the change in the surface tension of water; this effect is much more prominent in the Avonlea bentonite and at low moisture contents. The paper presents empirical equations relating the soil water potential with the moisture content and temperature of the two clay-sand mixtures. 24 refs., 8 figs., 2 tabs.« less

Topics in QCD at Nonzero Temperature and Density

NASA Astrophysics Data System (ADS)

Pangeni, Kamal

Understanding the behavior of matter at ultra-high density such as neutron stars require the knowledge of ground state properties of Quantum chromodynamics (QCD) at finite chemical potential. However, this task has turned out to be very difficult because of two main reasons: 1) QCD may still be strongly coupled at those regimes making perturbative calculations unreliable and 2) QCD at finite density suffers from the sign problem that makes the use of lattice simulation problematic and it even affects phenomenological models. In the first part of this thesis, we show that the sign problem in analytical calculations of finite density models can be solved by considering the CK-symmetric, where C is charge conjugation and K is complex conjugation, complex saddle points of the effective action. We then explore the properties and consequences of such complex saddle points at non-zero temperature and density. Due to CK symmetry, the mass matrix eigenvalues in these models are not always real but can be complex, which results in damped oscillation of the density-density correlation function, a new feature of finite density models. To address the generality of such behavior, we next consider a lattice model of QCD with static quarks at strong-coupling. Computation of the mass spectrum confirms the existence of complex eigenvalues in much of temperature-chemical potential plane. This provides an independent confirmation of our results obtained using phenomenological models of QCD. The existence of regions in parameter space where density-density correlation function exhibit damped oscillation is one of the hallmarks of typical liquid-gas system. The formalism developed to tackle the sign problem in QCD models actually gives a simple understanding for the existence of such behavior in liquid-gas system. To this end, we develop a generic field theoretic model for the treatment of liquid-gas phase transition. An effective field theory at finite density derived from a fundamental four dimensional field theory turns out to be complex but CK symmetric. The existence of CK symmetry results in complex mass eigenvalues, which in turn leads to damped oscillatory behavior of the density-density correlation function. In the last part of this thesis, we study the effect of large amplitude density oscillations on the transport properties of superfluid nuclear matter. In nuclear matter at neutron-star densities and temperature, Cooper pairing leads to the formations of a gap in the nucleon excitation spectra resulting in exponentially strong Boltzmann suppression of many transport coefficients. Previous calculations have shown evidence that density oscillations of sufficiently large amplitude can overcome this suppression for flavor-changing beta processes via the mechanism of "gap-bridging". We address the simplifications made in that initial work, and show that gap bridging can counteract Boltzmann suppression of neutrino emissivity for the realistic case of modified Urca processes in matter with 3 P2 neutron pairing.

Density-functional theory computer simulations of CZTS0.25Se0.75 alloy phase diagrams

NASA Astrophysics Data System (ADS)

Chagarov, E.; Sardashti, K.; Haight, R.; Mitzi, D. B.; Kummel, A. C.

2016-08-01

Density-functional theory simulations of CZTS, CZTSe, and CZTS0.25Se0.75 photovoltaic compounds have been performed to investigate the stability of the CZTS0.25Se0.75 alloy vs. decomposition into CZTS, CZTSe, and other secondary compounds. The Gibbs energy for vibrational contributions was estimated by calculating phonon spectra and thermodynamic properties at finite temperatures. It was demonstrated that the CZTS0.25Se0.75 alloy is stabilized not by enthalpy of formation but primarily by the mixing contributions to the Gibbs energy. The Gibbs energy gains/losses for several decomposition reactions were calculated as a function of temperature with/without intermixing and vibration contributions to the Gibbs energy. A set of phase diagrams was built in the multidimensional space of chemical potentials at 300 K and 900 K temperatures to demonstrate alloy stability and boundary compounds at various chemical conditions. It demonstrated for CZTS0.25Se0.75 that the chemical potentials for stability differ between typical processing temperature (˜900 K) and operating temperature (300 K). This implies that as cooling progresses, the flux/concentration of S should be increased in MBE growth to maintain the CZTS0.25Se0.75 in a thermodynamically stable state to minimize phase decomposition.

Summer temperature variation and implications for juvenile Atlantic salmon

USGS Publications Warehouse

Mather, M. E.; Parrish, D.L.; Campbell, C.A.; McMenemy, J.R.; Smith, Joseph M.

2008-01-01

Temperature is important to fish in determining their geographic distribution. For cool- and cold-water fish, thermal regimes are especially critical at the southern end of a species' range. Although temperature is an easy variable to measure, biological interpretation is difficult. Thus, how to determine what temperatures are meaningful to fish in the field is a challenge. Herein, we used the Connecticut River as a model system and Atlantic salmon (Salmo salar) as a model species with which to assess the effects of summer temperatures on the density of age 0 parr. Specifically, we asked: (1) What are the spatial and temporal temperature patterns in the Connecticut River during summer? (2) What metrics might detect effects of high temperatures? and (3) How is temperature variability related to density of Atlantic salmon during their first summer? Although the most southern site was the warmest, some northern sites were also warm, and some southern sites were moderately cool. This suggests localized, within basin variation in temperature. Daily and hourly means showed extreme values not apparent in the seasonal means. We observed significant relationships between age 0 parr density and days at potentially stressful, warm temperatures (???23??C). Based on these results, we propose that useful field reference points need to incorporate the synergistic effect of other stressors that fish encounter in the field as well as the complexity associated with cycling temperatures and thermal refuges. Understanding the effects of temperature may aid conservation efforts for Atlantic salmon in the Connecticut River and other North Atlantic systems. ?? 2008 Springer Science+Business Media B.V.

Temperature dependent surface modification of molybdenum due to low energy He+ ion irradiation

NASA Astrophysics Data System (ADS)

Tripathi, J. K.; Novakowski, T. J.; Joseph, G.; Linke, J.; Hassanein, A.

2015-09-01

In this paper, we report on the temperature dependent surface modifications in molybdenum (Mo) samples due to 100 eV He+ ion irradiation in extreme conditions as a potential candidate to plasma-facing components in fusion devices alternative to tungsten. The Mo samples were irradiated at normal incidence, using an ion fluence of 2.6 × 1024 ions m-2 (with a flux of 7.2 × 1020 ions m-2 s-1). Surface modifications have been studied using high-resolution field emission scanning electron-(SEM) and atomic force (AFM) microscopy. At 773 K target temperature homogeneous evolution of molybdenum nanograins on the entire Mo surface were observed. However, at 823 K target temperature appearance of nano-pores and pin-holes nearby the grain boundaries, and Mo fuzz in patches were observed. The fuzz density increases significantly with target temperatures and continued until 973 K. However, at target temperatures beyond 973 K, counterintuitively, a sequential reduction in the fuzz density has been seen till 1073 K temperatures. At 1173 K and above temperatures, only molybdenum nano structures were observed. Our temperature dependent studies confirm a clear temperature widow, 823-1073 K, for Mo fuzz formation. Ex-situ high resolution X-ray photoelectron spectroscopy studies on Mo fuzzy samples show the evidence of MoO3 3d doublets. This elucidates that almost all the Mo fuzz were oxidized during open air exposure and are thick enough as well. Likewise the microscopy studies, the optical reflectivity measurements also show a sequential reduction in the reflectivity values (i.e., enhancement in the fuzz density) up to 973 K and after then a sequential enhancement in the reflectivity values (i.e., reduction in the fuzz density) with target temperatures. This is in well agreement with microscopy studies where we observed clear temperature window for Mo fuzz growth.

Temperature and number density measurements using Raman scattering in turbulent-supersonic-combusting flows

NASA Astrophysics Data System (ADS)

Jeyashekar, Nigil Satish

Scramjet engines propelled at hypersonic velocities have the potential to replace existing rocket launchers. Commercializing the vehicle is an arduous task, owing to issues relating to low combustion efficiency. The performance, thrust, and speed of the engine can be improved by optimizing: turbulence-chemistry interaction to provide mixing conditions favorable for the chemistry, pressure buildup, and re-circulation of hydrogen throughout the engine. The performance of the engine can be measured, flow and chemical dynamics can be evaluated when all three variables in the transport equations are known. The variables are instantaneous flow velocity, static temperature (refers to the macroscopic temperature and not the molecular species temperature), and total number density at a point in the flow. The motive is to build a non-intrusive tool to measure thermodynamic quantities (static temperature and total number density). This can be integrated with a velocity measurement tool, in the future, to obtain all three variables simultaneously and instantaneously. The dissertation describes in detail the motivation for the proposed work, with introduction to the formalism involved, with a concise literature review, followed by mathematical perspective to obtain the working equations for temperature and number density. The design of the adiabatic burner and the experimental setup used for calibration is discussed with the uncertainty involved in measurements. The measurements are made for a certain set of flow conditions in the laminar burner by Raman scattering and is validated by comparing it to the theoretical/adiabatic flame temperature and mole fraction plots, in lean and rich regime. This technique is applied to turbulent, supersonic, hydrogen-air flame of an afterburning rocket nozzle. The statistics of temperature and total number density versus the corresponding values at adiabatic conditions gives the departure from thermal and chemical equilibrium. The extent of mixing and combustion can be concluded from such statistics. The future work will involve experimental modifications to make line and planar measurements in combusting jets.

Comparative study of DPAL and XPAL systems and selection principal of parameters

NASA Astrophysics Data System (ADS)

Huang, Wei; Tan, Rongqing; Li, Zhiyong; Han, Gaoce; Li, Hui

2016-10-01

A theoretical model based on common pump structure is proposed to analyze the laser output characteristics of DPAL (Diode pumped alkali vapor laser) and XPAL (Exciplex pumped alkali laser) in this paper. The model predicts that an optical-to-optical efficiency approaching 80% can be achieved for continuous-wave four- and five-XPAL systems with broadband pumping which is several times of pumped linewidth for DPAL. Operation parameters including pumped intensity, temperature, cell' s length, mixed gas concentration, pumped linewidth and output mirror reflectivity are analyzed for DPAL and XPAL systems basing on the kinetic model. The result shows a better performance in Cs-Ar XPAL laser with requirements of relatively high Ar concentration, high pumped intensity and high temperature. Comparatively, for Cs-DPAL laser, lower temperature and lower pumped intensity should be acquired. In addition, the predictions of selection principal of temperature and cell's length are also presented. The conception of the equivalent "alkali areal density" is proposed in this paper. It is defined as the product of the alkali density and cell's length. The result shows that the output characteristics of DPAL (or XPAL) system with the same alkali areal density but different temperatures turn out to be equal. It is the areal density that reflects the potential of DPAL or XPAL systems directly. A more detailed analysis of similar influences of cavity parameters with the same areal density is also presented. The detailed results of continuous-wave DPAL and XPAL performances as a function of pumped laser linewidth and mixed gas pressure are presented along with an analysis of influences of output coupler.

Transport through correlated systems with density functional theory

NASA Astrophysics Data System (ADS)

Kurth, S.; Stefanucci, G.

2017-10-01

We present recent advances in density functional theory (DFT) for applications in the field of quantum transport, with particular emphasis on transport through strongly correlated systems. We review the foundations of the popular Landauer-Büttiker(LB)  +  DFT approach. This formalism, when using approximations to the exchange-correlation (xc) potential with steps at integer occupation, correctly captures the Kondo plateau in the zero bias conductance at zero temperature but completely fails to capture the transition to the Coulomb blockade (CB) regime as the temperature increases. To overcome the limitations of LB  +  DFT, the quantum transport problem is treated from a time-dependent (TD) perspective using TDDFT, an exact framework to deal with nonequilibrium situations. The steady-state limit of TDDFT shows that in addition to an xc potential in the junction, there also exists an xc correction to the applied bias. Open shell molecules in the CB regime provide the most striking examples of the importance of the xc bias correction. Using the Anderson model as guidance we estimate these corrections in the limit of zero bias. For the general case we put forward a steady-state DFT which is based on one-to-one correspondence between the pair of basic variables, steady density on and steady current across the junction and the pair local potential on and bias across the junction. Like TDDFT, this framework also leads to both an xc potential in the junction and an xc correction to the bias. Unlike TDDFT, these potentials are independent of history. We highlight the universal features of both xc potential and xc bias corrections for junctions in the CB regime and provide an accurate parametrization for the Anderson model at arbitrary temperatures and interaction strengths, thus providing a unified DFT description for both Kondo and CB regimes and the transition between them.

First-principles study of the structural, electronic and thermal properties of CaLiF3

NASA Astrophysics Data System (ADS)

Chouit, N.; Amara Korba, S.; Slimani, M.; Meradji, H.; Ghemid, S.; Khenata, R.

2013-09-01

Density functional theory calculations have been performed to study the structural, electronic and optical properties of CaLiF3 cubic fluoroperovskite. Our calculations were carried out by means of the full-potential linearized augmented plane-wave method. The exchange-correlation potential is treated by the local density approximation and the generalized gradient approximation (GGA) (Perdew, Burke and Ernzerhof). Moreover, the alternative form of GGA proposed by Engel and Vosko is also used for band structure calculations. The calculated total energy versus volume allows us to obtain structural properties such as the lattice constant (a0), bulk modulus (B0) and pressure derivative of the bulk modulus (B'0 ). Band structure, density of states and band gap pressure coefficients are also given. Our calculations show that CaLiF3 has an indirect band gap (R-Γ). Following the quasi-harmonic Debye model, in which the phononic effects are considered, the temperature and pressure effects on the lattice constant, bulk modulus, thermal expansion coefficient, Debye temperature and heat capacities are calculated.

In-Situ F2-Region Plasma Density and Temperature Measurements from the International Space Station

NASA Technical Reports Server (NTRS)

Coffey, Victoria; Wright, Kenneth; Minow, Joseph

2008-01-01

The International Space Station orbit provides an ideal platform for in-situ studies of space weather effects on the mid and low latitude F-2 region ionosphere. The Floating Potential Measurement Unit (FPMU) operating on the ISS since Aug 2006. is a suite of plasma instruments: a Floating Potential Probe (FPP), a Plasma Impedance Probe (PIP), a Wide-sweep langmuir Probe (WLP), and a Narrow-sweep Langmuir Probe (NLP). This instrument package provides a new opportunity lor collaborative multi-instrument studies of the F-region ionosphere during both quiet and disturbed periods. This presentation first describes the operational parameters for each of the FPMU probes and shOWS examples of an intra-instrument validation. We then show comparisons with the plasma density and temperature measurements derived from the TIMED GUVI ultraviolet imager, the Millstone Hill ground based incoherent scatter radar, and DIAS digisondes, Finally we show one of several observations of night-time equatorial density holes demonstrating the capabilities of the probes lor monitoring mid and low latitude plasma processes.

Effects of surface chemistry and microstructure of electrolyte on oxygen reduction kinetics of solid oxide fuel cells

DOE PAGES

Park, Joong Sun; An, Jihwan; Lee, Min Hwan; ...

2015-11-01

In this study, we report systematic investigation of the surface properties of yttria-stabilized zirconia (YSZ) electrolytes with the control of the grain boundary (GB) density at the surface, and its effects on electrochemical activities. The GB density of thin surface layers deposited on single crystal YSZ substrates is controlled by changing the annealing temperature (750-1450 °C). Higher oxygen reduction reactions (ORR) kinetics is observed in samples annealed at lower temperatures. The higher ORR activity is ascribed to the higher GB density at the YSZ surface where 'mobile' oxide ion vacancies are more populated. Meanwhile, oxide ion vacancies concurrently created withmore » yttrium segregation at the surface at the higher annealing temperature are considered inactive to oxygen incorporation reactions. Our results provide additional insight into the interplay between the surface chemistry, microstructures, and electrochemical activity. They potentially provide important guidelines for engineering the electrolyte electrode interfaces of solid oxide fuel cells for higher electrochemical performance.« less

Anharmonic Thermal Oscillations of the Electron Momentum Distribution in Lithium Fluoride

NASA Astrophysics Data System (ADS)

Erba, A.; Maul, J.; Itou, M.; Dovesi, R.; Sakurai, Y.

2015-09-01

Anharmonic thermal effects on the electron momentum distribution of a lithium fluoride single crystal are experimentally measured through high-resolution Compton scattering and theoretically modeled with ab initio simulations, beyond the harmonic approximation to the lattice potential, explicitly accounting for thermal expansion. Directional Compton profiles are measured at two different temperatures, 10 and 300 K, with a high momentum space resolution (0.10 a.u. in full width at half maximum), using synchrotron radiation. The effect of temperature on measured directional Compton profiles is clearly revealed by oscillations extending almost up to |p |=4 a .u . , which perfectly match those predicted from quantum-mechanical simulations. The wave-function-based Hartree-Fock method and three classes of the Kohn-Sham density functional theory (local-density, generalized-gradient, and hybrid approximations) are adopted. The lattice thermal expansion, as described with the quasiharmonic approach, is found to entirely account for the effect of temperature on the electron momentum density within the experimental accuracy.

Low-temperature charged impurity scattering-limited conductivity in relatively high doped bilayer graphene

NASA Astrophysics Data System (ADS)

Hu, Bo

2015-08-01

Based on semiclassical Boltzamnn transport theory in random phase approximation, we develop a theoretical model to investigate low-temperature carrier transport properties in relatively high doped bilayer graphene. In the presence of both electron-hole puddles and band gap induced by charged impurities, we calculate low-temperature charged impurity scattering-limited conductivity in relatively high doped bilayer graphene. Our calculated conductivity results are in excellent agreement with published experimental data in all compensated gate voltage regime of study by using potential fluctuation parameter as only one free fitting parameter, indicating that both electron-hole puddles and band gap induced by charged impurities play an important role in carrier transport. More importantly, we also find that the conductivity not only depends strongly on the total charged impurity density, but also on the top layer charged impurity density, which is different from that obtained by neglecting the opening of band gap, especially for bilayer graphene with high top layer charged impurity density.

Sphericalization of the potential of interaction of anisotropic molecules with spherical particles

NASA Astrophysics Data System (ADS)

Fernández-Prini, R.; Japas, María L.

1986-09-01

The possibility of employing sphericalized intermolecular potentials to describe the interactions between nonpolar anisotropic molecules (CCl4 and benzene) with spherical nonpolar molecules (Ar, Xe, and CH4) has been tested for binary systems having liquid- and gas-like densities. Median and RAM sphericalization procedures have been used and their capacity to account for the experimental values of cross second virial coefficients and Henry's constants are compared. It is shown that the median sphericalized potentials, which are temperature and density independent, give a fairly good description of the data which is better than that provided by RAM potentials. The possibility of accounting correctly for the change of properties when the relative size of the interacting partners changes (e.g., conformal systems) is noteworthy.

EMBEDDED LENSING TIME DELAYS, THE FERMAT POTENTIAL, AND THE INTEGRATED SACHS–WOLFE EFFECT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Bin; Kantowski, Ronald; Dai, Xinyu, E-mail: bchen3@fsu.edu

2015-05-01

We derive the Fermat potential for a spherically symmetric lens embedded in a Friedman–Lemaître–Robertson–Walker cosmology and use it to investigate the late-time integrated Sachs–Wolfe (ISW) effect, i.e., secondary temperature fluctuations in the cosmic microwave background (CMB) caused by individual large-scale clusters and voids. We present a simple analytical expression for the temperature fluctuation in the CMB across such a lens as a derivative of the lens’ Fermat potential. This formalism is applicable to both linear and nonlinear density evolution scenarios, to arbitrarily large density contrasts, and to all open and closed background cosmologies. It is much simpler to use andmore » makes the same predictions as conventional approaches. In this approach the total temperature fluctuation can be split into a time-delay part and an evolutionary part. Both parts must be included for cosmic structures that evolve and both can be equally important. We present very simple ISW models for cosmic voids and galaxy clusters to illustrate the ease of use of our formalism. We use the Fermat potentials of simple cosmic void models to compare predicted ISW effects with those recently extracted from WMAP and Planck data by stacking large cosmic voids using the aperture photometry method. If voids in the local universe with large density contrasts are no longer evolving we find that the time delay contribution alone predicts values consistent with the measurements. However, we find that for voids still evolving linearly, the evolutionary contribution cancels a significant part of the time delay contribution and results in predicted signals that are much smaller than recently observed.« less

Studies of nuclei under the extreme conditions of density, temperature, isospin asymmetry and the phase diagram of hadronic matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mekjian, Aram

2016-10-18

The main emphasis of the entire project is on issues having to do with medium energy and ultra-relativistic energy and heavy ion collisions. A major goal of both theory and experiment is to study properties of hot dense nuclear matter under various extreme conditions and to map out the phase diagram in density or chemical potential and temperature. My studies in medium energy nuclear collisions focused on the liquid-gas phase transition and cluster yields from such transitions. Here I developed both the statistical model of nuclear multi-fragmentation and also a mean field theory.

Low-density, high-strength intermetallic matrix composites by XD (trademark) synthesis

NASA Technical Reports Server (NTRS)

Kumar, K. S.; Dipietro, M. S.; Brown, S. A.; Whittenberger, J. D.

1991-01-01

A feasibility study was conducted to evaluate the potential of particulate composites based on low-density, L1(sub 2) trialuminide matrices for high-temperature applications. The compounds evaluated included Al22Fe3Ti8 (as a multiphase matrix), Al67Ti25Cr8, and Al66Ti25Mn9. The reinforcement consisted of TiB2 particulates. The TiB2 composites were processed by ingot and powder metallurgy techniques. Microstructural characterization and mechanical testing were performed in the hot-pressed and hot-isostatic-pressed condition. The casting were sectioned and isothermally forged into pancakes. All the materials were tested in compression as a function of temperature, and at high temperatures as a function of strain rate. The test results are discussed.

The use of salinity contrast for density difference compensation to improve the thermal recovery efficiency in high-temperature aquifer thermal energy storage systems

NASA Astrophysics Data System (ADS)

van Lopik, Jan H.; Hartog, Niels; Zaadnoordijk, Willem Jan

2016-08-01

The efficiency of heat recovery in high-temperature (>60 °C) aquifer thermal energy storage (HT-ATES) systems is limited due to the buoyancy of the injected hot water. This study investigates the potential to improve the efficiency through compensation of the density difference by increased salinity of the injected hot water for a single injection-recovery well scheme. The proposed method was tested through numerical modeling with SEAWATv4, considering seasonal HT-ATES with four consecutive injection-storage-recovery cycles. Recovery efficiencies for the consecutive cycles were investigated for six cases with three simulated scenarios: (a) regular HT-ATES, (b) HT-ATES with density difference compensation using saline water, and (c) theoretical regular HT-ATES without free thermal convection. For the reference case, in which 80 °C water was injected into a high-permeability aquifer, regular HT-ATES had an efficiency of 0.40 after four consecutive recovery cycles. The density difference compensation method resulted in an efficiency of 0.69, approximating the theoretical case (0.76). Sensitivity analysis showed that the net efficiency increase by using the density difference compensation method instead of regular HT-ATES is greater for higher aquifer hydraulic conductivity, larger temperature difference between injection water and ambient groundwater, smaller injection volume, and larger aquifer thickness. This means that density difference compensation allows the application of HT-ATES in thicker, more permeable aquifers and with larger temperatures than would be considered for regular HT-ATES systems.

Micropropulsion devices based on molecular acceleration by pulsed optical lattices

NASA Astrophysics Data System (ADS)

Shneider, Mikhail N.; Gimelshein, Sergey F.; Barker, Peter F.

2006-03-01

The ability of a traveling periodic optical potential to increase the thrust and specific impulse of microthrusters is investigated. Two flow regimes, high density and low density, are considered. The thrust from a micronozzle, with a stagnation pressure of 1 atm and temperature of 300 K, can be increased by more than an order of magnitude. These conditions can be achieved for a constant velocity lattice, produced by two near counterpropagating optical fields that are focused into the nozzle throat. A propulsion system that operates in low-density regime and is driven by molecules trapped by an accelerating optical lattice is proposed. It is shown that such a system has a potential to achieve a specific impulse of thousands of seconds.

The potential effects of pre-settlement processes on post-settlement growth and survival of juvenile northern rock sole (Lepidopsetta polyxystra) in Gulf of Alaska nursery habitats

NASA Astrophysics Data System (ADS)

Fedewa, Erin J.; Miller, Jessica A.; Hurst, Thomas P.; Jiang, Duo

2017-04-01

Early life history traits in marine fish such as growth, size, and timing of life history transitions often vary in response to environmental conditions. Identifying the potential effects of trait variation across life history stages is critical to understanding growth, recruitment, and survival. Juvenile northern rock sole (Lepidopsetta polyxystra) were collected (2005, 2007, 2009-2011) from two coastal nurseries in the Gulf of Alaska during the early post-settlement period (July-August) to examine variation in early life history traits in relation to water temperature and juvenile densities in nurseries as well as to evaluate the potential for carry-over effects. Size-at-hatch, larval growth, metamorphosis size and timing, and post-metamorphic and recent growth of juveniles were quantified using otolith structural analysis and compared across years and sites. Additionally, traits of fish caught in July and August were compared for evidence of selective mortality. Post-metamorphic and recent growth were related to temperatures in nurseries as well as temperatures during the larval period, indicating a direct influence of concurrent nursery temperatures and a potential indirect effect of thermal conditions experienced by larvae. Correlations between metamorphic traits and fish size at capture demonstrated that interannual variation in size persisted across life history stages regardless of post-settlement growth patterns. No evidence of density-dependent growth or growth-selective mortality were detected during the early post-settlement period; however, differences in hatch size and metamorphosis timing between fish collected in July and August indicate a selective loss of individuals although the pattern varied across years. Overall, variation in size acquired early in life and temperature effects on the phenology of metamorphosis may influence the direction of selection and survival of northern rock sole.

First ground-based observations of mesopause temperatures above the Eastern-Mediterranean Part II: OH*-climatology and gravity wave activity

NASA Astrophysics Data System (ADS)

Wüst, Sabine; Schmidt, Carsten; Bittner, Michael; Silber, Israel; Price, Colin; Yee, Jeng-Hwa; Mlynczak, Martin G.; Russell, James M.

2017-03-01

In this study, we present an analysis of approximately four years of nightly temperature data, acquired with the OH-spectrometer GRIPS 10 (GRound based Infrared P-branch Spectrometer), which was installed in Tel Aviv (32.11°N, 34.8°E), Israel in November 2011 for routine measurements. As our instrument does not give any height information, we use TIMED-SABER data in order to answer the question concerning the height region our measurement technique exactly addresses. For the first time, we estimate the density of wave potential energy for periods between some minutes and some hours for this station. These values are typical for gravity waves. Since GRIPS measurements do not currently provide vertically resolved data, the Brunt-Väisälä frequency, which is needed for the estimation of potential energy density, is calculated using TIMED-SABER measurements. The monthly mean density of wave potential energy is presented for periods shorter and longer than 60 min. For the winter months (November, December, and January), the data base allows the calculation of a seasonal mean for the different years. This publication is the companion paper to Silber et al. (2016). Here, we focus on oscillations with shorter periods.

Pair potentials for warm dense matter and their application to x-ray Thomson scattering in aluminum and beryllium.

PubMed

Harbour, L; Dharma-Wardana, M W C; Klug, D D; Lewis, L J

2016-11-01

Ultrafast laser experiments yield increasingly reliable data on warm dense matter, but their interpretation requires theoretical models. We employ an efficient density functional neutral-pseudoatom hypernetted-chain (NPA-HNC) model with accuracy comparable to ab initio simulations and which provides first-principles pseudopotentials and pair potentials for warm-dense matter. It avoids the use of (i) ad hoc core-repulsion models and (ii) "Yukawa screening" and (iii) need not assume ion-electron thermal equilibrium. Computations of the x-ray Thomson scattering (XRTS) spectra of aluminum and beryllium are compared with recent experiments and with density-functional-theory molecular-dynamics (DFT-MD) simulations. The NPA-HNC structure factors, compressibilities, phonons, and conductivities agree closely with DFT-MD results, while Yukawa screening gives misleading results. The analysis of the XRTS data for two of the experiments, using two-temperature quasi-equilibrium models, is supported by calculations of their temperature relaxation times.

Chemical potentials and thermodynamic characteristics of ideal Bose- and Fermi-gases in the region of quantum degeneracy

NASA Astrophysics Data System (ADS)

Sotnikov, A. G.; Sereda, K. V.; Slyusarenko, Yu. V.

2017-01-01

Calculations of chemical potentials for ideal monatomic gases with Bose-Einstein and Fermi-Dirac statistics as functions of temperature, across the temperature region that is typical for the collective quantum degeneracy effect, are presented. Numerical calculations are performed without any additional approximations, and explicit dependences of the chemical potentials on temperature are constructed at a fixed density of gas particles. Approximate polynomial dependences of chemical potentials on temperature are obtained that allow for the results to be used in further studies without re-applying the involved numerical methods. The ease of using the obtained representations is demonstrated on examples of deformation of distribution for a population of energy states at low temperatures, and on the impact of quantum statistics (exchange interaction) on the equations of state for ideal gases and some of the thermodynamic properties thereof. The results of this study essentially unify two opposite limiting cases in an intermediate region that are used to describe the equilibrium states of ideal gases, which are well known from university courses on statistical physics, thus adding value from an educational point of view.

Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meng, Qingping; Wu, Lijun; Welch, David O.

2015-06-17

We studied the lattice vibrations of two inter-penetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential, using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. In addition, as the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of themore » FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a non-zero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a “devil's staircase” behavior at a finite temperature.« less

Electron density and electron temperature measurement in a bi-Maxwellian electron distribution using a derivative method of Langmuir probes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choi, Ikjin; Chung, ChinWook; Youn Moon, Se

2013-08-15

In plasma diagnostics with a single Langmuir probe, the electron temperature T{sub e} is usually obtained from the slope of the logarithm of the electron current or from the electron energy probability functions of current (I)-voltage (V) curve. Recently, Chen [F. F. Chen, Phys. Plasmas 8, 3029 (2001)] suggested a derivative analysis method to obtain T{sub e} by the ratio between the probe current and the derivative of the probe current at a plasma potential where the ion current becomes zero. Based on this method, electron temperatures and electron densities were measured and compared with those from the electron energymore » distribution function (EEDF) measurement in Maxwellian and bi-Maxwellian electron distribution conditions. In a bi-Maxwellian electron distribution, we found the electron temperature T{sub e} obtained from the method is always lower than the effective temperatures T{sub eff} derived from EEDFs. The theoretical analysis for this is presented.« less

Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Banerjee, Atreyee; Nandi, Manoj Kumar; Bhattacharyya, Sarika Maitra, E-mail: mb.sarika@ncl.res.in

2016-07-21

In this paper, we present a study of supercooled liquids interacting with the Lennard Jones potential and the corresponding purely repulsive (Weeks-Chandler-Andersen) potential, over a range of densities and temperatures, in order to understand the origin of their different dynamics in spite of their structures being similar. Using the configurational entropy as the thermodynamic marker via the Adam Gibbs relation, we show that the difference in the dynamics of these two systems at low temperatures can be explained from thermodynamics. At higher densities both the thermodynamical and dynamical difference between these model systems decrease, which is quantitatively demonstrated in thismore » paper by calculating different parameters. The study also reveals the origin of the difference in pair entropy despite the similarity in the structure. Although the maximum difference in structure is obtained in the partial radial distribution function of the B type of particles, the rdf of AA pairs and AB pairs gives rise to the differences in the entropy and dynamics. This work supports the observation made in an earlier study [A. Banerjee et al., Phys. Rev. Lett. 113, 225701 (2014)] and shows that they are generic in nature, independent of density.« less

Investigation of the effect of scattering centers on low dimensional nanowire channel

NASA Astrophysics Data System (ADS)

Cariappa, K. S.; Shukla, Raja; Sarkar, Niladri

2018-05-01

In this work, we studied the effect of scattering centers on the electron density profiles of a one dimensional Nanowire channel. Density Matrix Formalism is used for calculating the local electron densities at room temperature. Various scattering centers have been simulated in the channel. The nearest neighbor tight binding method is applied to construct the Hamiltonian of nanoscale devices. We invoke scattering centers by adding local scattering potentials to the Hamiltonian. This analysis could give an insight into the understanding and utilization of defects for device engineering.

Cold and warm electrons at comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Eriksson, A. I.; Engelhardt, I. A. D.; André, M.; Boström, R.; Edberg, N. J. T.; Johansson, F. L.; Odelstad, E.; Vigren, E.; Wahlund, J.-E.; Henri, P.; Lebreton, J.-P.; Miloch, W. J.; Paulsson, J. J. P.; Simon Wedlund, C.; Yang, L.; Karlsson, T.; Jarvinen, R.; Broiles, T.; Mandt, K.; Carr, C. M.; Galand, M.; Nilsson, H.; Norberg, C.

2017-09-01

Context. Strong electron cooling on the neutral gas in cometary comae has been predicted for a long time, but actual measurements of low electron temperature are scarce. Aims: Our aim is to demonstrate the existence of cold electrons in the inner coma of comet 67P/Churyumov-Gerasimenko and show filamentation of this plasma. Methods: In situ measurements of plasma density, electron temperature and spacecraft potential were carried out by the Rosetta Langmuir probe instrument, LAP. We also performed analytical modelling of the expanding two-temperature electron gas. Results: LAP data acquired within a few hundred km from the nucleus are dominated by a warm component with electron temperature typically 5-10 eV at all heliocentric distances covered (1.25 to 3.83 AU). A cold component, with temperature no higher than about 0.1 eV, appears in the data as short (few to few tens of seconds) pulses of high probe current, indicating local enhancement of plasma density as well as a decrease in electron temperature. These pulses first appeared around 3 AU and were seen for longer periods close to perihelion. The general pattern of pulse appearance follows that of neutral gas and plasma density. We have not identified any periods with only cold electrons present. The electron flux to Rosetta was always dominated by higher energies, driving the spacecraft potential to order - 10 V. Conclusions: The warm (5-10 eV) electron population observed throughout the mission is interpreted as electrons retaining the energy they obtained when released in the ionisation process. The sometimes observed cold populations with electron temperatures below 0.1 eV verify collisional cooling in the coma. The cold electrons were only observed together with the warm population. The general appearance of the cold population appears to be consistent with a Haser-like model, implicitly supporting also the coupling of ions to the neutral gas. The expanding cold plasma is unstable, forming filaments that we observe as pulses.

Comparative study of diode-pumped alkali vapor laser and exciplex-pumped alkali laser systems and selection principal of parameters

NASA Astrophysics Data System (ADS)

Huang, Wei; Tan, Rongqing; Li, Zhiyong; Han, Gaoce; Li, Hui

2017-03-01

A theoretical model based on common pump structure is proposed to analyze the output characteristics of a diode-pumped alkali vapor laser (DPAL) and XPAL (exciplex-pumped alkali laser). Cs-DPAL and Cs-Ar XPAL systems are used as examples. The model predicts that an optical-to-optical efficiency approaching 80% can be achieved for continuous-wave four- and five-level XPAL systems with broadband pumping, which is several times the pumped linewidth for DPAL. Operation parameters including pumped intensity, temperature, cell's length, mixed gas concentration, pumped linewidth, and output coupler are analyzed for DPAL and XPAL systems based on the kinetic model. In addition, the predictions of selection principal of temperature and cell's length are also presented. The concept of the equivalent "alkali areal density" is proposed. The result shows that the output characteristics with the same alkali areal density but different temperatures turn out to be equal for either the DPAL or the XPAL system. It is the areal density that reflects the potential of DPAL or XPAL systems directly. A more detailed analysis of similar influences of cavity parameters with the same areal density is also presented.

Systematic Study on the Self-Assembled Hexagonal Au Voids, Nano-Clusters and Nanoparticles on GaN (0001).

PubMed

Pandey, Puran; Sui, Mao; Li, Ming-Yu; Zhang, Quanzhen; Kim, Eun-Soo; Lee, Jihoon

2015-01-01

Au nano-clusters and nanoparticles (NPs) have been widely utilized in various electronic, optoelectronic, and bio-medical applications due to their great potentials. The size, density and configuration of Au NPs play a vital role in the performance of these devices. In this paper, we present a systematic study on the self-assembled hexagonal Au voids, nano-clusters and NPs fabricated on GaN (0001) by the variation of annealing temperature and deposition amount. At relatively low annealing temperatures between 400 and 600°C, the fabrication of hexagonal shaped Au voids and Au nano-clusters are observed and discussed based on the diffusion limited aggregation model. The size and density of voids and nano-clusters can systematically be controlled. The self-assembled Au NPs are fabricated at comparatively high temperatures from 650 to 800°C based on the Volmer-Weber growth model and also the size and density can be tuned accordingly. The results are symmetrically analyzed and discussed in conjunction with the diffusion theory and thermodynamics by utilizing AFM and SEM images, EDS maps and spectra, FFT power spectra, cross-sectional line-profiles and size and density plots.

Numerical and experimental studies of particle flow in a high-pressure boundary-layer wind tunnel

NASA Technical Reports Server (NTRS)

White, B. R.

1984-01-01

The approach was to simulate the surface environment of Venus as closely as practicable and to conduct experiments to determine threshold wind speeds, particle flux, particle velocities, and the characteristics of various aeolian bedforms. The Venus Wind Tunnel (VWT) is described and the experimental procedures that were developed to make the high-pressure wind tunnel measurements are presented. In terrestrial simulations of aeolian activity, it is possible to conduct experiments under pressures and temperatures found in natural environments. Because of the high pressures and temperatures, Venusian simulations are difficult to achieve in this regard. Consequently, extrapolation of results to Venue potentially involves unknown factors. The experimental rationale was developed in the following way: The VWT enables the density of the Venusian atmosphere to be reproduced. Density is the principal atmospheric property for governing saltation threshold, particle flux, and the ballistics of airborne particles (equivalent density maintains dynamic similarity of gas flow). When operated at or near Earth's ambient temperature, VWT achieves Venusian atmospheric density at pressures of about 30 bar, or about one third less than those on Venus, although still maintaining dynamic similarity to Venus.

Systematic Study on the Self-Assembled Hexagonal Au Voids, Nano-Clusters and Nanoparticles on GaN (0001)

PubMed Central

Pandey, Puran; Sui, Mao; Li, Ming-Yu; Zhang, Quanzhen; Kim, Eun-Soo; Lee, Jihoon

2015-01-01

Au nano-clusters and nanoparticles (NPs) have been widely utilized in various electronic, optoelectronic, and bio-medical applications due to their great potentials. The size, density and configuration of Au NPs play a vital role in the performance of these devices. In this paper, we present a systematic study on the self-assembled hexagonal Au voids, nano-clusters and NPs fabricated on GaN (0001) by the variation of annealing temperature and deposition amount. At relatively low annealing temperatures between 400 and 600°C, the fabrication of hexagonal shaped Au voids and Au nano-clusters are observed and discussed based on the diffusion limited aggregation model. The size and density of voids and nano-clusters can systematically be controlled. The self-assembled Au NPs are fabricated at comparatively high temperatures from 650 to 800°C based on the Volmer-Weber growth model and also the size and density can be tuned accordingly. The results are symmetrically analyzed and discussed in conjunction with the diffusion theory and thermodynamics by utilizing AFM and SEM images, EDS maps and spectra, FFT power spectra, cross-sectional line-profiles and size and density plots. PMID:26285135

Systematic investigation of structural, electronic, optical and thermal properties of ternary MoAlB; an ab initio approach

NASA Astrophysics Data System (ADS)

Rajpoot, Priyanka; Rastogi, Anugya; Verma, U. P.

2018-02-01

Structural, electronic, optical and thermal properties of molybdenum aluminum boride (MoAlB) have been analyzed systematically using the full potential linearized augmented plane wave method based on density functional theory at ambient condition as well as high pressure and high temperature. Density of states and band structure calculation reflect the metallic character of MoAlB. In addition to this, the electron charge density calculation reveals the strong covalent bonding, in between ‘B’ atoms as well as ‘Mo’ and ‘B’ atoms. Optical parameters exhibit anisotropic nature and MoAlB become transparent in ultraviolet region for the radiation of energy above 25 eV. The thermal properties were investigated by using the quasi-harmonic Debye model at high temperature and high pressure.

Nucleon properties in the Polyakov quark-meson model

NASA Astrophysics Data System (ADS)

Li, Yingying; Hu, Jinniu; Mao, Hong

2018-05-01

We study the nucleon as a nontopological soliton in a quark medium as well as in a nucleon medium in terms of the Polyakov quark-meson (PQM) model with two flavors at finite temperature and density. The constituent quark masses evolving with the temperature at various baryon chemical potentials are calculated and the equations of motion are solved according to the proper boundary conditions. The PQM model predicts an increasing size of the nucleon and a reduction of the nucleon mass in both hot environment. However, the phase structure is different from each other in quark and nucleon mediums. There is a crossover in the low-density region and a first-order phase transition in the high-density region in quark medium, whereas there exists a crossover characterized by the overlap of the nucleons in nucleon medium.

Evaluating factors driving population densities of mayfly nymphs in Western Lake Erie

USGS Publications Warehouse

Stapanian, Martin A.; Kocovsky, Patrick; Bodamer Scarbro, Betsy L.

2017-01-01

Mayfly (Hexagenia spp.) nymphs have been widely used as indicators of water and substrate quality in lakes. Thermal stratification and the subsequent formation of benthic hypoxia may result in nymph mortality. Our goal was to identify potential associations between recent increases in temperature and eutrophication, which exacerbate hypoxic events in lakes, and mayfly populations in Lake Erie. Nymphs were collected during April–May 1999–2014. We used wind and temperature data to calculate four measures of thermal stratification, which drives hypoxic events, during summers of 1998–2013. Bottom trawl data collected during August 1998–2013 were used to estimate annual biomass of fishes known to be predators of mayfly nymphs. We used Akaike's Information Criterion to identify the best one- and two-predictor regression models of annual population densities (N/m2) of age-1 and age-2 nymphs, in which candidate predictors included the four measures of stratification, predator fish biomass, competition, and population densities of age-2 (for age-1) and age-1 (for age-2) nymphs from the previous year. Densities of both age classes of nymphs declined over the time series. Population densities of age-1 and age-2 nymphs from the previous year best predicted annual population densities of nymphs of both age classes. However, hypoxic conditions (indicated by stratification) and predation both had negative effects on annual population density of mayflies. Compared with predation, hypoxia had an inconsistent effect on annual nymph density. The increases in temperature and eutrophication in Lake Erie, which exacerbate hypoxic events, may have drastic effects on the mayfly populations.

Thermal conductivity behavior of boron carbides

NASA Technical Reports Server (NTRS)

Wood, C.; Zoltan, A.; Emin, D.; Gray, P. E.

1983-01-01

Knowledge of the thermal conductivity of boron carbides is necessary to evaluate its potential for high temperature thermoelectric energy conversion applications. The thermal diffusivity of hot pressed boron carbide B/sub 1-x/C/sub x/ samples as a function of composition, temperature and temperature cycling was measured. These data in concert with density and specific heat data yield the thermal conductivities of these materials. The results in terms of a structural model to explain the electrical transport data and novel mechanisms for thermal conduction are discussed.

Temperature dependency of state of charge inhomogeneities and their equalization in cylindrical lithium-ion cells

NASA Astrophysics Data System (ADS)

Osswald, P. J.; Erhard, S. V.; Rheinfeld, A.; Rieger, B.; Hoster, H. E.; Jossen, A.

2016-10-01

The influence of cell temperature on the current density distribution and accompanying inhomogeneities in state of charge (SOC) during cycling is analyzed in this work. To allow for a detailed insight in the electrochemical behavior of the cell, commercially available 26650 cells were modified to allow for measuring local potentials at four different, nearly equidistant positions along the electrodes. As a follow-up to our previous work investigating local potentials within a cell, we apply this method for studying SOC deviations and their sensitivity to cell temperature. The local potential distribution was studied during constant current discharge operations for various current rates and discharge pulses in order to evoke local inhomogeneities for temperatures ranging from 10 °C to 40 °C. Differences in local potentials were considered for estimating local SOC variations within the electrodes. It could be observed that even low currents such as 0.1C can lead to significant inhomogeneities, whereas a higher cell temperature generally results in more pronounced inhomogeneities. A rapid SOC equilibration can be observed if the variation in the SOC distribution corresponds to a considerable potential difference defined by the open circuit voltage of either the positive or negative electrode. With increasing temperature, accelerated equalization effects can be observed.

Finite Density Condensation and Scattering Data: A Study in ϕ4 Lattice Field Theory

NASA Astrophysics Data System (ADS)

Gattringer, Christof; Giuliani, Mario; Orasch, Oliver

2018-06-01

We study the quantum field theory of a charged ϕ4 field in lattice regularization at finite density and low temperature in 2 and 4 dimensions with the goal of analyzing the connection of condensation phenomena to scattering data in a nonperturbative way. The sign problem of the theory at nonzero chemical potential μ is overcome by using a worldline representation for the Monte Carlo simulation. At low temperature we study the particle number as a function of μ and observe the steps for 1-, 2-, and 3-particle condensation. We determine the corresponding critical values μncrit , n =1 , 2, 3 and analyze their dependence on the spatial extent L of the lattice. Linear combinations of the μncrit give the interaction energies in the 2- and 3-particle sectors and their dependence on L is related to scattering data by Lüscher's formula and its generalizations to three particles. For two dimensions we determine the scattering phase shift and for four dimensions the scattering length. We cross-check our results with a determination of the mass and the 2- and 3-particle energies from conventional 2-, 4-, and 6-point correlators at zero chemical potential. The letter demonstrates that the physics of condensation at finite density and low temperature is closely related to scattering data of a quantum field theory.

New insights on boundary plasma turbulence and the Quasi-Coherent Mode in Alcator C-Mod using a Mirror Langmuir Probe

NASA Astrophysics Data System (ADS)

Labombard, Brian

2013-10-01

A ``Mirror Langmuir Probe'' (MLP) diagnostic has been used to interrogate edge plasma profiles and turbulence in Alcator C-Mod with unprecedented detail, yielding fundamental insights on the Quasi-Coherent Mode (QCM) - a mode that regulates plasma density and impurities in EDA H-modes without ELMs. The MLP employs a fast-switching, self-adapting bias scheme, recording density, electron temperature and plasma potential simultaneously at high bandwidth (~1 MHz) on each of four separate electrodes on a scanning probe. Temporal dynamics are followed in detail; wavenumber-frequency spectra and phase relationships are readily deduced. Poloidal field fluctuations are recorded separately with a two-coil, scanning probe. Results from ohmic L-mode and H-mode plasmas are reported, including key observations of the QCM: The QCM lives in a region of positive radial electric field, with a mode width (~3 mm) that spans open and closed field line regions. Remarkably large amplitude (~30%), sinusoidal bursts in density, electron temperature and plasma potential fluctuations are observed that are in phase; potential lags density by at most 10 degrees. Propagation velocity of the mode corresponds to the sum of local E × B and electron diamagnetic drift velocities - quantities that are deduced directly from time-averaged profiles. Poloidal magnetic field fluctuations project to parallel current densities of ~5 amps/cm2 in the mode layer, with significant parallel electromagnetic induction. Electron force balance is examined, unambiguously identifying the mode type. It is found that fluctuations in parallel electron pressure gradient are roughly balanced by the sum of electrostatic and electromotive forces. Thus the primary mode structure of the QCM is that of a drift-Alfven wave. Work supported by US DoE award DE-FC02-99ER54512.

Plasma stability analysis using Consistent Automatic Kinetic Equilibrium reconstruction (CAKE)

NASA Astrophysics Data System (ADS)

Roelofs, Matthijs; Kolemen, Egemen; Eldon, David; Glasser, Alex; Meneghini, Orso; Smith, Sterling P.

2017-10-01

Presented here is the Consistent Automatic Kinetic Equilibrium (CAKE) code. CAKE is being developed to perform real-time kinetic equilibrium reconstruction, aiming to do a reconstruction in less than 100ms. This is achieved by taking, next to real-time Motional Stark Effect (MSE) and magnetics data, real-time Thomson Scattering (TS) and real-time Charge Exchange Recombination (CER, still in development) data in to account. Electron densities and temperature are determined by TS, while ion density and pressures are determined using CER. These form, together with the temperature and density of neutrals, the additional pressure constraints. Extra current constraints are imposed in the core by the MSE diagnostics. The pedestal current density is estimated using Sauters equation for the bootstrap current density. By comparing the behaviour of the ideal MHD perturbed potential energy (δW) and the linear stability index (Δ') of CAKE to magnetics-only reconstruction, it can be seen that the use of diagnostics to reconstruct the pedestal have a large effect on stability. Supported by U.S. DOE DE-SC0015878 and DE-FC02-04ER54698.

High Energy Density and High Temperature Multilayer Capacitor Films for Electric Vehicle Applications

NASA Astrophysics Data System (ADS)

Treufeld, Imre; Song, Michelle; Zhu, Lei; Baer, Eric; Snyder, Joe; Langhe, Deepak

2015-03-01

Multilayer films (MLFs) with high energy density and high temperature capability (>120 °C) have been developed at Case Western Reserve University. Such films offer a potential solution for electric car DC-link capacitors, where high ripple currents and high temperature tolerance are required. The current state-of-the-art capacitors used in electric cars for converting DC to AC use biaxially oriented polypropylene (BOPP), which can only operate at temperatures up to 85 °C requiring an external cooling system. The polycarbonate (PC)/poly(vinylidene fluoride) (PVDF) MLFs have a higher permittivity compared to that of BOPP (2.3), leading to higher energy density. They have good mechanical stability and reasonably low dielectric losses at 120 °C. Nonetheless, our preliminary dielectric measurements show that the MLFs exhibit appreciable dielectric losses (20%) at 120 °C, which would, despite all the other advantages, make them not suitable for practical applications. Our preliminary data showed that dielectric losses of the MLFs at 120 °C up to 400 MV/m and 1000 Hz originate mostly from impurity ionic conduction. This work is supported by the NSF PFI/BIC Program (IIP-1237708).

Reference Correlation for the Viscosity of Carbon Dioxide

NASA Astrophysics Data System (ADS)

Laesecke, Arno; Muzny, Chris D.

2017-03-01

A comprehensive database of experimental and computed data for the viscosity of carbon dioxide (CO2) was compiled and a new reference correlation was developed. Literature results based on an ab initio potential energy surface were the foundation of the correlation of the viscosity in the limit of zero density in the temperature range from 100 to 2000 K. Guided symbolic regression was employed to obtain a new functional form that extrapolates correctly to 0 and to 10 000 K. Coordinated measurements at low density made it possible to implement the temperature dependence of the Rainwater-Friend theory in the linear-in-density viscosity term. The residual viscosity could be formulated with a scaling term ργ/T, the significance of which was confirmed by symbolic regression. The final viscosity correlation covers temperatures from 100 to 2000 K for gaseous CO2 and from 220 to 700 K with pressures along the melting line up to 8000 MPa for compressed and supercritical liquid states. The data representation is more accurate than with the previous correlations, and the covered pressure and temperature range is significantly extended. The critical enhancement of the viscosity of CO2 is included in the new correlation.

High-temperature superconducting current leads

NASA Astrophysics Data System (ADS)

Hull, J. R.

1992-07-01

The use of high-temperature superconductors (HTSs) for current leads to deliver power to devices at liquid helium temperature is near commercial realization. The use of HTSs in this application has the potential to reduce refrigeration requirements and helium boiloff to values significantly lower than the theoretical best achievable with conventional leads. Considerable advantage is achieved by operating these leads with an intermediate temperature heat sink. The HTS part of the lead can be made from pressed and sintered powder. Powder-in-tube fabrication is also possible, however, the normal metal part of the lead acts as a thermal short and cannot provide much stabilization without increasing the refrigeration required. Lead stability favors designs with low current density. Such leads can be manufactured with today's technology, and lower refrigeration results from the same allowable burnout time. Higher current densities result in lower boiloff for the same lead length, but bumout times can be very short. In comparing experiment to theory, the density of helium vapor needs to be accounted for in calculating the expected boiloff. For very low-loss leads, two-dimensional heat transfer and the state of the dewar near the leads may play a dominant role in lead performance.

Spectroscopy of metal "superatom" nanoclusters and high-Tc superconducting pairing

NASA Astrophysics Data System (ADS)

Halder, Avik; Kresin, Vitaly V.

2015-12-01

A unique property of metal nanoclusters is the "superatom" shell structure of their delocalized electrons. The electronic shell levels are highly degenerate and therefore represent sharp peaks in the density of states. This can enable exceptionally strong electron pairing in certain clusters composed of tens to hundreds of atoms. In a finite system, such as a free nanocluster or a nucleus, pairing is observed most clearly via its effect on the energy spectrum of the constituent fermions. Accordingly, we performed a photoionization spectroscopy study of size-resolved aluminum nanoclusters and observed a rapid rise in the near-threshold density of states of several clusters (A l37 ,44 ,66 ,68 ) with decreasing temperature. The characteristics of this behavior are consistent with compression of the density of states by a pairing transition into a high-temperature superconducting state with Tc≳100 K. This value exceeds that of bulk aluminum by two orders of magnitude. These results highlight the potential of novel pairing effects in size-quantized systems and the possibility to attain even higher critical temperatures by optimizing the particles' size and composition. As a new class of high-temperature superconductors, such metal nanocluster particles are promising building blocks for high-Tc materials, devices, and networks.

Application and Analysis of the Isoelectronic Line Ratio Temperature Diagnostic in a Planar Ablating-Plasma Experiment at the National Ignition Facility

NASA Astrophysics Data System (ADS)

Epstein, R.; Rosenberg, M. J.; Solodov, A. A.; Myatt, J. F.; Regan, S. P.; Seka, W.; Hohenberger, M.; Barrios, M. A.; Moody, J. D.

2015-11-01

The Mn/Co isoelectronic emission-line ratio from a microdot source in planar CH foil targets was measured to infer the electron temperature (Te) in the ablating plasma during two-plasmon-decay experiments at the National Ignition Facility (NIF). We examine the systematic uncertainty in the Te estimate based on the temperature and density sensitivities of the line ratio in conjunction with plausible density constraints, and its contribution to the total Te estimate uncertainty. The potential advantages of alternative microdot elements (e.g., Ti/Cr and Sc/V) are considered. The microdot mass was selected to provide ample line strength while minimizing the effect of self-absorption on the line emission, which is of particular concern, given the narrow linewidths of mid- Z emitters at subcritical electron densities. Atomic line-formation theory and detailed atomic-radiative simulations show that the straight forward interpretation of the isoelectronic ratio solely in terms of its temperature independence remains valid with lines of moderate optical thickness (up to ~ 10) at line center. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.

Effects of molecular elongation on liquid crystalline phase behaviour: isotropic-nematic transition

NASA Astrophysics Data System (ADS)

Singh, Ram Chandra; Ram, Jokhan

2003-08-01

We present the density-functional approach to study the isotropic-nematic transitions and calculate the values of freezing parameters of the Gay-Berne liquid crystal model, concentrating on the effects of varying the molecular elongation, x0. For this, we have solved the Percus-Yevick integral equation theory to calculate the pair-correlation functions of a fluid the molecules of which interact via a Gay-Berne pair potential. These results have been used in the density-functional theory as an input to locate the isotropic-nematic transition and calculate freezing parameters for a range of length-to-width parameters 3.0⩽ x0⩽4.0 at reduced temperatures 0.95 and 1.25. We observed that as x0 is increased, the isotropic-nematic transition is seen to move to lower density at a given temperature. We find that the density-functional theory is good to study the freezing transitions in such fluids. We have also compared our results with computer simulation results wherever they are available.

Onset of two-dimensional superconductivity in space charge doped few-layer molybdenum disulfide

PubMed Central

Biscaras, Johan; Chen, Zhesheng; Paradisi, Andrea; Shukla, Abhay

2015-01-01

Atomically thin films of layered materials such as molybdenum disulfide (MoS2) are of growing interest for the study of phase transitions in two-dimensions through electrostatic doping. Electrostatic doping techniques giving access to high carrier densities are needed to achieve such phase transitions. Here we develop a method of electrostatic doping which allows us to reach a maximum n-doping density of 4 × 1014 cm−2 in few-layer MoS2 on glass substrates. With increasing carrier density we first induce an insulator to metal transition and subsequently an incomplete metal to superconductor transition in MoS2 with critical temperature ≈10 K. Contrary to earlier reports, after the onset of superconductivity, the superconducting transition temperature does not depend on the carrier density. Our doping method and the results we obtain in MoS2 for samples as thin as bilayers indicates the potential of this approach. PMID:26525386

Observation of the effects of stronger magnetic fields on warm, higher energy electrons and ion beams transiting a double layer in a helicon plasma

NASA Astrophysics Data System (ADS)

Scharer, John; Sung, Yung-Ta; Li, Yan

2017-10-01

Fast, two-temperature electrons (>80 eV, Te =13 eV tail, 4 eV bulk) with substantial tail density fractions are created at low (< = 1.7 mtorr) Ar pressure @ 340 G in the antenna region with nozzle mirror ratio of 1.4 on MadHeX @ 900W. These distributions including a fast tail are observed upstream of a double layer. The fast, untrapped tail electrons measured downstream of the double layer have a higher temperature of 13 eV than the trapped, upstream electrons of 4 eV temperature. Upstream plasma potential fluctuations of + - 30 percent are observed. An RF-compensated Langmuir probe is used to measure the electron temperatures and densities and OES, mm wave IF and an RPA for the IEDF are also utilized. As the magnetic field is increased to 1020 G, an increase in the electron temperature and density upstream of the double layer is observed with Te= 15-25 eV with a primarily single temperature mode. Accelerated ion beam energies in the range of 65-120 eV are observed as the magnetic field is increased from 340 to 850 G. The role of the nozzle, plasma double layer and helicon wave coupling on the EEDF and ion acceleration will be discussed. Research supported in part by the University of Wisconsin.

Mid-Latitude Ionospheric Disturbances Due to Geomagnetic Storms at ISS Altitudes

NASA Technical Reports Server (NTRS)

Minow, Joseph I.; Willis, Emily M.; Neergaard Parker, Linda

2014-01-01

Spacecraft charging of the International Space Station (ISS) is dominated by interaction of the US high voltage solar arrays with the F2-region ionosphere plasma environment. ISS solar array charging is enhanced in a high electron density environment due to the increased thermal electron currents to the edges of the solar cells. High electron temperature environments suppress charging due to formation of barrier potentials on the charged solar cell cover glass that restrict the charging currents to the cell edge [Mandell et al., 2003]. Environments responsible for strong solar array charging are therefore characterized by high electron densities and low electron temperatures. In support of the ISS space environmental effects engineering community, we are working to understand a number of features of solar array charging and to determine how well future charging behavior can be predicted from in-situ plasma density and temperature measurements. One aspect of this work is a need to characterize the magnitude of electron density and temperature variations that occur at ISS orbital altitudes (approximately 400 km) over time scales of days, the latitudes over which significant variations occur, and the time periods over which the disturbances persist once they start. This presentation provides examples of mid-latitude electron density and temperature disturbances at altitudes relevant to ISS using data sets and tools developed for our ISS plasma environment study. "Mid-latitude" is defined as the extra-tropical region between approx. 30 degrees to approx. 60 degrees magnetic latitude sampled by ISS over its 51.6 degree inclination orbit. We focus on geomagnetic storm periods because storms are well known drivers for disturbances in the ionospheric plasma environment.

SAMI3_ICON: Model of the Ionosphere/Plasmasphere System

NASA Astrophysics Data System (ADS)

Huba, J. D.; Maute, A.; Crowley, G.

2017-10-01

The NRL ionosphere/plasmasphere model SAMI3 has been modified to support the NASA ICON mission. Specifically, SAMI3_ICON has been modified to import the thermospheric composition, temperature, and winds from TIEGCM-ICON and the high-latitude potential from AMIE data. The codes will be run on a daily basis during the ICON mission to provide ionosphere and thermosphere properties to the science community. SAMI3_ICON will provide ionospheric and plasmaspheric parameters such as the electron and ion densities, temperatures, and velocities, as well as the total electron content (TEC), peak ionospheric electron density (NmF2) and height of the F layer at NmF2 (hmF2).

Improved Confinement by Edge Multi-pulse Turbulent Heating on HT-6M Tokamak

NASA Astrophysics Data System (ADS)

Mao, Jian-shan; Luo, Jia-rong; Li, Jian-gang; Pan, Yuan; Wang, Mao-quan; Liu, Bao-hua; Wan, Yuan-xi; Li, Qiang; Wu, Xin-chao; Liang, Yun-feng; Xu, Yu-hong; Yu, Chang-xuan

1997-10-01

In the recent experiment on HT-6M tokamak, an improved ohmic confinement phase has been observed after application of the edge multi-pulse turbulent heating, and variance of plasma current ΔIp/Ip is about 14-20%. The improved edge plasma confinement phase is characterized by (a) increased average electron density bar Ne and electron temperature Te; (b) reduced Hα radiation from the edge; (c) steeper density and temperature profiles at the edge; (d) a more negative radial electric field over a region of ~ 5 mm deep inside the limiter; (e) a deeper electrostatic potential well at the edge; (f) reduced magnetic fluctuations at the edge.

Nonenzymatic detection of glucose using BaCuO2 thin layer

NASA Astrophysics Data System (ADS)

Ito, Takeshi; Asada, Tsuyoshi; Asai, Naoto; Shimizu, Tomohiro; Shingubara, Shoso

2017-01-01

A BaCuO2 thin layer was deposited on a glassy carbon electrode and used for the direct oxidation of glucose. The crystalline, electrochemical, and physicochemical properties that depend on the deposition temperature and deposition time were studied. X-ray diffraction (XRD) analysis showed that the thin layer was amorphous even at 400 °C. The current density of the glucose oxidation using the thin layer deposited at 200 °C was higher than those at other deposition temperatures. Under this condition, the current density increased with the glucose concentration and deposition time. These results indicate that a BaCuO2 thin layer has potential for measuring the blood glucose level without enzymes.

Density-functional theory computer simulations of CZTS{sub 0.25}Se{sub 0.75} alloy phase diagrams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chagarov, E.; Sardashti, K.; Kummel, A. C.

2016-08-14

Density-functional theory simulations of CZTS, CZTSe, and CZTS{sub 0.25}Se{sub 0.75} photovoltaic compounds have been performed to investigate the stability of the CZTS{sub 0.25}Se{sub 0.75} alloy vs. decomposition into CZTS, CZTSe, and other secondary compounds. The Gibbs energy for vibrational contributions was estimated by calculating phonon spectra and thermodynamic properties at finite temperatures. It was demonstrated that the CZTS{sub 0.25}Se{sub 0.75} alloy is stabilized not by enthalpy of formation but primarily by the mixing contributions to the Gibbs energy. The Gibbs energy gains/losses for several decomposition reactions were calculated as a function of temperature with/without intermixing and vibration contributions to themore » Gibbs energy. A set of phase diagrams was built in the multidimensional space of chemical potentials at 300 K and 900 K temperatures to demonstrate alloy stability and boundary compounds at various chemical conditions. It demonstrated for CZTS{sub 0.25}Se{sub 0.75} that the chemical potentials for stability differ between typical processing temperature (∼900 K) and operating temperature (300 K). This implies that as cooling progresses, the flux/concentration of S should be increased in MBE growth to maintain the CZTS{sub 0.25}Se{sub 0.75} in a thermodynamically stable state to minimize phase decomposition.« less

Statistical mechanics study on wetting behaviors of Ne on Mg surface

NASA Astrophysics Data System (ADS)

Zhou, S.; Zhang, M.

2017-04-01

Wetting behavior of Ne adsorbed on a Mg surface, first investigated by means of a grand canonical Monte Carlo method in a previous publication (M. J. Bojan, G. Stan, S. Curtarolo, W. A. Steele, and M. W. Cole, Phys. Rev. E, 1999, 59, 864), is again studied by means of classical density functional theory. The Ne-Ne interaction is taken to be of the Lennard-Jones form, while the Ne-surface interaction is derived from an electronic density functional theory. The wetting phase diagram is calculated, and the isotherm shapes, energy and structural properties of the adsorbed films are examined. The present calculations indicate that the system exhibits first-order pre-wetting transition at temperatures above a wetting temperature of Tw≈24 K, and below a critical pre-wetting temperature of Tpwc≈25.09 K. The present findings include (i) in the pre-wetting temperature region, the pre-wetting transition is mixed with many layering transitions; after pre-wetting, the film thickness discontinuously increases (due to frequent occurrences of the layering transitions) and eventually diverges as the chemical potential approaches and eventually equals the saturation value. (ii) Occurrence of the layering transition remains above Tpwc, and the increase of the film thickness with the chemical potential is discontinuous. (iii) Below the wetting temperature, the layering transitions frequently occur and tend to gather together more closely as the saturation is approached.

Vapour-liquid interfacial properties of square-well chains from density functional theory and Monte Carlo simulation.

PubMed

Martínez-Ruiz, Francisco José; Blas, Felipe J; Moreno-Ventas Bravo, A Ignacio; Míguez, José Manuel; MacDowell, Luis G

2017-05-17

The statistical associating fluid theory for attractive potentials of variable range (SAFT-VR) density functional theory (DFT) developed by [Gloor et al., J. Chem. Phys., 2004, 121, 12740-12759] is used to predict the interfacial behaviour of molecules modelled as fully-flexible square-well chains formed from tangentially-bonded monomers of diameter σ and potential range λ = 1.5σ. Four different model systems, comprising 4, 8, 12, and 16 monomers per molecule, are considered. In addition to that, we also compute a number of interfacial properties of molecular chains from direct simulation of the vapour-liquid interface. The simulations are performed in the canonical ensemble, and the vapour-liquid interfacial tension is evaluated using the wandering interface (WIM) method, a technique based on the thermodynamic definition of surface tension. Apart from surface tension, we also obtain density profiles, coexistence densities, vapour pressures, and critical temperature and density, paying particular attention to the effect of the chain length on these properties. According to our results, the main effect of increasing the chain length (at fixed temperature) is to sharpen the vapour-liquid interface and to increase the width of the biphasic coexistence region. As a result, the interfacial thickness decreases and the surface tension increases as the molecular chains get longer. The interfacial thickness and surface tension appear to exhibit an asymptotic limiting behaviour for long chains. A similar behaviour is also observed for the coexistence densities and critical properties. Agreement between theory and simulation results indicates that SAFT-VR DFT is only able to predict qualitatively the interfacial properties of the model. Our results are also compared with simulation data taken from the literature, including the vapour-liquid coexistence densities, vapour pressures, and surface tension.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Costigliola, Lorenzo; Schrøder, Thomas B.; Dyre, Jeppe C.

The recent theoretical prediction by Maimbourg and Kurchan [e-print http://arxiv.org/abs/1603.05023 (2016)] that for regular pair-potential systems the virial potential-energy correlation coefficient increases towards unity as the dimension d goes to infinity is investigated for the standard 12-6 Lennard-Jones fluid. This is done by computer simulations for d = 2, 3, 4 going from the critical point along the critical isotherm/isochore to higher density/temperature. In both cases the virial potential-energy correlation coefficient increases significantly. For a given density and temperature relative to the critical point, with increasing number of dimension the Lennard-Jones system conforms better to the hidden-scale-invariance property characterized bymore » high virial potential-energy correlations (a property that leads to the existence of isomorphs in the thermodynamic phase diagram, implying that it becomes effectively one-dimensional in regard to structure and dynamics). The present paper also gives the first numerical demonstration of isomorph invariance of structure and dynamics in four dimensions. Our findings emphasize the need for a universally applicable 1/d expansion in liquid-state theory; we conjecture that the systems known to obey hidden scale invariance in three dimensions are those for which the yet-to-be-developed 1/d expansion converges rapidly.« less

Detection of topological phase transitions through entropy measurements: The case of germanene

NASA Astrophysics Data System (ADS)

Grassano, D.; Pulci, O.; Shubnyi, V. O.; Sharapov, S. G.; Gusynin, V. P.; Kavokin, A. V.; Varlamov, A. A.

2018-05-01

We propose a characterization tool for studies of the band structure of new materials promising for the observation of topological phase transitions. We show that a specific resonant feature in the entropy per electron dependence on the chemical potential may be considered as a fingerprint of the transition between topological and trivial insulator phases. The entropy per electron in a honeycomb two-dimensional crystal of germanene subjected to the external electric field is obtained from the first-principles calculation of the density of electronic states and the Maxwell relation. We demonstrate that, in agreement with the recent prediction of the analytical model, strong spikes in the entropy per particle dependence on the chemical potential appear at low temperatures. They are observed at the values of the applied bias both below and above the critical value that corresponds to the transition between the topological insulator and trivial insulator phases, whereas the giant resonant feature in the vicinity of the zero chemical potential is strongly suppressed at the topological transition point, in the low-temperature limit. In a wide energy range, the van Hove singularities in the electronic density of states manifest themselves as zeros in the entropy per particle dependence on the chemical potential.

Transport properties in mixtures involving carbon dioxide at low and moderate density: test of several intermolecular potential energies and comparison with experiment

NASA Astrophysics Data System (ADS)

Moghadasi, Jalil; Yousefi, Fakhri; Papari, Mohammad Mehdi; Faghihi, Mohammad Ali; Mohsenipour, Ali Asghar

2009-09-01

It is the purpose of this paper to extract unlike intermolecular potential energies of five carbon dioxide-based binary gas mixtures including CO2-He, CO2-Ne, CO2-Ar, CO2-Kr, and CO2-Xe from viscosity data and compare the calculated potentials with other models potential energy reported in literature. Then, dilute transport properties consisting of viscosity, diffusion coefficient, thermal diffusion factor, and thermal conductivity of aforementioned mixtures are calculated from the calculated potential energies and compared with literature data. Rather accurate correlations for the viscosity coefficient of afore-cited mixtures embracing the temperature range 200 K < T < 3273.15 K is reproduced from the present unlike intermolecular potentials energy. Our estimated accuracies for the viscosity are to within ±2%. In addition, the calculated potential energies are used to present smooth correlations for other transport properties. The accuracies of the binary diffusion coefficients are of the order of ±3%. Finally, the unlike interaction energy and the calculated low density viscosity have been employed to calculate high density viscosities using Vesovic-Wakeham method.

Atomic density effects on temperature characteristics and thermal transport at grain boundaries through a proper bin size selection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vo, Truong Quoc; Kim, BoHung, E-mail: muratbarisik@iyte.edu.tr, E-mail: bohungk@ulsan.ac.kr; Barisik, Murat, E-mail: muratbarisik@iyte.edu.tr, E-mail: bohungk@ulsan.ac.kr

2016-05-21

This study focuses on the proper characterization of temperature profiles across grain boundaries (GBs) in order to calculate the correct interfacial thermal resistance (ITR) and reveal the influence of GB geometries onto thermal transport. The solid-solid interfaces resulting from the orientation difference between the (001), (011), and (111) copper surfaces were investigated. Temperature discontinuities were observed at the boundary of grains due to the phonon mismatch, phonon backscattering, and atomic forces between dissimilar structures at the GBs. We observed that the temperature decreases gradually in the GB area rather than a sharp drop at the interface. As a result, threemore » distinct temperature gradients developed at the GB which were different than the one observed in the bulk solid. This behavior extends a couple molecular diameters into both sides of the interface where we defined a thickness at GB based on the measured temperature profiles for characterization. Results showed dependence on the selection of the bin size used to average the temperature data from the molecular dynamics system. The bin size on the order of the crystal layer spacing was found to present an accurate temperature profile through the GB. We further calculated the GB thickness of various cases by using potential energy (PE) distributions which showed agreement with direct measurements from the temperature profile and validated the proper binning. The variation of grain crystal orientation developed different molecular densities which were characterized by the average atomic surface density (ASD) definition. Our results revealed that the ASD is the primary factor affecting the structural disorders and heat transfer at the solid-solid interfaces. Using a system in which the planes are highly close-packed can enhance the probability of interactions and the degree of overlap between vibrational density of states (VDOS) of atoms forming at interfaces, leading to a reduced ITR. Thus, an accurate understanding of thermal characteristics at the GB can be formulated by selecting a proper bin size.« less

Atomic density effects on temperature characteristics and thermal transport at grain boundaries through a proper bin size selection

NASA Astrophysics Data System (ADS)

Vo, Truong Quoc; Barisik, Murat; Kim, BoHung

2016-05-01

This study focuses on the proper characterization of temperature profiles across grain boundaries (GBs) in order to calculate the correct interfacial thermal resistance (ITR) and reveal the influence of GB geometries onto thermal transport. The solid-solid interfaces resulting from the orientation difference between the (001), (011), and (111) copper surfaces were investigated. Temperature discontinuities were observed at the boundary of grains due to the phonon mismatch, phonon backscattering, and atomic forces between dissimilar structures at the GBs. We observed that the temperature decreases gradually in the GB area rather than a sharp drop at the interface. As a result, three distinct temperature gradients developed at the GB which were different than the one observed in the bulk solid. This behavior extends a couple molecular diameters into both sides of the interface where we defined a thickness at GB based on the measured temperature profiles for characterization. Results showed dependence on the selection of the bin size used to average the temperature data from the molecular dynamics system. The bin size on the order of the crystal layer spacing was found to present an accurate temperature profile through the GB. We further calculated the GB thickness of various cases by using potential energy (PE) distributions which showed agreement with direct measurements from the temperature profile and validated the proper binning. The variation of grain crystal orientation developed different molecular densities which were characterized by the average atomic surface density (ASD) definition. Our results revealed that the ASD is the primary factor affecting the structural disorders and heat transfer at the solid-solid interfaces. Using a system in which the planes are highly close-packed can enhance the probability of interactions and the degree of overlap between vibrational density of states (VDOS) of atoms forming at interfaces, leading to a reduced ITR. Thus, an accurate understanding of thermal characteristics at the GB can be formulated by selecting a proper bin size.

Enhancing thermoelectrochemical properties by tethering ferrocene to the anion or cation of ionic liquids: altered thermodynamics and solubility.

PubMed

Aldous, Leigh; Black, Jeffrey J; Elias, Maximo C; Gélinas, Bruno; Rochefort, Dominic

2017-09-13

Entropic changes inherent within a redox process typically result in significant temperature sensitivity. This can be utilised positively or can be a detrimental process. This study has investigated the thermoelectrochemical properties (temperature-dependant electrochemistry) of the ferrocenium|ferrocene redox couple in an ionic liquid, and in particular the effect of covalently tethering this redox couple to fixed positive or negative charges. As such, the ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide was employed to dissolve ferrocene, as well as cationic-tethered ferrocene (the 1-ethyl-3-(methylferrocenyl)imidazolium cation) and anionic-tethered ferrocene (the ferrocenylsulfonyl(trifluoromethylsulfonyl)imide anion). These systems were characterised in terms of their voltammetry (apparent formal potentials, diffusion coefficients and electron transfer rate constants) and thermoelectrochemistry (temperature coefficients of the cell potential or 'Seebeck coefficients', short circuit current densities and power density outputs). The oxidised cationic species behaved like a dicationic species and was thus 6-fold more effective at converting waste thermal energy to electrical power within a thermoelectrochemical cell than unmodified ferrocene. This was almost exclusively due to a significant boost in the Seebeck coefficient of this redox couple. Conversely, the oxidised anionic species was formally a zwitterion, but this zwitterionic species behaved thermodynamically like a neutral species. The inverted entropic change upon going from ferrocene to anion-tethered ferrocene allowed development of a largely temperature-insensitive reference potential based upon a mixture of acetylferrocene and ferricenyl(iii)sulfonyl(trifluoromethylsulfonyl)imide.

Helical variation of density profiles and fluctuations in the tokamak pedestal with applied 3D fields and implications for confinement

DOE PAGES

Wilcox, R. S.; Rhodes, T. L.; Shafer, M. W.; ...

2018-04-19

Smore » mall 3D perturbations to the magnetic field in DIII-D ( δ B / B ~ 2 × 10 - 4 ) result in large modulations of density fluctuation amplitudes in the pedestal, which are shown using Doppler backscattering measurements to vary by a factor of 2. Helical perturbations of equilibrium density within flux surfaces have previously been observed in the pedestal of DIII-D plasmas when 3D fields are applied and were correlated with density fluctuation asymmetries in the pedestal. These intra-surface density and pressure variations are shown through two fluid MHD modeling studies using the M3D-C1 code to be due to the misalignment of the density and temperature equilibrium iso-surfaces in the pedestal region. This modeling demonstrates that the phase shift between the two iso-surfaces corresponds to the diamagnetic direction of the two species, with the mass density surfaces shifted in the ion diamagnetic direction relative to the temperature and magnetic flux iso-surfaces. Finally, the resulting pedestal density, potential, and turbulence asymmetries within flux surfaces near the separatrix may be at least partially responsible for several poorly understood phenomena that occur with the application of 3D fields in tokamaks, including density pump out and the increase in power required to transition from L- to H-mode.« less

Helical variation of density profiles and fluctuations in the tokamak pedestal with applied 3D fields and implications for confinement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilcox, R. S.; Rhodes, T. L.; Shafer, M. W.

Smore » mall 3D perturbations to the magnetic field in DIII-D ( δ B / B ~ 2 × 10 - 4 ) result in large modulations of density fluctuation amplitudes in the pedestal, which are shown using Doppler backscattering measurements to vary by a factor of 2. Helical perturbations of equilibrium density within flux surfaces have previously been observed in the pedestal of DIII-D plasmas when 3D fields are applied and were correlated with density fluctuation asymmetries in the pedestal. These intra-surface density and pressure variations are shown through two fluid MHD modeling studies using the M3D-C1 code to be due to the misalignment of the density and temperature equilibrium iso-surfaces in the pedestal region. This modeling demonstrates that the phase shift between the two iso-surfaces corresponds to the diamagnetic direction of the two species, with the mass density surfaces shifted in the ion diamagnetic direction relative to the temperature and magnetic flux iso-surfaces. Finally, the resulting pedestal density, potential, and turbulence asymmetries within flux surfaces near the separatrix may be at least partially responsible for several poorly understood phenomena that occur with the application of 3D fields in tokamaks, including density pump out and the increase in power required to transition from L- to H-mode.« less

Helical variation of density profiles and fluctuations in the tokamak pedestal with applied 3D fields and implications for confinement

NASA Astrophysics Data System (ADS)

Wilcox, R. S.; Rhodes, T. L.; Shafer, M. W.; Sugiyama, L. E.; Ferraro, N. M.; Lyons, B. C.; McKee, G. R.; Paz-Soldan, C.; Wingen, A.; Zeng, L.

2018-05-01

Small 3D perturbations to the magnetic field in DIII-D ( δB /B ˜2 ×10-4 ) result in large modulations of density fluctuation amplitudes in the pedestal, which are shown using Doppler backscattering measurements to vary by a factor of 2. Helical perturbations of equilibrium density within flux surfaces have previously been observed in the pedestal of DIII-D plasmas when 3D fields are applied and were correlated with density fluctuation asymmetries in the pedestal. These intra-surface density and pressure variations are shown through two fluid MHD modeling studies using the M3D-C1 code to be due to the misalignment of the density and temperature equilibrium iso-surfaces in the pedestal region. This modeling demonstrates that the phase shift between the two iso-surfaces corresponds to the diamagnetic direction of the two species, with the mass density surfaces shifted in the ion diamagnetic direction relative to the temperature and magnetic flux iso-surfaces. The resulting pedestal density, potential, and turbulence asymmetries within flux surfaces near the separatrix may be at least partially responsible for several poorly understood phenomena that occur with the application of 3D fields in tokamaks, including density pump out and the increase in power required to transition from L- to H-mode.

Disentangling the effects of climate, density dependence, and harvest on an iconic large herbivore's population dynamics.

PubMed

Koons, David N; Colchero, Fernando; Hersey, Kent; Gimenez, Olivier

2015-06-01

Understanding the relative effects of climate, harvest, and density dependence on population dynamics is critical for guiding sound population management, especially for ungulates in arid and semiarid environments experiencing climate change. To address these issues for bison in southern Utah, USA, we applied a Bayesian state-space model to a 72-yr time series of abundance counts. While accounting for known harvest (as well as live removal) from the population, we found that the bison population in southern Utah exhibited a strong potential to grow from low density (β0 = 0.26; Bayesian credible interval based on 95% of the highest posterior density [BCI] = 0.19-0.33), and weak but statistically significant density dependence (β1 = -0.02, BCI = -0.04 to -0.004). Early spring temperatures also had strong positive effects on population growth (Pfat1 = 0.09, BCI = 0.04-0.14), much more so than precipitation and other temperature-related variables (model weight > three times more than that for other climate variables). Although we hypothesized that harvest is the primary driving force of bison population dynamics in southern Utah, our elasticity analysis indicated that changes in early spring temperature could have a greater relative effect on equilibrium abundance than either harvest or. the strength of density dependence. Our findings highlight the utility of incorporating elasticity analyses into state-space population models, and the need to include climatic processes in wildlife management policies and planning.

Seasonal variation in the biocontrol efficiency of bacterial wilt is driven by temperature-mediated changes in bacterial competitive interactions.

PubMed

Wei, Zhong; Huang, Jianfeng; Yang, Tianjie; Jousset, Alexandre; Xu, Yangchun; Shen, Qirong; Friman, Ville-Petri

2017-10-01

Microbe-based biocontrol applications hold the potential to become an efficient way to control plant pathogen disease outbreaks in the future. However, their efficiency is still very variable, which could be due to their sensitivity to the abiotic environmental conditions.Here, we assessed how environmental temperature variation correlates with ability of Ralstonia pickettii , an endophytic bacterial biocontrol agent, to suppress the Ralstonia solanacearum pathogen during different tomato crop seasons in China.We found that suppression of the pathogen was highest when the seasonal mean temperatures were around 20 °C and rapidly decreased with increasing mean crop season temperatures. Interestingly, low levels of disease incidence did not correlate with low pathogen or high biocontrol agent absolute densities. Instead, the biocontrol to pathogen density ratio was a more important predictor of disease incidence levels between different crop seasons. To understand this mechanistically, we measured the growth and strength of competition between the biocontrol agent and the pathogen over a naturally occurring temperature gradient in vitro . We found that the biocontrol strain grew relatively faster at low temperature ranges, and the pathogen at high temperature ranges, and that similar to field experiments, pathogen suppression peaked at 20 °C.Together, our results suggest that temperature-mediated changes in the strength of bacterial competition could potentially explain the variable R. solanacearum biocontrol outcomes between different crop seasons in China. Synthesis and applications . Our results suggest that abiotic environmental conditions, such as temperature, can affect the efficacy of biocontrol applications. Thus, in order to develop more consistent biocontrol applications in the future, we might need to find and isolate bacterial strains that can retain their functionality regardless of the changing environmental conditions.

Structural, electronic, elastic, thermoelectric and thermodynamic properties of the NbMSb half heusler (M=Fe, Ru, Os) compounds with first principle calculations

NASA Astrophysics Data System (ADS)

Abid, O. Miloud; Menouer, S.; Yakoubi, A.; Khachai, H.; Omran, S. Bin; Murtaza, G.; Prakash, Deo; Khenata, R.; Verma, K. D.

2016-05-01

The structural, electronic, elastic, thermoelectric and thermodynamic properties of NbMSb (M = Fe, Ru, Os) half heusler compounds are reported. The full-potential linearized augmented plane wave (FP-LAPW) plus local orbital (lo) method, based on the density functional theory (DFT) was employed for the present study. The equilibrium lattice parameter results are in good compliance with the available experimental measurements. The electronic band structure and Boltzmann transport calculations indicated a narrow indirect energy band gap for the compound having electronic structure favorable for thermoelectric performance as well as with substantial thermopowers at temperature ranges from 300 K to 800 K. Furthermore, good potential for thermoelectric performance (thermopower S ≥ 500 μeV) was found at higher temperature. In addition, the analysis of the charge density, partial and total densities of states (DOS) of three compounds demonstrate their semiconducting, ionic and covalent characters. Conversely, the calculated values of the Poisson's ratio and the B/G ratio indicate their ductile makeup. The thermal properties of the compounds were calculated by quasi-harmonic Debye model as implemented in the GIBBS code.

On the phase diagram of water with density functional theory potentials: the melting temperature of Ice I-h with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoo, Soohaeng; Zeng, Xiao Cheng; Xantheas, Sotiris S.

2009-06-11

The melting temperature (Tm) of ice Ih was determined from constant enthalphy (NPH) Born-Oppenheimer Molecular Dynamics (BOMD) simulations to be 417±3 K for the Perdew-Burke-Ernzerhof (PBE) and 411±4 K for the Becke-Lee-Yang-Parr (BLYP) density functionals using a coexisting ice (Ih)-liquid phase at constant pressures of P = 2,500 and 10,000 bar and a density ρ = 1 g/cm3, respectively. This suggests that ambient condition simulations at ρ = 1 g/cm3 will rather describe a supercooled state that is overstructured when compared to liquid water. This work was supported by the US Department of Energy Office of Basic Energy Sciences' Chemicalmore » Sciences program. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.« less

Measuring Ionization in Highly Compressed, Near-Degenerate Plasmas

NASA Astrophysics Data System (ADS)

Doeppner, Tilo; Kraus, D.; Neumayer, P.; Bachmann, B.; Collins, G. W.; Divol, L.; Kritcher, A.; Landen, O. L.; Pak, A.; Weber, C.; Fletcher, L.; Glenzer, S. H.; Falcone, R. W.; Saunders, A.; Chapman, D.; Baggott, R.; Gericke, D. O.; Yi, A.

2016-10-01

A precise knowledge of ionization at given temperature and density is required to accurately model compressibility and heat capacity of materials at extreme conditions. We use x-ray Thomson scattering to characterize the plasma conditions in plastic and beryllium capsules near stagnation in implosion experiments at the National Ignition Facility. We expect the capsules to be compressed to more than 20x and electron densities approaching 1025 cm-3, corresponding to a Fermi energy of 170 eV. Zinc Heα x-rays (9 keV) scattering at 120° off the plasma yields high sensitivity to K-shell ionization, while at the same time constraining density and temperature. We will discuss recent results in the context of ionization potential depression at these extreme conditions. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Burn Control Mechanisms in Tokamaks

NASA Astrophysics Data System (ADS)

Hill, M. A.; Stacey, W. M.

2015-11-01

Burn control and passive safety in accident scenarios will be an important design consideration in future tokamak reactors, in particular fusion-fission hybrid reactors, e.g. the Subcritical Advanced Burner Reactor. We are developing a burning plasma dynamics code to explore various aspects of burn control, with the intent to identify feedback mechanisms that would prevent power excursions. This code solves the coupled set of global density and temperature equations, using scaling relations from experimental fits. Predictions of densities and temperatures have been benchmarked against DIII-D data. We are examining several potential feedback mechanisms to limit power excursions: i) ion-orbit loss, ii) thermal instability density limits, iii) MHD instability limits, iv) the degradation of alpha-particle confinement, v) modifications to the radial current profile, vi) ``divertor choking'' and vii) Type 1 ELMs. Work supported by the US DOE under DE-FG02-00ER54538, DE-FC02-04ER54698.

Ab-initio calculations of electronic, transport, and structural properties of boron phosphide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ejembi, J. I.; Nwigboji, I. H.; Franklin, L.

2014-09-14

We present results from ab-initio, self-consistent density functional theory calculations of electronic and related properties of zinc blende boron phosphide (zb-BP). We employed a local density approximation potential and implemented the linear combination of atomic orbitals formalism. This technique follows the Bagayoko, Zhao, and Williams method, as enhanced by the work of Ekuma and Franklin. The results include electronic energy bands, densities of states, and effective masses. The calculated band gap of 2.02 eV, for the room temperature lattice constant of a=4.5383 Å, is in excellent agreement with the experimental value of 2.02±0.05 eV. Our result for the bulk modulus,more » 155.7 GPa, agrees with experiment (152–155 GPa). Our predictions for the equilibrium lattice constant and the corresponding band gap, for very low temperatures, are 4.5269 Å and 2.01 eV, respectively.« less

Production of B atoms and BH radicals from B2H6/He/H2 mixtures activated on heated W wires.

PubMed

Umemoto, Hironobu; Kanemitsu, Taijiro; Tanaka, Akihito

2014-07-17

B atoms and BH radicals could be identified by laser-induced fluorescence when B2H6/He/H2 mixtures were activated on heated tungsten wires. The densities of these radical species increased not only with the wire temperature but also with the partial pressure of H2. The densities in the presence of 0.026 Pa of B2H6 and 2.6 Pa of H2 were on the order of 10(11) cm(-3) both for B and BH when the wire temperature was 2000 K. Densities in the absence of a H2 flow were much smaller, suggesting that the direct production of these species on wire surfaces is minor. B and BH must be produced in the H atom shifting reactions, BH(x) + H → BH(x-1) + H2 (x = 1-3), in the gas phase, while H atoms are produced from H2 on wire surfaces. The B atom density increased monotonously with the H atom density, while the BH density showed saturation. These tendencies could be reproduced by simple modeling based on ab initio potential energy calculations and the transition-state theoretical calculations of the rate constants. The absolute densities could also be reproduced within a factor of 2.5.

Effect of metal ratio and calcination temperature of chromium based mixed oxides catalyst on FAME density from palm fatty acid distillate

NASA Astrophysics Data System (ADS)

Wan, Z.; Fatimah, S.; Shahar, S.; Noor, A. C.

2017-09-01

Mixed oxides chromium based catalysts were synthesized via sol-gel method for the esterification of palm fatty acid distillate (PFAD) to produce fatty acid methyl ester (FAME). The reactions were conducted in a batch reactor at reaction temperature of 160 °C for 4 h and methanol to PFAD molar ratio of 3:1. The effects of catalyst preparation conditions which are the mixed metal ratio and calcination temperature were studied. The various metal ratio of Cr:Mn (1:0, 0:1, 1:1, 1:2 and 2:1) and Cr:Ti (0:1, 1:1, 1:2 and 2:1) resulted in FAME density ranges from 1.041 g/cm3 to 0.853 g/cm3 and 1.107 g/cm3 to 0.836 g/cm3, respectively. The best condition catalyst was found to be Cr:Ti metal ratio of 1:2 and Cr:Mn metal ratio of 1:1. The calcination temperature of the mixed oxides between 300 °C to 700°C shows effect on the FAME density obtained in the reaction. The calcination at 500°C gave the lowest FAME density of 0.836 g/cm3 and 0.853 g/cm3 for Cr:Ti and Cr:Mn mixed oxides, respectively. The density of FAME is within the value range of the biodiesel fuel property. Thus, mixed oxides of Cr-Ti and Cr-Mn have good potentials as heterogeneous catalyst for FAME synthesis from high acid value oils such as PFAD.

Pyrolyzed binuclear-cobalt-phthalocyanine as electrocatalyst for oxygen reduction reaction in microbial fuel cells.

PubMed

Li, Baitao; Wang, Mian; Zhou, Xiuxiu; Wang, Xiujun; Liu, Bingchuan; Li, Baikun

2015-10-01

A novel platinum (Pt)-free cathodic materials binuclear-cobalt-phthalocyanine (Bi-CoPc) pyrolyzed at different temperatures (300-1000 °C) were examined as the oxygen reduction reaction (ORR) catalysts, and compared with unpyrolyzed Bi-CoPc/C and Pt cathode in single chamber microbial fuel cells (SCMFCs). The results showed that the pyrolysis process increased the nitrogen abundance on Bi-CoPc and changed the nitrogen types. The Bi-CoPc pyrolyzed at 800 °C contained a significant amount of pyrrolic-N, and exhibited a high electrochemical catalytic activity. The power density and current density increased with temperature: Bi-CoPc/C-800 > Bi-CoPc/C-1000 > Bi-CoPc/C-600 > Bi-CoPc/C-300 > Bi-CoPc/C. The SCMFC with Bi-CoPc/C-800 cathode had a maximum power density of 604 mW m(-2). The low cost Bi-CoPc compounds developed in this study showed a potential in air-breathing MFC systems, with the proper pyrolysis temperature being chosen. Copyright © 2015 Elsevier Ltd. All rights reserved.

Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice.

PubMed

Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W; Poole, Peter H

2016-12-14

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice

NASA Astrophysics Data System (ADS)

Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W.; Poole, Peter H.

2016-12-01

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

Consolidation of Si3N4 without additives (by hot isostatic pressing)

NASA Technical Reports Server (NTRS)

Yeh, H. C.

1983-01-01

The potential of using hot isostatic pressing (HIP'ing) technique to produce dense silicon nitride materials without or with a reduced amount of additives (much less than 5 w/o) was investigated. Hot isostatic pressing technique can provide higher pressure and temperature than hot pressing can, thus has the potential of requiring less densification aids to consolidate Si3N4 materials. It was anticipated that if such dense materials could be fabricated, the high temperature strength of the material should be improved significantly. Observations on the phase transformation, densification behavior, and microstructures of the samples are also documented. Density, microhardness, four point bend strength (room temperature and 1370 C) were measured on selected densified materials.

Ion-ion dynamic structure factor, acoustic modes, and equation of state of two-temperature warm dense aluminum

NASA Astrophysics Data System (ADS)

Harbour, L.; Förster, G. D.; Dharma-wardana, M. W. C.; Lewis, Laurent J.

2018-04-01

The ion-ion dynamical structure factor and the equation of state of warm dense aluminum in a two-temperature quasiequilibrium state, with the electron temperature higher than the ion temperature, are investigated using molecular-dynamics simulations based on ion-ion pair potentials constructed from a neutral pseudoatom model. Such pair potentials based on density functional theory are parameter-free and depend directly on the electron temperature and indirectly on the ion temperature, enabling efficient computation of two-temperature properties. Comparison with ab initio simulations and with other average-atom calculations for equilibrium aluminum shows good agreement, justifying a study of quasiequilibrium situations. Analyzing the van Hove function, we find that ion-ion correlations vanish in a time significantly smaller than the electron-ion relaxation time so that dynamical properties have a physical meaning for the quasiequilibrium state. A significant increase in the speed of sound is predicted from the modification of the dispersion relation of the ion acoustic mode as the electron temperature is increased. The two-temperature equation of state including the free energy, internal energy, and pressure is also presented.

Survival potential of Phytophthora infestans sporangia in relation to meteorological factors

USDA-ARS?s Scientific Manuscript database

Assessment of meteorological factors coupled with sporangia survival curves may enhance effective management of potato late blight, caused by Phytophthora infestans. We utilized a non-parametric density estimation approach to evaluate the cumulative probability of occurrence of temperature and relat...

The Charging of Dust Grains in the Inner Heliosheath

NASA Astrophysics Data System (ADS)

Avinash, K.; Slavin, J.; Zank, G. P.; Frisch, P.

2008-12-01

Equilibrium electric charge and surface potential on a dust grain in the heliosheath are calculated. The grain is charged due to heliosheath plasma flux, photo electrons flux, secondary electron emission flux and transmission flux. Realistically, the heliosheath plasma consists of solar electrons, solar wind ions [SWI] and pick up ions [PUI]. These species interact differently with TS and thus have different characteristics down stream in the heliosheath. The PUI suffer multiple reflections at TS and are accelerated to high energies in the range of ~ 106 K. The solar electrons, on the other hand, are heated adiabatically through the TS and have temperature in the range ~ 5x105 K. The SWI may have a smaller temperature typically in the range 1-5x104 K The density of electrons could be in the range ~5 x 10-4 cm-3, while the ratio of PUI to SWI density could range from 0.1 to 0.5. Taking into account these parameters, grain charging due to different plasma species and other fluxes mentioned earlier, is calculated. Our results show that (a) surface potential is very sensitive to electron temp. It goes through a maxima and for realistic values close to or less than 5x105 K it can be as big as 26V which is twice the value calculated by Kimura and Mann1. This may have implications for electrostatic disruption and the size distribution of dust particles in the heliosheath. With PUI density the surface potential increases about 10 to 20 %. Though temperature of PUI is significantly larger than that of electrons, it is not large enough to make up for the mass ratio of electrons to protons. On account small temperature and electron/proton mass ratio, the effect of SWI on dust charge is very weak. (1) H. Kimura and I. Mann, Ap.J. 499, 454 (1998).

The validity of the potential model in predicting the structural, dynamical, thermodynamic properties of the unary and binary mixture of water-alcohol: Methanol-water case

NASA Astrophysics Data System (ADS)

Obeidat, Abdalla; Abu-Ghazleh, Hind

2018-06-01

Two intermolecular potential models of methanol (TraPPE-UA and OPLS-AA) have been used in order to examine their validity in reproducing the selected structural, dynamical, and thermodynamic properties in the unary and binary systems. These two models are combined with two water models (SPC/E and TIP4P). The temperature dependence of density, surface tension, diffusion and structural properties for the unary system has been computed over specific range of temperatures (200-300K). The very good performance of the TraPPE-UA potential model in predicting surface tension, diffusion, structure, and density of the unary system led us to examine its accuracy and performance in its aqueous solution. In the binary system the same properties were examined, using different mole fractions of methanol. The TraPPE-UA model combined with TIP4P-water shows a very good agreement with the experimental results for density and surface tension properties; whereas the OPLS-AA combined with SPCE-water shows a very agreement with experimental results regarding the diffusion coefficients. Two different approaches have been used in calculating the diffusion coefficient in the mixture, namely the Einstein equation (EE) and Green-Kubo (GK) method. Our results show the advantageous of applying GK over EE in reproducing the experimental results and in saving computer time.

3D CFD ELECTROCHEMICAL AND HEAT TRANSFER MODEL OF AN INTERNALLY MANIFOLDED SOLID OXIDE ELECTROLYSIS CELL

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grant L. Hawkes; James E. O'Brien; Greg Tao

2011-11-01

A three-dimensional computational fluid dynamics (CFD) electrochemical model has been created to model high-temperature electrolysis cell performance and steam electrolysis in an internally manifolded planar solid oxide electrolysis cell (SOEC) stack. This design is being evaluated at the Idaho National Laboratory for hydrogen production from nuclear power and process heat. Mass, momentum, energy, and species conservation and transport are provided via the core features of the commercial CFD code FLUENT. A solid-oxide fuel cell (SOFC) model adds the electrochemical reactions and loss mechanisms and computation of the electric field throughout the cell. The FLUENT SOFC user-defined subroutine was modified formore » this work to allow for operation in the SOEC mode. Model results provide detailed profiles of temperature, operating potential, steam-electrode gas composition, oxygen-electrode gas composition, current density and hydrogen production over a range of stack operating conditions. Single-cell and five-cell results will be presented. Flow distribution through both models is discussed. Flow enters from the bottom, distributes through the inlet plenum, flows across the cells, gathers in the outlet plenum and flows downward making an upside-down ''U'' shaped flow pattern. Flow and concentration variations exist downstream of the inlet holes. Predicted mean outlet hydrogen and steam concentrations vary linearly with current density, as expected. Effects of variations in operating temperature, gas flow rate, oxygen-electrode and steam-electrode current density, and contact resistance from the base case are presented. Contour plots of local electrolyte temperature, current density, and Nernst potential indicate the effects of heat transfer, reaction cooling/heating, and change in local gas composition. Results are discussed for using this design in the electrolysis mode. Discussion of thermal neutral voltage, enthalpy of reaction, hydrogen production, cell thermal efficiency, cell electrical efficiency, and Gibbs free energy are discussed and reported herein.« less

Collective many-body bounce in the breathing-mode oscillations of a finite-temperature Tonks-Girardeau gas

NASA Astrophysics Data System (ADS)

Kheruntsyan, Karen; Atas, Yasar; Bouchoule, Isabelle; Gangardt, Dimitri

2017-04-01

We analyse the breathing-mode oscillations of a harmonically quenched Tonks-Giradeau (TG) gas using an exact finite-temperature dynamical theory. We predict a striking collective manifestation of impenetrability-a collective many-body bounce effect. The effect, while being invisible in the evolution of the in situ density profile of the gas, can be revealed through a nontrivial periodic narrowing of its momentum distribution, taking place at twice the rate of the fundamental breathing-mode frequency of oscillations of the density profile. We identify physical regimes for observing the many-body bounce and construct the respective nonequilibrium phase diagram as a function of the quench strength and the initial equilibrium temperature of the gas. We also develop a finite-temperature hydrodynamic theory of the TG gas, wherein the many-body bounce is explained by an increased thermodynamic pressure during the isentropic compression cycle, which acts as a potential barrier for the particles to bounce off.

Thermal properties of nuclear matter in a variational framework with relativistic corrections

NASA Astrophysics Data System (ADS)

Zaryouni, S.; Hassani, M.; Moshfegh, H. R.

2014-01-01

The properties of hot symmetric nuclear matter for a wide range of densities and temperatures are investigated by employing the AV14 potential within the lowest order constrained variational (LOCV) method with the inclusion of a phenomenological three-body force as well as relativistic corrections. The relativistic corrections of many-body kinetic energies as well as the boot interaction corrections are presented for a wide range of densities and temperatures. The free energy, pressure, incompressibility, and other thermodynamic quantities of symmetric nuclear matter are obtained and discussed. The critical temperature is found, and the liquid-gas phase transition is analyzed both with and without the inclusion of three-body forces and relativistic corrections in the LOCV approach. It is shown that the critical temperature is strongly affected by the three-body forces but does not depend on the relativistic corrections. Finally, the results obtained in the present study are compared with other many-body calculations and experimental predictions.

Influence of the Ambient Electric Field on Measurements of the Actively Controlled Spacecraft Potential by MMS

NASA Astrophysics Data System (ADS)

Torkar, K.; Nakamura, R.; Andriopoulou, M.; Giles, B. L.; Jeszenszky, H.; Khotyaintsev, Y. V.; Lindqvist, P.-A.; Torbert, R. B.

2017-12-01

Space missions with sophisticated plasma instrumentation such as Magnetospheric Multiscale, which employs four satellites to explore near-Earth space benefit from a low electric potential of the spacecraft, to improve the plasma measurements and therefore carry instruments to actively control the potential by means of ion beams. Without control, the potential varies in anticorrelation with plasma density and temperature to maintain an equilibrium between the plasma current and the one of photoelectrons produced at the surface and overcoming the potential barrier. A drawback of the controlled, almost constant potential is the difficulty to use it as convenient estimator for plasma density. This paper identifies a correlation between the spacecraft potential and the ambient electric field, both measured by double probes mounted at the end of wire booms, as the main responsible for artifacts in the potential data besides the known effect of the variable photoelectron production due to changing illumination of the surface. It is shown that the effect of density variations is too weak to explain the observed correlation with the electric field and that a correction of the artifacts can be achieved to enable the reconstruction of the uncontrolled potential and plasma density in turn. Two possible mechanisms are discussed: the asymmetry of the current-voltage characteristic determining the probe to plasma potential and the fact that a large equipotential structure embedded in an electric field results in asymmetries of both the emission and spatial distribution of photoelectrons, which results in an increase of the spacecraft potential.

Relic gravitational waves and extended inflation

NASA Technical Reports Server (NTRS)

Turner, Michael S.; Wilczek, Frank

1990-01-01

In extended inflation, a new version of inflation where the transition from an inflationary to a radiation-dominated universe is accomplished by bubble nucleation, bubble collisions supply a potent - and potentially detectable - source of gravitational waves. The energy density in relic gravitons from bubble collisions is expected to be about 0.00005 of closure density. Their characteristic wavelength depends on the reheating temperature. If black holes are produced by bubble collisions, they will evaporate, producing shorter-wavelength gravitons.

Jumps in electric potential and in temperature at the electrode surfaces of the solid oxide fuel cell

NASA Astrophysics Data System (ADS)

Kjelstrup, S.; Bedeaux, D.

1997-02-01

The electric potential profile and the temperature profile across a formation cell have been derived for the first time, using irreversible thermodynamics for bulk and surface systems. The method was demonstrated with the solid oxide fuel cell. The expression for the cell potential reduces to the classical formula when we assume equilibrium for polarized oxygen atoms across the electrolyte. Using data from the literature, we show for some likely assumptions, how the cell potential is generated at the anode, and how the energy is dissipated throughout the cell. The thermal gradient amounts to 5 × 10 8 Km -1 when the current density is 10 4 Am -2 and the thermal resistance of the surface scales like the electrical resistance.

Phonon quarticity induced by changes in phonon-tracked hybridization during lattice expansion and its stabilization of rutile TiO 2

DOE PAGES

Lan, Tian; Li, Chen W.; Hellman, O.; ...

2015-08-11

Although the rutile structure of TiO 2 is stable at high temperatures, the conventional quasiharmonic approximation predicts that several acoustic phonons decrease anomalously to zero frequency with thermal expansion, incorrectly predicting a structural collapse at temperatures well below 1000 K. In this paper, inelastic neutron scattering was used to measure the temperature dependence of the phonon density of states (DOS) of rutile TiO 2 from 300 to 1373 K. Surprisingly, these anomalous acoustic phonons were found to increase in frequency with temperature. First-principles calculations showed that with lattice expansion, the potentials for the anomalous acoustic phonons transform from quadratic tomore » quartic, stabilizing the rutile phase at high temperatures. In these modes, the vibrational displacements of adjacent Ti and O atoms cause variations in hybridization of 3d electrons of Ti and 2p electrons of O atoms. Finally, with thermal expansion, the energy variation in this “phonon-tracked hybridization” flattens the bottom of the interatomic potential well between Ti and O atoms, and induces a quarticity in the phonon potential.« less

Chemical Potential for the Interacting Classical Gas and the Ideal Quantum Gas Obeying a Generalized Exclusion Principle

ERIC Educational Resources Information Center

Sevilla, F. J.; Olivares-Quiroz, L.

2012-01-01

In this work, we address the concept of the chemical potential [mu] in classical and quantum gases towards the calculation of the equation of state [mu] = [mu](n, T) where n is the particle density and "T" the absolute temperature using the methods of equilibrium statistical mechanics. Two cases seldom discussed in elementary textbooks are…

Practical thermodynamic quantities for aqueous vanadium- and iron-based flow batteries

DOE PAGES

Hudak, Nicholas S.

2013-12-31

A simple method for experimentally determining thermodynamic quantities for flow battery cell reactions is presented. Equilibrium cell potentials, temperature derivatives of cell potential (d E/d T), Gibbs free energies, and entropies are reported here for all-vanadium, iron–vanadium, and iron–chromium flow cells with state-of-the-art solution compositions. Proof is given that formal potentials and formal temperature coefficients can be used with modified forms of the Nernst Equation to quantify the thermodynamics of flow cell reactions as a function of state-of-charge. Such empirical quantities can be used in thermo-electrochemical models of flow batteries at the cell or system level. In most cases, themore » thermodynamic quantities measured here are significantly different from standard values reported and used previously in the literature. The data reported here are also useful in the selection of operating temperatures for flow battery systems. Because higher temperatures correspond to lower equilibrium cell potentials for the battery chemistries studied here, it can be beneficial to charge a cell at higher temperature and discharge at lower temperature. As a result, proof-of-concept of improved voltage efficiency with the use of such non-isothermal cycling is given for the all-vanadium redox flow battery, and the effect is shown to be more pronounced at lower current densities.« less

High Energy Storage Density and Impedance Response of PLZT2/95/5 Antiferroelectric Ceramics.

PubMed

Li, Bi; Liu, Qiuxiang; Tang, Xingui; Zhang, Tianfu; Jiang, Yanping; Li, Wenhua; Luo, Jie

2017-02-08

(Pb 0.97 La 0.02 )(Zr 0.95 Ti 0.05 )O₃ (PLZT2/95/5) ceramics were successfully prepared via a solid-state reaction route. The dielectric properties were investigated in the temperature region of 26-650 °C. The dielectric diffuse anomaly in the dielectric relaxation was found in the high temperature region of 600-650 °C with increasing the measuring frequency, which was related to the dynamic thermal process of ionized oxygen vacancies generated in the high temperature. Two phase transition points were detected during heating, which were found to coexist from 150 to 200 °C. Electric field induced ferroelectric to antiferroelectric phase transition behavior of the (Pb 0.97 La 0.02 )(Zr 0.95 Ti 0.05 )O₃ ceramics was investigated in this work with an emphasis on energy storage properties. A recoverable energy-storage density of 0.83 J/cm³ and efficiency of 70% was obtained in (Pb 0.97 La 0.02 )(Zr 0.95 Ti 0.05 )O₃ ceramics at 55 kV/cm. Based on these results, (Pb 0.97 La 0.02 )(Zr 0.95 Ti 0.05 )O₃ ceramics with a large recoverable energy-storage density could be a potential candidate for the applications in high energy-storage density ceramic capacitors.

Mid-Latitude Ionospheric Disturbances Due to Geomagnetic Storms at ISS Altitudes

NASA Technical Reports Server (NTRS)

Minow, Joseph I.; Willis, Emily M.; Parker, Linda Neergaard

2014-01-01

Spacecraft charging of the International Space Station (ISS) is dominated by the interaction of the high voltage US solar arrays with the F2-region ionospheric plasma environment. We are working to fully understand the charging behavior of the ISS solar arrays and determine how well future charging behavior can be predicted from in-situ measurements of plasma density and temperature. One aspect of this work is a need to characterize the magnitude of electron density and temperature variations that may be encountered at ISS orbital altitudes (approximately 400 km), the latitudes over which they occur, and the time periods for which the disturbances persist. We will present preliminary results from a study of ionospheric disturbances in the "mid-latitude" region defined as the approximately 30 - 60 degree extra-equatorial magnetic latitudes sampled by ISS. The study is focused on geomagnetic storm periods because they are well known drivers for disturbances in the high-latitude and mid-latitude ionospheric plasma. Changes in the F2 peak electron density obtained from ground based ionosonde records are compared to in-situ electron density and temperature measurements from the CHAMP and ISS spacecraft at altitudes near, or above, the F2 peak. Results from a number of geomagnetic storms will be presented and their potential impact on ISS charging will be discussed.

Temperature effect on laser-induced breakdown spectroscopy spectra of molten and solid salts

NASA Astrophysics Data System (ADS)

Hanson, Cynthia; Phongikaroon, Supathorn; Scott, Jill R.

2014-07-01

Laser-induced breakdown spectroscopy (LIBS) has been investigated as a potential analytical tool to improve operations and safeguards for electrorefiners, such as those used in processing spent nuclear fuel. This study set out to better understand the effect of sample temperature and physical state on LIBS spectra of molten and solid salts by building calibration curves of cerium and assessing self-absorption, plasma temperature, electron density, and local thermal equilibrium (LTE). Samples were composed of a LiCl-KCl eutectic salt, an internal standard of MnCl2, and varying concentrations of CeCl3 (0.1, 0.3, 0.5, 0.8, and 1.0 wt.% Ce) under different temperatures (773, 723, 673, 623, and 573 K). Analysis of salts in their molten form is preferred as plasma plumes from molten samples experienced less self-absorption, less variability in plasma temperature, and higher clearance of the minimum electron density required for local thermal equilibrium. These differences are attributed to plasma dynamics as a result of phase changes. Spectral reproducibility was also better in the molten state due to sample homogeneity.

Predicting the melting temperature of ice-Ih with only electronic structure information as input.

PubMed

Pinnick, Eric R; Erramilli, Shyamsunder; Wang, Feng

2012-07-07

The melting temperature of ice-Ih was calculated with only electronic structure information as input by creating a problem-specific force field. The force field, Water model by AFM for Ice and Liquid (WAIL), was developed with the adaptive force matching (AFM) method by fitting to post-Hartree-Fock quality forces obtained in quantum mechanics∕molecular mechanics calculations. WAIL predicts the ice-Ih melting temperature to be 270 K. The model also predicts the densities of ice and water, the temperature of maximum density of water, the heat of vaporizations, and the radial distribution functions for both ice and water in good agreement with experimental measurements. The non-dissociative WAIL model is very similar to a flexible version of the popular TIP4P potential and has comparable computational cost. By customizing to problem-specific configurations with the AFM approach, the resulting model is remarkably more accurate than any variants of TIP4P for simulating ice-Ih and water in the temperature range from 253 K and 293 K under ambient pressure.

Global exospheric temperatures and densities under active solar conditions. [measured by OGO-6

NASA Technical Reports Server (NTRS)

Wydra, B. J.

1975-01-01

Temperatures measured by the OGO-6 satellite using the 6300 A airglow spectrum are compared with temperatures derived from total densities and N2 densities. It is shown that while the variation of the total densities with latitude and magnetic activity agree well with values used for CIRA (1972), the temperature behavior is very different. While the temperatures derived from the N2 density were in much better agreement there were several important differences which radically affect the pressure gradients. The variation of temperature with magnetic activity indicated a seasonal and local time effect and also a latitude and delay time variation different from previous density derived temperatures. A new magnetic index is proposed that is better correlated with the observed temperatures. The temperature variations at high latitudes were examined for three levels of magnetic activity for both solstices and equinox conditions. A temperature maximum in the pre-midnight sector and a minimum in the noon sector were noted and seasonal and geomagnetic time and latitude effects discussed. Neutral temperature, density, pressure and boundary oxygen variations for the great storm of March 8, 1970 are presented.

Lightweight, High-Temperature Radiator for Space Propulsion

NASA Technical Reports Server (NTRS)

Hyers, R. W.; Tomboulian, B. N.; Crave, Paul D.; Rogers, J. R.

2012-01-01

For high-power nuclear-electric spacecraft, the radiator can account for 40% or more of the power system mass and a large fraction of the total vehicle mass. Improvements in the heat rejection per unit mass rely on lower-density and higher-thermal conductivity materials. Current radiators achieve near-ideal surface radiation through high-emissivity coatings, so improvements in heat rejection per unit area can be accomplished only by raising the temperature at which heat is rejected. We have been investigating materials that have the potential to deliver significant reductions in mass density and significant improvements in thermal conductivity, while expanding the feasible range of temperature for heat rejection up to 1000 K and higher. The presentation will discuss the experimental results and models of the heat transfer in matrix-free carbon fiber fins. Thermal testing of other carbon-based fin materials including carbon nanotube cloth and a carbon nanotube composite will also be presented.

Impact of impurities on zonal flow driven by trapped electron mode turbulence

NASA Astrophysics Data System (ADS)

Guo, Weixin; Wang, Lu; Zhuang, Ge

2017-12-01

The impact of impurities on the generation of zonal flow (ZF) driven by collisonless trapped electron mode turbulence in deuterium (D)-tritium (T) plasmas is investigated. An expression for ZF growth rate with impurities is derived by balancing the ZF potential shielded by polarization effects and the ZF modulated radial turbulent current. Then, it is shown that the maximum normalized ZF growth rate is reduced by the presence of fully ionized non-trace light impurities with relatively flat density profile, and slightly reduced by highly ionized trace tungsten, while the maximum normalized ZF growth rate can be enhanced by fully ionized non-trace light impurities with relatively steep density profile. In particular, the effects of high temperature helium from D-T reaction on ZF depend on the temperature ratio between electrons and high temperature helium. The possible relevance of our findings to recent experimental results and future burning plasmas is also discussed.

Phase transition analysis of V-shaped liquid crystal: Combined temperature-dependent FTIR and density functional theory approach

NASA Astrophysics Data System (ADS)

Singh, Swapnil; Singh, Harshita; Karthick, T.; Tandon, Poonam; Prasad, Veena

2018-01-01

Temperature-dependent Fourier transform infrared spectroscopy (FTIR) combined with density functional theory (DFT) is employed to study the mechanism of phase transitions of V-shaped bent-core liquid crystal. Since it has a large number of flexible bonds, one-dimensional potential energy scan (PES) was performed on the flexible bonds and predicted the most stable conformer I. A detailed analysis of vibrational normal modes of conformer I have been done on the basis of potential energy distribution. The good agreement between the calculated spectrum of conformer I and observed FTIR spectrum at room temperature validates our theoretical structure model. Furthermore, the prominent changes observed in the stretching vibrational bands of CH3/CH2, Cdbnd O, ring CC, ring CO, ring CH in-plane bending, and ring CH out-of-plane bending at Iso → nematic phase transition (at 155 °C) have been illustrated. However, the minor changes in the spectral features observed for the other phase transitions might be due to the shape or bulkiness of molecules. Combined FTIR and PES study beautifully explained the dynamics of the molecules, molecular realignment, H-bonding, and conformational changes at the phase transitions.

Potential impact of high temperature superconductors on MAGLEV transportation

NASA Astrophysics Data System (ADS)

Hull, J. R.

1992-02-01

This report describes the potential impact that high-temperature superconductors (HTS's) may have on transportation by magnetically levitated vehicles. It is not intended as a planning document, but rather as an overview of potential HTS applications to magnetic-levitation (maglev) transportation. The present maglev program in the United States is summarized, and the present status of development of HTS's is described. Areas identified for possible impact on maglev technology are: (1) liquid-nitrogen-cooled levitation magnets; (2) magnetic-field shielding of the passenger compartment; (3) superconducting magnetic energy storage for wayside power; (4) superconducting bearings for flywheel energy storage for wayside power; (5) downleads to continuously powered liquid-helium-cooled levitation magnets; and (6) liquid-hydrogen-cooled levitation magnets and linear motor propulsion windings. Major technical issues that remain to be resolved for the use of HTS's in maglev applications include thermal magnetic stability, mechanical properties, and critical current density at liquid-nitrogen temperatures.

Gauge-invariant screening masses and static quark free energies in Nf=2 +1 QCD at nonzero baryon density

NASA Astrophysics Data System (ADS)

Andreoli, Michele; Bonati, Claudio; D'Elia, Massimo; Mesiti, Michele; Negro, Francesco; Rucci, Andrea; Sanfilippo, Francesco

2018-03-01

We discuss the extension of gauge-invariant electric and magnetic screening masses in the quark-gluon plasma to the case of a finite baryon density, defining them in terms of a matrix of Polyakov loop correlators. We present lattice results for Nf=2 +1 QCD with physical quark masses, obtained using the imaginary chemical potential approach, which indicate that the screening masses increase as a function of μB. A separate analysis is carried out for the theoretically interesting case μB/T =3 i π , where charge conjugation is not explicitly broken and the usual definition of the screening masses can be used for temperatures below the Roberge-Weiss transition. Finally, we investigate the dependence of the static quark free energy on the baryon chemical potential, showing that it is a decreasing function of μB, which displays a peculiar behavior as the pseudocritical transition temperature at μB=0 is approached.

Thermodynamic theory of the plasmoelectric effect

DOE PAGES

van de Groep, Jorik; Sheldon, Matthew T.; Atwater, Harry A.; ...

2016-03-18

Resonant metal nanostructures exhibit an optically induced electrostatic potential when illuminated with monochromatic light under off-resonant conditions. This plasmoelectric effect is thermodynamically driven by the increase in entropy that occurs when the plasmonic structure aligns its resonant absorption spectrum with incident illumination by varying charge density. As a result, the elevated steady-state temperature of the nanostructure induced by plasmonic absorption is further increased by a small amount. Here, we study in detail the thermodynamic theory underlying the plasmoelectric effect by analyzing a simplified model system consisting of a single silver nanoparticle. We find that surface potentials as large as 473more » mV are induced under 100 W/m2 monochromatic illumination, as a result of a 11 mK increases in the steady-state temperature of the nanoparticle. Hence, we discuss the applicability of this analysis for realistic experimental geometries, and show that this effect is generic for optical structures in which the resonance is linked to the charge density.« less

Temperature dependence of the crystalline quality of AlN layer grown on sapphire substrates by metalorganic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Li, Xiao-Hang; Wei, Yong O.; Wang, Shuo; Xie, Hongen; Kao, Tsung-Ting; Satter, Md. Mahbub; Shen, Shyh-Chiang; Douglas Yoder, P.; Detchprohm, Theeradetch; Dupuis, Russell D.; Fischer, Alec M.; Ponce, Fernando A.

2015-03-01

We studied temperature dependence of crystalline quality of AlN layers at 1050-1250 °C with a fine increment step of around 18 °C. The AlN layers were grown on c-plane sapphire substrates by metalorganic chemical vapor deposition (MOCVD) and characterized by X-ray diffraction (XRD) ω-scans and atomic force microscopy (AFM). At 1050-1068 °C, the templates exhibited poor quality with surface pits and higher XRD (002) and (102) full-width at half-maximum (FWHM) because of insufficient Al atom mobility. At 1086 °C, the surface became smooth suggesting sufficient Al atom mobility. Above 1086 °C, the (102) FWHM and thus edge dislocation density increased with temperatures which may be attributed to the shorter growth mode transition from three-dimension (3D) to two-dimension (2D). Above 1212 °C, surface macro-steps were formed due to the longer diffusion length of Al atoms than the expected step terrace width. The edge dislocation density increased rapidly above 1212 °C, indicating this temperature may be a threshold above which the impact of the transition from 3D to 2D is more significant. The (002) FWHM and thus screw dislocation density were insensitive to the temperature change. This study suggests that high-quality AlN/sapphire templates may be potentially achieved at temperatures as low as 1086 °C which is accessible by most of the III-nitride MOCVD systems.

Climate Change Impacts to North Pacific Pelagic Habitat Are Projected to Lower Carrying Capacity

NASA Astrophysics Data System (ADS)

Woodworth-Jefcoats, P. A.; Polovina, J. J.; Drazen, J.

2016-02-01

We use output from a suite of CMIP5 earth system models to explore the impacts of climate change on marine fisheries over the 21st century. Ocean temperatures from both the historical and RCP 8.5 projections are integrated over the upper 200 m of the water column to characterize thermal habitat in the epipelagic realm. We find that across all models the projected temperature increases lead to a redistribution of thermal habitat: temperatures that currently represent the majority of North Pacific pelagic habitat are replaced by temperatures several degrees warmer. Additionally, all models project the emergence of new thermal habitat that exceeds present-day maximum temperatures. Spatially, present-day thermal habitat retreats northward and contracts eastward as warmer habitat in the southern and western North Pacific expands. In addition to these changes in thermal habitat, zooplankton densities are projected to decline across much of the North Pacific. Taken together, warming temperatures and declining zooplankton densities create the potential for mismatches in metabolic demand and supply through the 21st century. We find that carrying capacity for tropical tunas and other commercially valuable pelagic fish may be especially vulnerable to the impacts of climate change. The waters projected to see the greatest redistribution of thermal habitat and greatest declines in zooplankton densities are primarily those targeted by the Hawaii-based and international longline fleets. Fishery managers around the North Pacific will need to incorporate these impacts of climate change into future management strategies.

Densities and temperatures in the polar thermosphere

NASA Technical Reports Server (NTRS)

Gardner, L. J.

1977-01-01

The atomic oxygen density at 120 km, the 630 nm airglow temperature, the helium density at 300 km and the molecular nitrogen density near 400 km were examined as functions of geomagnetic latitude, geomagnetic time, season and magnetic activity level. The long-term averages of these quantities were examined so as to provide a baseline of these thermospheric parameters from which future studies may be made for comparison. The hours around magnetic noon are characterized by low temperatures, high 0 and He densities, and median nitrogen densities. The pre-midnight hours exhibit high temperatures, high He density, low nitrogen density and median 0 densities. The post-midnight sector shows low 0 and He densities, median temperatures and high nitrogen densities. These results are compared to recent models and observations and are discussed with respect to their causes due to divergence of the wind field and energy deposition in the thermosphere.

Structure and orientational ordering in a fluid of elongated quadrupolar molecules

NASA Astrophysics Data System (ADS)

Singh, Ram Chandra

2013-01-01

A second-order density-functional theory is used to study the effect of quadrupolar interactions on the isotropic-nematic transition in a system of fluids of elongated molecules interacting via the Gay-Berne potential. The direct pair-correlation functions of the coexisting isotropic fluid that enter in the theory as input information are obtained by solving the Ornstein-Zernike equation using the Percus-Yevick integral equation theory in the (reduced) temperature range of 1.6≤T∗≤3.0 for different densities, temperatures and quadrupole moments. Using the harmonic coefficients of the direct pair-correlation functions, isotropic-nematic phase coexistence and thermodynamic parameters have been calculated. The theoretical results have been compared with the available computer simulation results.

Thermoacoustic couple

DOEpatents

Wheatley, J.C.; Swift, G.W.; Migliori, A.

1983-10-04

An apparatus and method for determining acoustic power density level and its direction in a fluid using a single sensor are disclosed. The preferred embodiment of the apparatus, which is termed a thermoacoustic couple, consists of a stack of thin, spaced apart polymeric plates, selected ones of which include multiple bimetallic thermocouple junctions positioned along opposite end edges thereof. The thermocouple junctions are connected in series in the nature of a thermopile, and are arranged so as to be responsive to small temperature differences between the opposite edges of the plates. The magnitude of the temperature difference, as represented by the magnitude of the electrical potential difference generated by the thermopile, is found to be directly related to the level of acoustic power density in the gas.

Curvature Effect on the Capacitance of Electric Double Layers at Ionic Liquid/Onion-Like Carbon Interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Guang; Jiang, Deen; Cummings, Peter T

Recent experiments have revealed that onion-like carbons (OLCs) offer high energy density and charging/discharging rates when used as the electrodes in supercapacitors. To understand the physical origin of this phenomenon, molecular dynamics simulations were performed for a room-temperature ionic liquid near idealized spherical OLCs with radii ranging from 0.356 to 1.223 nm. We find that the surface charge density increases almost linearly with the potential applied on electric double layers (EDLs) near OLCs. This leads to a nearly flat shape of the differential capacitance versus the potential, unlike the bell or camel shape observed on planar electrodes. Moreover, our simulationsmore » reveal that the capacitance of EDLs on OLCs increases with the curvature or as the OLC size decreases, in agreement with experimental observations. The curvature effect is explained by dominance of charge overscreening over a wide potential range and increased ion density per unit area of electrode surface as the OLC becomes smaller.« less

Germanium MOS capacitors grown on Silicon using low temperature RF-PECVD

NASA Astrophysics Data System (ADS)

Dushaq, Ghada; Rasras, Mahmoud; Nayfeh, Ammar

2017-10-01

In this paper, Ge metal-oxide-semiconductor capacitors (MOSCAPs) are fabricated on Si using a low temperature two-step deposition technique by radio frequency plasma enhanced chemical vapor deposition. The MOSCAP gate stack consists of atomic layer deposition of Al2O3 as the gate oxide and a Ti/Al metal gate electrode. The electrical characteristics of 9 nm Al2O3/i-Ge/Si MOSCAPs exhibit an n-type (p-channel) behavior and normal high frequency C-V responses. In addition to CV measurements, the gate leakage versus the applied voltage is measured and discussed. Moreover, the electrical behavior is discussed in terms of the material and interface quality. The Ge/high-k interface trap density versus the surface potential is extracted using the most commonly used methods in detemining the interface traps based on the capacitance-voltage (C-V) curves. The discussion included the Dit calculation from the conductance method, the high-low frequency (Castagné-Vapaille) method, and the Terman (high-frequency) method. Furthermore, the origins of the discrepancies in the interface trap densities determined from the different methods are discussed. The study of the post annealed Ge layers at different temperatures in H2 and N2 gas ambient revealed an improved electrical and transport properties of the films treated at T  <  600 °C. Also, samples annealed at  <550 °C show the lowest threading dislocation density of ~1  ×  106 cm-2. The low temperature processing of Ge/Si demonstrates a great potential for p-channel transistor applications in a monolithically integrated CMOS platform.

Reference Correlation for the Viscosity of Carbon Dioxide1

PubMed Central

Laesecke, Arno; Muzny, Chris D.

2017-01-01

A comprehensive database of experimental and computed data for the viscosity of carbon dioxide (CO2) was compiled and a new reference correlation was developed. Literature results based on an ab initio potential energy surface were the foundation of the correlation of the viscosity in the limit of zero density in the temperature range from 100 K to 2000 K. Guided symbolic regression was employed to obtain a new functional form that extrapolates correctly to T → 0 K and to 10 000 K. Coordinated measurements at low density made it possible to implement the temperature dependence of the Rainwater-Friend theory in the linear-in-density viscosity term. The residual viscosity could be formulated with a scaling term ργ/T the significance of which was confirmed by symbolic regression. The final viscosity correlation covers temperatures from 100 K to 2000 K for gaseous CO2, and from 220 K to 700 K with pressures along the melting line up to 8000 MPa for compressed and supercritical liquid states. The data representation is more accurate than with the previous correlations, and the covered pressure and temperature range is significantly extended. The critical enhancement of the viscosity of CO2 is included in the new correlation. PMID:28736460

Effect of instantaneous and continuous quenches on the density of vibrational modes in model glasses.

PubMed

Lerner, Edan; Bouchbinder, Eran

2017-08-01

Computational studies of supercooled liquids often focus on various analyses of their "underlying inherent states"-the glassy configurations at zero temperature obtained by an infinitely fast (instantaneous) quench from equilibrium supercooled states. Similar protocols are also regularly employed in investigations of the unjamming transition at which the rigidity of decompressed soft-sphere packings is lost. Here we investigate the statistics and localization properties of low-frequency vibrational modes of glassy configurations obtained by such instantaneous quenches. We show that the density of vibrational modes grows as ω^{β} with β depending on the parent temperature T_{0} from which the glassy configurations were instantaneously quenched. For quenches from high temperature liquid states we find β≈3, whereas β appears to approach the previously observed value β=4 as T_{0} approaches the glass transition temperature. We discuss the consistency of our findings with the theoretical framework of the soft potential model, and contrast them with similar measurements performed on configurations obtained by continuous quenches at finite cooling rates. Our results suggest that any physical quench at rates sufficiently slower than the inverse vibrational time scale-including all physically realistic quenching rates of molecular or atomistic glasses-would result in a glass whose density of vibrational modes is universally characterized by β=4.

Effect of instantaneous and continuous quenches on the density of vibrational modes in model glasses

NASA Astrophysics Data System (ADS)

Lerner, Edan; Bouchbinder, Eran

2017-08-01

Computational studies of supercooled liquids often focus on various analyses of their "underlying inherent states"—the glassy configurations at zero temperature obtained by an infinitely fast (instantaneous) quench from equilibrium supercooled states. Similar protocols are also regularly employed in investigations of the unjamming transition at which the rigidity of decompressed soft-sphere packings is lost. Here we investigate the statistics and localization properties of low-frequency vibrational modes of glassy configurations obtained by such instantaneous quenches. We show that the density of vibrational modes grows as ωβ with β depending on the parent temperature T0 from which the glassy configurations were instantaneously quenched. For quenches from high temperature liquid states we find β ≈3 , whereas β appears to approach the previously observed value β =4 as T0 approaches the glass transition temperature. We discuss the consistency of our findings with the theoretical framework of the soft potential model, and contrast them with similar measurements performed on configurations obtained by continuous quenches at finite cooling rates. Our results suggest that any physical quench at rates sufficiently slower than the inverse vibrational time scale—including all physically realistic quenching rates of molecular or atomistic glasses—would result in a glass whose density of vibrational modes is universally characterized by β =4 .

Ignition threshold for non-Maxwellian plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hay, Michael J., E-mail: hay@princeton.edu; Fisch, Nathaniel J.; Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543

2015-11-15

An optically thin p-{sup 11}B plasma loses more energy to bremsstrahlung than it gains from fusion reactions, unless the ion temperature can be elevated above the electron temperature. In thermal plasmas, the temperature differences required are possible in small Coulomb logarithm regimes, characterized by high density and low temperature. Ignition could be reached more easily if the fusion reactivity can be improved with nonthermal ion distributions. To establish an upper bound for the potential utility of a nonthermal distribution, we consider a monoenergetic beam with particle energy selected to maximize the beam-thermal reactivity. Comparing deuterium-tritium (DT) and p-{sup 11}B, themore » minimum Lawson criteria and minimum ρR required for inertial confinement fusion (ICF) volume ignition are calculated with and without the nonthermal feature. It turns out that channeling fusion alpha energy to maintain such a beam facilitates ignition at lower densities and ρR, improves reactivity at constant pressure, and could be used to remove helium ash. On the other hand, the reactivity gains that could be realized in DT plasmas are significant, the excess electron density in p-{sup 11}B plasmas increases the recirculated power cost to maintain a nonthermal feature and thereby constrains its utility to ash removal.« less

Floating potential in electronegative plasmas for non-zero ion temperatures

NASA Astrophysics Data System (ADS)

Regodón, Guillermo Fernando; Fernández Palop, José Ignacio; Tejero-del-Caz, Antonio; Díaz-Cabrera, Juan Manuel; Carmona-Cabezas, Rafael; Ballesteros, Jerónimo

2018-02-01

The floating potential of a Langmuir probe immersed in an electronegative plasma is studied theoretically under the assumption of radial positive ion fluid movement for non-zero positive ion temperature: both cylindrical and spherical geometries are studied. The model is solvable exactly. The special characteristics of the electronegative pre-sheath are found and the influence of the stratified electronegative pre-sheath is shown to be very small in practical applications. It is suggested that the use of the floating potential in the measurement of negative ions population density is convenient, in view of the numerical results obtained. The differences between the two radial geometries, which become very important for small probe radii of the order of magnitude of the Debye length, are studied.

Phonons on fcc (100), (110), and (111) surfaces using Lennard-Jones potentials. II. Temperature dependence of surface phonons studied with molecular dynamics

NASA Astrophysics Data System (ADS)

Koleske, D. D.; Sibener, S. J.

In this paper we present temperature dependent studies of the surface phonon dispersion relations for fcc (100), (110), and (111) faces using molecular dynamics (MD) simulations and Lennard-Jones potentials. This study was conducted in order to investigate how anharmonic potential terms influence the dynamical properties of the surface. This was accomplished by examining the temperature dependence of the Q-resolved phonon spectral density function. All phonon frequencies were found to decrease linearly in T as the temperature was increased, while at low temperatures the phonon linewidths increased linearly with T. At higher temperatures, some of the phonon linewidths changed from having a linear to a quadratic dependence on T. The temperature at which this T to T2 change occurs is surface dependent and occurs at the lowest temperature on the (110) surface. The T2 dependence arises from the increasing importance of higher-order phonon-phonon scattering terms. The phonons which exhibit T2 dependence tend to be modes which propagate perpendicularly or nearly perpendicularly to the direction of maximum root-mean-squared displacement (RMSD). This is especially true for the linewidth of the S 1 mode at overlineX on the (110) surface where, at T ≈ 15-23% of the melting temperature, the RMSD perpendicular to the atomic rows become larger than the RMSD normal to the surface. Our results indicate that the dynamics on the (110) surface may be significantly influenced by anharmonic potential terms at temperatures as low as 15% of the melting temperature.

Conditions and growth rate of Rayleigh instability in a Hall thruster under the effect of ion temperature.

PubMed

Malik, Hitendra K; Singh, Sukhmander

2011-03-01

Rayleigh instability is investigated in a Hall thruster under the effect of finite temperature and density gradient of the plasma species. The instability occurs only when the frequency of the oscillations ω falls within a frequency band described by k{y}u₀+1/k_{y}∂²u_{0}/∂x²+Ω/k_{y}n_{0}∂n₀/∂x≪ω

A systematic study of atmospheric pressure chemical vapor deposition growth of large-area monolayer graphene.

PubMed

Liu, Lixin; Zhou, Hailong; Cheng, Rui; Chen, Yu; Lin, Yung-Chen; Qu, Yongquan; Bai, Jingwei; Ivanov, Ivan A; Liu, Gang; Huang, Yu; Duan, Xiangfeng

2012-01-28

Graphene has attracted considerable interest as a potential material for future electronics. Although mechanical peel is known to produce high quality graphene flakes, practical applications require continuous graphene layers over a large area. The catalyst-assisted chemical vapor deposition (CVD) is a promising synthetic method to deliver wafer-sized graphene. Here we present a systematic study on the nucleation and growth of crystallized graphene domains in an atmospheric pressure chemical vapor deposition (APCVD) process. Parametric studies show that the mean size of the graphene domains increases with increasing growth temperature and CH 4 partial pressure, while the density of domains decreases with increasing growth temperature and is independent of the CH 4 partial pressure. Our studies show that nucleation of graphene domains on copper substrate is highly dependent on the initial annealing temperature. A two-step synthetic process with higher initial annealing temperature but lower growth temperature is developed to reduce domain density and achieve high quality full-surface coverage of monolayer graphene films. Electrical transport measurements demonstrate that the resulting graphene exhibits a high carrier mobility of up to 3000 cm 2 V -1 s -1 at room temperature.

Density-controlled, solution-based growth of ZnO nanorod arrays via layer-by-layer polymer thin films for enhanced field emission

NASA Astrophysics Data System (ADS)

Weintraub, Benjamin; Chang, Sehoon; Singamaneni, Srikanth; Han, Won Hee; Choi, Young Jin; Bae, Joonho; Kirkham, Melanie; Tsukruk, Vladimir V.; Deng, Yulin

2008-10-01

A simple, scalable, and cost-effective technique for controlling the growth density of ZnO nanorod arrays based on a layer-by-layer polyelectrolyte polymer film is demonstrated. The ZnO nanorods were synthesized using a low temperature (T = 90 °C), solution-based method. The density-control technique utilizes a polymer thin film pre-coated on the substrate to control the mass transport of the reactant to the substrate. The density-controlled arrays were investigated as potential field emission candidates. The field emission results revealed that an emitter density of 7 nanorods µm-2 and a tapered nanorod morphology generated a high field enhancement factor of 5884. This novel technique shows promise for applications in flat panel display technology.

A Situational-Awareness System For Networked Infantry Including An Accelerometer-Based Shot-Identification Algorithm For Direct-Fire Weapons

DTIC Science & Technology

2016-09-01

noise density and temperature sensitivity of these devices are all on the same order of magnitude. Even the worst- case noise density of the GCDC...accelerations from a handgun firing were distinct from other impulsive events on the wrist, such as using a hammer. Loeffler first identified potential shots by...spikes, taking various statistical parameters. He used a logistic regression model on these parameters and was able to classify 98.9% of shots

Interactions Between Housing Density and Ambient Temperature in the Cage Environment: Effects on Mouse Physiology and Behavior.

PubMed

Toth, Linda A; Trammell, Rita A; Ilsley-Woods, Megan

2015-11-01

To determine how housing density and ambient temperature interact to influence the physiology and behavior of mice, we systematically varied housing density (1 to 5 mice per cage) and ambient temperature (22, 26, or 30 °C) and measured effects on body weight, food intake, diurnal patterns of locomotor activity and core temperature, fecal corticosterone, and serum cytokine and adipokine panels. Temperatures inside cages housing 5 mice were 1 to 2 °C higher than the ambient temperature. As the housing density decreased, in-cage temperatures began to fall at a density of 2 or 3 mice per cage and did not differ from ambient temperature at 1 mouse per cage. Ambient temperature, but not housing density, significantly affected food intake. Although neither ambient temperature nor housing density affected core temperature or activity, hyperthermia and behavioral activation occurred during the 12-h period after cage change. Fecal concentrations of corticosterone metabolites and serum cytokines, chemokines, insulin, and leptin were not influenced by cage density and were only sporadically influenced by ambient temperature. Our data document that the number of mice housed per cage influences the intracage environmental conditions and that ambient temperature influences food intake even when temperatures are within or near recommended or thermoneutral ranges. We conclude that investigators should be cautious when changing the number of mice housed in a cage over the course of a study, because doing so significantly alters the cage environment to which remaining mice are exposed.

Interactions Between Housing Density and Ambient Temperature in the Cage Environment: Effects on Mouse Physiology and Behavior

PubMed Central

Toth, Linda A; Trammell, Rita A; Ilsley-Woods, Megan

2015-01-01

To determine how housing density and ambient temperature interact to influence the physiology and behavior of mice, we systematically varied housing density (1 to 5 mice per cage) and ambient temperature (22, 26, or 30 °C) and measured effects on body weight, food intake, diurnal patterns of locomotor activity and core temperature, fecal corticosterone, and serum cytokine and adipokine panels. Temperatures inside cages housing 5 mice were 1 to 2 °C higher than the ambient temperature. As the housing density decreased, in-cage temperatures began to fall at a density of 2 or 3 mice per cage and did not differ from ambient temperature at 1 mouse per cage. Ambient temperature, but not housing density, significantly affected food intake. Although neither ambient temperature nor housing density affected core temperature or activity, hyperthermia and behavioral activation occurred during the 12-h period after cage change. Fecal concentrations of corticosterone metabolites and serum cytokines, chemokines, insulin, and leptin were not influenced by cage density and were only sporadically influenced by ambient temperature. Our data document that the number of mice housed per cage influences the intracage environmental conditions and that ambient temperature influences food intake even when temperatures are within or near recommended or thermoneutral ranges. We conclude that investigators should be cautious when changing the number of mice housed in a cage over the course of a study, because doing so significantly alters the cage environment to which remaining mice are exposed. PMID:26632780

Environmental parameters influence on the dynamics of total and pathogenic Vibrio parahaemolyticus densities in Crassostrea virginica harvested from Mexico's Gulf coast.

PubMed

López-Hernández, Karla M; Pardío-Sedas, Violeta T; Lizárraga-Partida, Leonardo; Williams, José de J; Martínez-Herrera, David; Flores-Primo, Argel; Uscanga-Serrano, Roxana; Rendón-Castro, Karla

2015-02-15

The influence of environmental parameters on the total and pathogenic Vibrio parahaemolyticus seasonal densities in American oysters (Crassostrea virginica) was evaluated for 1 year. Harvesting site A yielded the highest mean densities of V. parahaemolyticus tlh+, tdh+/trh-, tdh-/trh+ and tdh+/trh+ during spring season at 2.57, 1.74, 0.36, and -0.40 log10 MPN/g, respectively, and tdh+/orf8+ during winter season (0.90 log10 MPN/g). V. parahaemolyticus tlh+ densities were associated to salinity (R(2)=0.372, P<0.022), tdh+/trh+ to turbidity (R(2)=0.597, P<0.035), and orf8+ to temperature, salinity, and pH (R(2)=0.964, P<0.001). The exposure to salinity and temperature conditions during winter and spring seasons regulated the dynamics of V. parahaemolyticus harboring potentially pathogenic genotypes within the oyster. The adaptive response of V. parahaemolyticus to seasonal environmental changes may lead to an increase in survival and virulence, threatening the seafood safety and increasing the risk of illness. Copyright © 2014 Elsevier Ltd. All rights reserved.

Fist Principles Approach to the Magneto Caloric Effect: Application to Ni2MnGa

NASA Astrophysics Data System (ADS)

Odbadrakh, Khorgolkhuu; Nicholson, Don; Rusanu, Aurelian; Eisenbach, Markus; Brown, Gregory; Evans, Boyd, III

2011-03-01

The magneto-caloric effect (MCE) has potential application in heating and cooling technologies. In this work, we present calculated magnetic structure of a candidate MCE material, Ni 2 MnGa. The magnetic configurations of a 144 atom supercell is first explored using first-principle, the results are then used to fit exchange parameters of a Heisenberg Hamiltonian. The Wang-Landau method is used to calculate the magnetic density of states of the Heisenberg Hamiltonian. Based on this classical estimate, the magnetic density of states is calculated using the Wang Landau method with energies obtained from the first principles method. The Currie temperature and other thermodynamic properties are calculated using the density of states. The relationships between the density of magnetic states and the field induced adiabatic temperature change and isothermal entropy change are discussed. This work was sponsored by the Laboratory Directed Research and Development Program (ORNL), by the Mathematical, Information, and Computational Sciences Division; Office of Advanced Scientific Computing Research (US DOE), and by the Materials Sciences and Engineering Division; Office of Basic Energy Sciences (US DOE).

Temperature Prediction Model for Bone Drilling Based on Density Distribution and In Vivo Experiments for Minimally Invasive Robotic Cochlear Implantation.

PubMed

Feldmann, Arne; Anso, Juan; Bell, Brett; Williamson, Tom; Gavaghan, Kate; Gerber, Nicolas; Rohrbach, Helene; Weber, Stefan; Zysset, Philippe

2016-05-01

Surgical robots have been proposed ex vivo to drill precise holes in the temporal bone for minimally invasive cochlear implantation. The main risk of the procedure is damage of the facial nerve due to mechanical interaction or due to temperature elevation during the drilling process. To evaluate the thermal risk of the drilling process, a simplified model is proposed which aims to enable an assessment of risk posed to the facial nerve for a given set of constant process parameters for different mastoid bone densities. The model uses the bone density distribution along the drilling trajectory in the mastoid bone to calculate a time dependent heat production function at the tip of the drill bit. Using a time dependent moving point source Green's function, the heat equation can be solved at a certain point in space so that the resulting temperatures can be calculated over time. The model was calibrated and initially verified with in vivo temperature data. The data was collected in minimally invasive robotic drilling of 12 holes in four different sheep. The sheep were anesthetized and the temperature elevations were measured with a thermocouple which was inserted in a previously drilled hole next to the planned drilling trajectory. Bone density distributions were extracted from pre-operative CT data by averaging Hounsfield values over the drill bit diameter. Post-operative [Formula: see text]CT data was used to verify the drilling accuracy of the trajectories. The comparison of measured and calculated temperatures shows a very good match for both heating and cooling phases. The average prediction error of the maximum temperature was less than 0.7 °C and the average root mean square error was approximately 0.5 °C. To analyze potential thermal damage, the model was used to calculate temperature profiles and cumulative equivalent minutes at 43 °C at a minimal distance to the facial nerve. For the selected drilling parameters, temperature elevation profiles and cumulative equivalent minutes suggest that thermal elevation of this minimally invasive cochlear implantation surgery may pose a risk to the facial nerve, especially in sclerotic or high density mastoid bones. Optimized drilling parameters need to be evaluated and the model could be used for future risk evaluation.

Potential Energy Landscape of the Liquid-Liquid Phase Transition in Water and the transformation between Low-Density and High-Density Amorphous Ice

NASA Astrophysics Data System (ADS)

Giovambattista, N.; Sciortino, F.; Starr, F. W.; Poole, P. H.

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics for describing supercooled liquids and glasses. We use the PEL formalism and computer simulations to study the transformation between low-density (LDL) and high-density liquid (HDL) water, and between low-density (LDA) and high-density amorphous ice (HDA). We employ the ST2 water model that exhibits a LDL-HDL first-order phase transition and a sharp LDA-HDA transformation, as observed in experiments. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that LDL configurations are located in the same megabasin as LDA, and that HDL configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid and the amorphous ice differ. We also study the liquid-to-ice-VII first-order phase transition. The PEL properties across this transition are qualitatively similar to the changes found during the LDA-HDA transformation, supporting the interpretation that the LDA-HDA transformation is a first-order-like phase transition between out-of-equilibrium states.

Stationary temperature profiles in a liquid nanochannel: Comparisons between molecular-dynamics simulation and classical hydrostatics

NASA Astrophysics Data System (ADS)

Okumura, Hisashi; Heyes, David M.

2006-12-01

We compare the results of three-dimensional molecular-dynamics (MD) simulations of a Lennard-Jones (LJ) liquid with a hydrostatic (HS) solution of a high temperature liquid channel which is surrounded by a fluid at lower temperature. The maximum temperature gradient, dT/dx , between the two temperature regions ranged from ∞ (step function) to dT/dx=0.1 (in the usual LJ units). Because the systems were in stationary-nonequilibrium states with no fluid flow, both MD simulation and the HS solution gave flat profiles for the normal pressure in all temperature-gradient cases. However, the other quantities showed differences between the two methods. The MD-derived density was found to oscillate over the length of ca. 8 LJ particle diameters from the boundary plane in the system with the infinite temperature gradient, while the HS-derived density showed simply a stepwise profile. The MD simulation also showed another anomaly near the boundary in potential energy. We have found systems in which the HS treatment works well and those where the HS approach breaks down, and therefore established the minimum length scale for the HS treatment to be valid. We also compare the kinetic temperature and the configurational temperature in these systems, and show that these can differ in the transition zone between the two temperatures.

Stationary temperature profiles in a liquid nanochannel: comparisons between molecular-dynamics simulation and classical hydrostatics.

PubMed

Okumura, Hisashi; Heyes, David M

2006-12-01

We compare the results of three-dimensional molecular-dynamics (MD) simulations of a Lennard-Jones (LJ) liquid with a hydrostatic (HS) solution of a high temperature liquid channel which is surrounded by a fluid at lower temperature. The maximum temperature gradient, dT/dx , between the two temperature regions ranged from infinity (step function) to dT/dx=0.1 (in the usual LJ units). Because the systems were in stationary-nonequilibrium states with no fluid flow, both MD simulation and the HS solution gave flat profiles for the normal pressure in all temperature-gradient cases. However, the other quantities showed differences between the two methods. The MD-derived density was found to oscillate over the length of ca. 8 LJ particle diameters from the boundary plane in the system with the infinite temperature gradient, while the HS-derived density showed simply a stepwise profile. The MD simulation also showed another anomaly near the boundary in potential energy. We have found systems in which the HS treatment works well and those where the HS approach breaks down, and therefore established the minimum length scale for the HS treatment to be valid. We also compare the kinetic temperature and the configurational temperature in these systems, and show that these can differ in the transition zone between the two temperatures.

Molecular dynamics simulation of premelting and melting phase transitions in stoichiometric uranium dioxide

NASA Astrophysics Data System (ADS)

Yakub, Eugene; Ronchi, Claudio; Staicu, Dragos

2007-09-01

Results of molecular dynamics (MD) simulation of UO2 in a wide temperature range are presented and discussed. A new approach to the calibration of a partly ionic Busing-Ida-type model is proposed. A potential parameter set is obtained reproducing the experimental density of solid UO2 in a wide range of temperatures. A conventional simulation of the high-temperature stoichiometric UO2 on large MD cells, based on a novel fast method of computation of Coulomb forces, reveals characteristic features of a premelting λ transition at a temperature near to that experimentally observed (Tλ=2670K ). A strong deviation from the Arrhenius behavior of the oxygen self-diffusion coefficient was found in the vicinity of the transition point. Predictions for liquid UO2, based on the same potential parameter set, are in good agreement with existing experimental data and theoretical calculations.

Effects of low central fuelling on density and ion temperature profiles in reversed shear plasmas on JT-60U

NASA Astrophysics Data System (ADS)

Takenaga, H.; Ide, S.; Sakamoto, Y.; Fujita, T.; JT-60 Team

2008-07-01

Effects of low central fuelling on density and ion temperature profiles have been investigated using negative ion based neutral beam injection and electron cyclotron heating (ECH) in reversed shear plasmas on JT-60U. Strong internal transport barrier (ITB) was maintained in density and ion temperature profiles, when central fuelling was decreased by switching positive ion based neutral beam injection to ECH after the strong ITB formation. Similar density and ion temperature ITBs were formed for the low and high central fuelling cases during the plasma current ramp-up phase. Strong correlation between the density gradient and the ion temperature gradient was observed, indicating that particle transport and ion thermal transport are strongly coupled or the density gradient assists the ion temperature ITB formation through suppression of drift wave instabilities such as ion temperature gradient mode. These results support that the density and ion temperature ITBs can be formed under reactor relevant conditions.

Numerical simulations used for a validity check on the laser induced photo-detachment diagnostic method in electronegative plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oudini, N.; Taccogna, F.; Bendib, A.

2014-06-15

Laser photo-detachment is used as a method to measure or determine the negative ion density and temperature in electronegative plasmas. In essence, the method consists of producing an electropositive channel (negative ion free region) via pulsed laser photo-detachment within an electronegative plasma bulk. Electrostatic probes placed in this channel measure the change in the electron density. A second pulse might be used to track the negative ion recovery. From this, the negative ion density and temperature can be determined. We study the formation and relaxation of the electropositive channel via a two-dimensional Particle-In-Cell/Mote Carlo collision model. The simulation is mainlymore » carried out in a Hydrogen plasma with an electronegativity of α = 1, with a parametric study for α up to 20. The temporal and spatial evolution of the plasma potential and the electron densities shows the formation of a double layer (DL) confining the photo-detached electrons within the electropositive channel. This DL evolves into two fronts that move in the opposite directions inside and outside of the laser spot region. As a consequence, within the laser spot region, the background and photo-detached electron energy distribution function relaxes/thermalizes via collisionless effects such as Fermi acceleration and Landau damping. Moreover, the simulations show that collisional effects and the DL electric field strength might play a non-negligible role in the negative ion recovery within the laser spot region, leading to a two-temperature negative ion distribution. The latter result might have important effects in the determination of the negative ion density and temperature from laser photo detachment diagnostic.« less

Numerical simulations used for a validity check on the laser induced photo-detachment diagnostic method in electronegative plasmas

NASA Astrophysics Data System (ADS)

Oudini, N.; Taccogna, F.; Bendib, A.; Aanesland, A.

2014-06-01

Laser photo-detachment is used as a method to measure or determine the negative ion density and temperature in electronegative plasmas. In essence, the method consists of producing an electropositive channel (negative ion free region) via pulsed laser photo-detachment within an electronegative plasma bulk. Electrostatic probes placed in this channel measure the change in the electron density. A second pulse might be used to track the negative ion recovery. From this, the negative ion density and temperature can be determined. We study the formation and relaxation of the electropositive channel via a two-dimensional Particle-In-Cell/Mote Carlo collision model. The simulation is mainly carried out in a Hydrogen plasma with an electronegativity of α = 1, with a parametric study for α up to 20. The temporal and spatial evolution of the plasma potential and the electron densities shows the formation of a double layer (DL) confining the photo-detached electrons within the electropositive channel. This DL evolves into two fronts that move in the opposite directions inside and outside of the laser spot region. As a consequence, within the laser spot region, the background and photo-detached electron energy distribution function relaxes/thermalizes via collisionless effects such as Fermi acceleration and Landau damping. Moreover, the simulations show that collisional effects and the DL electric field strength might play a non-negligible role in the negative ion recovery within the laser spot region, leading to a two-temperature negative ion distribution. The latter result might have important effects in the determination of the negative ion density and temperature from laser photo detachment diagnostic.

Communication: Studies of the Lennard-Jones fluid in 2, 3, and 4 dimensions highlight the need for a liquid-state 1/d expansion.

PubMed

Costigliola, Lorenzo; Schrøder, Thomas B; Dyre, Jeppe C

2016-06-21

The recent theoretical prediction by Maimbourg and Kurchan [e-print arXiv:1603.05023 (2016)] that for regular pair-potential systems the virial potential-energy correlation coefficient increases towards unity as the dimension d goes to infinity is investigated for the standard 12-6 Lennard-Jones fluid. This is done by computer simulations for d = 2, 3, 4 going from the critical point along the critical isotherm/isochore to higher density/temperature. In both cases the virial potential-energy correlation coefficient increases significantly. For a given density and temperature relative to the critical point, with increasing number of dimension the Lennard-Jones system conforms better to the hidden-scale-invariance property characterized by high virial potential-energy correlations (a property that leads to the existence of isomorphs in the thermodynamic phase diagram, implying that it becomes effectively one-dimensional in regard to structure and dynamics). The present paper also gives the first numerical demonstration of isomorph invariance of structure and dynamics in four dimensions. Our findings emphasize the need for a universally applicable 1/d expansion in liquid-state theory; we conjecture that the systems known to obey hidden scale invariance in three dimensions are those for which the yet-to-be-developed 1/d expansion converges rapidly.

Density of states, optical and thermoelectric properties of perovskite vanadium fluorides Na3VF6

NASA Astrophysics Data System (ADS)

Reshak, A. H.; Azam, Sikander

2014-05-01

The electronic structure, charge density and Fermi surface of Na3VF6 compound have been examined with the support of density functional theory (DFT). Using the full potential linear augmented plane wave method, we employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engel-Vosko GGA (EVGGA) to treat the exchange correlation potential to solve Kohn-Sham equations. The calculation show that Na3VF6 compound has metallic nature and the Fermi energy (EF) is assessed by overlapping of V-d state. The calculated density of states at the EF are about 18.655, 51.932 and 13.235 states/eV, and the bare linear low-temperature electronic specific heat coefficient (γ) is found to be 3.236 mJ/mol-K2, 9.008 mJ/mol-K2 and 2.295 mJ/mol-K2 for LDA, GGA and EVGGA, respectively. The Fermi surface is composed of two sheets. The chemical bonding of Na3VF6 compound is analyzed through the electronic charge density in the (1 1 0) crystallographic plane. The optical constants and thermal properties were also calculated and discussed.

Compatibility of lithium plasma-facing surfaces with high edge temperatures in the Lithium Tokamak Experiment (LTX)

NASA Astrophysics Data System (ADS)

Majeski, Dick

2016-10-01

High edge electron temperatures (200 eV or greater) have been measured at the wall-limited plasma boundary in the Lithium Tokamak eXperiment (LTX). High edge temperatures, with flat electron temperature profiles, are a long-predicted consequence of low recycling boundary conditions. The temperature profile in LTX, measured by Thomson scattering, varies by as little as 10% from the plasma axis to the boundary, determined by the lithium-coated high field-side wall. The hydrogen plasma density in the outer scrape-off layer is very low, 2-3 x 1017 m-3 , consistent with a low recycling metallic lithium boundary. The plasma surface interaction in LTX is characterized by a low flux of high energy protons to the lithium PFC, with an estimated Debye sheath potential approaching 1 kV. Plasma-material interactions in LTX are consequently in a novel regime, where the impacting proton energy exceeds the peak in the sputtering yield for the lithium wall. In this regime, further increases in the edge temperature will decrease, rather than increase, the sputtering yield. Despite the high edge temperature, the core impurity content is low. Zeff is 1.2 - 1.5, with a very modest contribution (<0.1) from lithium. So far experiments are transient. Gas puffing is used to increase the plasma density. After gas injection stops, the discharge density is allowed to drop, and the edge is pumped by the low recycling lithium wall. An upgrade to LTX which includes a 35A, 20 kV neutral beam injector to provide core fueling to maintain constant density, as well as auxiliary heating, is underway. Two beam systems have been loaned to LTX by Tri Alpha Energy. Additional results from LTX, as well as progress on the upgrade - LTX- β - will be discussed. Work supported by US DOE contracts DE-AC02-09CH11466 and DE-AC05-00OR22725.

Fluid transition layer between rigid solute and liquid solvent: is there depletion or enrichment?

PubMed

Djikaev, Yuri S; Ruckenstein, Eli

2016-03-21

The fluid layer between solute and liquid solvent is studied by combining the density functional theory with the probabilistic hydrogen bond model. This combination allows one to obtain the equilibrium distribution of fluid molecules, taking into account the hydrogen bond contribution to the external potential whereto they are subjected near the solute. One can find the effective width of the fluid solvent-solute transition layer and fluid average density in that layer, and determine their dependence on temperature, solvent-solute affinity, vicinal hydrogen bond (hb) energy alteration ratio, and solute radius. Numerical calculations are performed for the solvation of a plate and spherical solutes of four different radii in two model solvents (associated liquid and non-associated one) in the temperature range from 293 K to 333 K for various solvent-solute affinities and hydrogen bond energy alteration ratios. The predictions of our model for the effective width and average density of the transition layer are consistent with experiments and simulations. The small-to-large crossover lengthscale for hydrophobic hydration is expected to be about 3-5 nm. Remarkably, characterizing the transition layer with the average density, one can observe that for small hydrophobes, the transition layer becomes enriched with rather than depleted of fluid when the solvent-solute affinity and hb-energy alteration ratio become large enough. The boundary values of solvent-solute affinity and hb-energy alteration ratio, needed for the "depletion-to-enrichment" crossover (in the smoothed density sense), are predicted to decrease with increasing temperature.

Ionospheric Measurements Using Environmental Sampling Techniques

NASA Technical Reports Server (NTRS)

Bourdeau, R. E.; Jackson, J. E.; Kane, J. A.; Serbu, G. P.

1960-01-01

Two rockets were flown to peak altitudes of 220 km in September 1959 to test various methods planned for future measurements of ionization parameters in the ionosphere, exosphere, and interplanetary plasma. The experiments used techniques which sample the ambient environment in the immediate vicinity of the research vehicle. Direct methods were chosen since indirect propagation techniques do not provide the temperatures of charged particles, are insensitive to ion densities, and cannot measure local electron densities under all conditions. Very encouraging results have been obtained from a preliminary analysis of data provided by one of the two flights. A new rf probe technique was successfully used to determine the electron density profile. This was indicated by its agreement with the results of a companion cw propagation experiment, particularly when the probe data were corrected for the effects of the ion sheath which surrounds the vehicle. The characteristics of this sheath were determined directly in flight by an electric field meter which provided the sheath field, and by a Langmuir probe which measured the total potential across the sheath. The electron temperatures deduced from the Langmuir probe data are greater than the neutral gas temperatures previously measured for the same location and season, but these measurements possibly were taken under different atmospheric conditions. Ion densities were calculated from the ion trap data for several altitudes ranging from 130 to 210 km and were found to be within 20 percent of the measured electron densities.

Intensity- and temperature- dependent carrier recombination in InAs/In(As 1-xSb x) type-II superlattices

DOE PAGES

Olson, Benjamin Varberg; Kadlec, Emil Andrew; Kim, Jin K.; ...

2015-04-17

Our time-resolved measurements for carrier recombination are reported as a midwave infrared InAs/InAs 0.66Sb 0.34 type-II superlattice (T2SL) function of pump intensity and sample temperature. By including the T2SL doping level in the analysis, the Shockley-Read-Hall (SRH), radiative, and Auger recombination components of the carrier lifetime are uniquely distinguished at each temperature. SRH is the limiting recombination mechanism for excess carrier densities less than the doping level (the low-injection regime) and temperatures less than 175 K. A SRH defect energy of 95 meV, either below the T2SL conduction-band edge or above the T2SL valence-band edge, is identified. Auger recombination limitsmore » the carrier lifetimes for excess carrier densities greater than the doping level (the high-injection regime) for all temperatures tested. Additionally, at temperatures greater than 225 K, Auger recombination also limits the low-injection carrier lifetime due to the onset of the intrinsic temperature range and large intrinsic carrier densities. Radiative recombination is found to not have a significant contribution to the total lifetime for all temperatures and injection regimes, with the data implying a photon recycling factor of 15. Using the measured lifetime data, diffusion currents are calculated and compared to calculated Hg 1-xCd xTe dark current, indicating that the T2SL can have a lower dark current with mitigation of the SRH defect states. Our results illustrate the potential for InAs/InAs 1-xSb x T2SLs as absorbers in infrared photodetectors.« less

Effect of Temperature on the Desorption of Lithium from Molybdenum(110) Surfaces: Implications for Fusion Reactor First Wall Materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Mohan; Roszell, John; Scoullos, Emanuel V.

2016-03-30

Determining the strength of Li binding to Mo is critical to assessing the survivability of Li as a potential first wall material in fusion reactors. Here, we present the results of a joint experimental and theoretical investigation into how Li desorbs from Mo(110) surfaces, based on what can be deduced from temperature-programmed desorption measurements and density functional theory (DFT). Li desorption peaks measured at temperatures ranging from 711 K (1 monolayer, ML) to 1030 K (0.04 ML), with corresponding desorption onsets from 489 to 878 K, follow a trend similar to predicted Gibbs free energies for Li adsorption. Bader chargemore » analysis of DFT densities reveals that repulsive forces between neighboring positively charged Li atoms increase with coverage and thus reduce the bond strength between Mo and Li, thereby lowering the desorption temperature as the coverage increases. In addition, DFT predicts that Li desorbs at higher temperatures from a surface with vacancies than from a perfect surface, offering an explanation for the anomalously high desorption temperatures for the last Li to desorb from Mo(110). Analysis of simulated local densities of states indicates that the stronger binding to the defective surface is correlated with enhanced interaction between Li and Mo, involving the Li 2s electrons and not only the Mo 4d electrons as in the case of the pristine surface, but also the Mo 5s electrons in the case with surface vacancies. We suggest that steps and kinks present on the Mo(110) surface behave similarly and contribute to the high desorption temperatures. These findings imply that roughened Mo surfaces may strengthen Li film adhesion at higher temperatures.« less

Atypically small temperature-dependence of the direct band gap in the metastable semiconductor copper nitride Cu 3 N

DOE Office of Scientific and Technical Information (OSTI.GOV)

Birkett, Max; Savory, Christopher N.; Fioretti, Angela N.

The temperature-dependence of the direct band gap and thermal expansion in the metastable anti-ReO 3 semiconductor Cu 3N are investigated between 4.2 and 300 K by Fourier-transform infrared spectroscopy and x-ray diffraction. Complementary refractive index spectra are determined by spectroscopic ellipsometry at 300K. A direct gap of 1.68eV is associated with the absorption onset at 300K, which strengthens continuously and reaches a magnitude of 3.5 x 10 5cm -1 at 2.7eV, suggesting potential for photovoltaic applications. Notably, the direct gap redshifts by just 24meV between 4.2 and 300K, giving an atypically small band-gap temperature coefficient dE g/dT of -0.082meV/K. Additionally,more » the band structure, dielectric function, phonon dispersion, linear expansion, and heat capacity are calculated using density functional theory; remarkable similarities between the experimental and calculated refractive index spectra support the accuracy of these calculations, which indicate beneficially low hole effective masses and potential negative thermal expansion below 50K. To assess the lattice expansion contribution to the band-gap temperature-dependence, a quasiharmonic model fit to the observed lattice contraction finds a monotonically decreasing linear expansion (descending past 10 -6K -1 below 80K), while estimating the Debye temperature, lattice heat capacity, and Gruneisen parameter. Accounting for lattice and electron-phonon contributions to the observed band-gap evolution suggests average phonon energies that are qualitatively consistent with predicted maxima in the phonon density of states. Furthermore, as band-edge temperature-dependence has significant consequences for device performance, copper nitride should be well suited for applications that require a largely temperature-invariant band gap.« less

Atypically small temperature-dependence of the direct band gap in the metastable semiconductor copper nitride Cu 3 N

DOE PAGES

Birkett, Max; Savory, Christopher N.; Fioretti, Angela N.; ...

2017-03-06

The temperature-dependence of the direct band gap and thermal expansion in the metastable anti-ReO 3 semiconductor Cu 3N are investigated between 4.2 and 300 K by Fourier-transform infrared spectroscopy and x-ray diffraction. Complementary refractive index spectra are determined by spectroscopic ellipsometry at 300K. A direct gap of 1.68eV is associated with the absorption onset at 300K, which strengthens continuously and reaches a magnitude of 3.5 x 10 5cm -1 at 2.7eV, suggesting potential for photovoltaic applications. Notably, the direct gap redshifts by just 24meV between 4.2 and 300K, giving an atypically small band-gap temperature coefficient dE g/dT of -0.082meV/K. Additionally,more » the band structure, dielectric function, phonon dispersion, linear expansion, and heat capacity are calculated using density functional theory; remarkable similarities between the experimental and calculated refractive index spectra support the accuracy of these calculations, which indicate beneficially low hole effective masses and potential negative thermal expansion below 50K. To assess the lattice expansion contribution to the band-gap temperature-dependence, a quasiharmonic model fit to the observed lattice contraction finds a monotonically decreasing linear expansion (descending past 10 -6K -1 below 80K), while estimating the Debye temperature, lattice heat capacity, and Gruneisen parameter. Accounting for lattice and electron-phonon contributions to the observed band-gap evolution suggests average phonon energies that are qualitatively consistent with predicted maxima in the phonon density of states. Furthermore, as band-edge temperature-dependence has significant consequences for device performance, copper nitride should be well suited for applications that require a largely temperature-invariant band gap.« less

Chemical-potential flow equations for graphene with Coulomb interactions

NASA Astrophysics Data System (ADS)

Fräßdorf, Christian; Mosig, Johannes E. M.

2018-06-01

We calculate the chemical potential dependence of the renormalized Fermi velocity and static dielectric function for Dirac quasiparticles in graphene nonperturbatively at finite temperature. By reinterpreting the chemical potential as a flow parameter in the spirit of the functional renormalization group (fRG) we obtain a set of flow equations, which describe the change of these functions upon varying the chemical potential. In contrast to the fRG the initial condition of the flow is nontrivial and has to be calculated separately. Our results are consistent with a charge carrier-independent Fermi velocity v (k ) for small densities n ≲k2/π , supporting the comparison of the zero-density fRG calculation of Bauer et al. [Phys. Rev. B 92, 121409 (2015), 10.1103/PhysRevB.92.121409], with the experiment of Elias et al. [Nat. Phys. 7, 701 (2011), 10.1038/nphys2049].

Comparative study of three-nucleon potentials in nuclear matter

NASA Astrophysics Data System (ADS)

Lovato, Alessandro; Benhar, Omar; Fantoni, Stefano; Schmidt, Kevin E.

2012-02-01

A new generation of local three-body potentials providing an excellent description of the properties of light nuclei, as well as of the neutron-deuteron doublet scattering length, has been recently derived. We have performed a comparative analysis of the equations of state of both pure neutron matter (PNM) and symmetric nuclear matter (SNM) at zero temperature obtained using these models of three-nucleon forces. In particular, we have carried out both variational and auxiliary field diffusion Monte Carlo calculations of the equation of state of PNM, while in the case of SNM we have only the variational approach has been considered. None of the considered potentials simultaneously explains the empirical equilibrium density and binding energy of symmetric nuclear matter. However, two of them provide reasonable values of the saturation density. The ambiguity concerning the treatment of the contact term of the chiral inspired potentials is discussed.

Anomalous Transport Properties of Dense QCD in a Magnetic Field

NASA Astrophysics Data System (ADS)

de la Incera, Vivian

2017-06-01

Despite recent advancements in the study and understanding of the phase diagram of strongly interacting matter, the region of high baryonic densities and low temperatures has remained difficult to reach in the lab. Things are expected to change with the planned HIC experiments at FAIR in Germany and NICA in Russia, which will open a window to the high-density-low-temperature segment of the QCD phase map, providing a unique opportunity to test the validity of model calculations that have predicted the formation of spatially inhomogeneous phases with broken chiral symmetry at intermediate-to-high densities. Such a density region is also especially relevant for the physics of neutron stars, as they have cores that can have several times the nuclear saturation density. On the other hand, strong magnetic fields, whose presence is fairly common in HIC and in neutron stars, can affect the properties of these exotic phases and lead to signatures potentially observable in these two settings. In this paper, I examine the anomalous transport properties produced by the spectral asymmetry of the lowest Landau level (LLL) in a QCD-inspired NJL model with a background magnetic field that exhibits chiral symmetry breaking at high density via the formation of a Dual Chiral Density Wave (DCDW) condensate. It turns out that in this model the electromagnetic interactions are described by the axion electrodynamics equations and there is a dissipationless Hall current.

Phase transition in conjugated oligomers suspended in chloroform

NASA Astrophysics Data System (ADS)

Dwivedi, Shikha; Kumar, Anupam; Yadav, S. N. S.; Mishra, Pankaj

2015-08-01

Density functional theory (DFT) has been used to investigate the isotropic-nematic (I-N) phase transition in a system of high aspect ratio conjugated oligomers suspended in chloroform. The interaction between the oligomers is modeled using Gay-Berne potential in which effect of solvent is implicit. Percus-Yevick integral equation theory has been used to evaluate the pair correlation functions of the fluid phase at several temperatures and densities. These pair correlation function has been used in the DFT to evaluate the I-N freezing parameters. Highly oriented nematic is found to stabilize at low density. The results obtained are in qualitative agreement with the simulation and are verifiable.

Fabrication of Solid-State Multilayer Glass Capacitors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilke, Rudeger H. T.; Brown-Shaklee, Harlan James; Casias, Adrian L.

Alkali-free glasses show immense promise for the development of high-energy density capacitors. The high breakdown strengths on single-layer sheets of glass suggest the potential for improved energy densities over existing state-of-the art polymer capacitors. In this paper, we demonstrate the ability to package thin glass to make solid-state capacitors. Individual layers are bonded using epoxy, leading to capacitors that exhibit stable operation over the temperature range -55 °C to +65 °C. Here, this fabrication approach is scalable and allows for proof testing individual layers prior to incorporation of the stack, providing a blueprint for the fabrication of high-energy density capacitors.

Fabrication of Solid-State Multilayer Glass Capacitors

DOE PAGES

Wilke, Rudeger H. T.; Brown-Shaklee, Harlan James; Casias, Adrian L.; ...

2017-07-31

Alkali-free glasses show immense promise for the development of high-energy density capacitors. The high breakdown strengths on single-layer sheets of glass suggest the potential for improved energy densities over existing state-of-the art polymer capacitors. In this paper, we demonstrate the ability to package thin glass to make solid-state capacitors. Individual layers are bonded using epoxy, leading to capacitors that exhibit stable operation over the temperature range -55 °C to +65 °C. Here, this fabrication approach is scalable and allows for proof testing individual layers prior to incorporation of the stack, providing a blueprint for the fabrication of high-energy density capacitors.

Equilibrium finite-frequency noise of an interacting mesoscopic capacitor studied in time-dependent density functional theory

NASA Astrophysics Data System (ADS)

Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole

2018-03-01

We calculate the frequency-dependent equilibrium noise of a mesoscopic capacitor in time-dependent density functional theory (TDDFT). The capacitor is modeled as a single-level quantum dot with on-site Coulomb interaction and tunnel coupling to a nearby reservoir. The noise spectra are derived from linear-response conductances via the fluctuation-dissipation theorem. Thereby, we analyze the performance of a recently derived exchange-correlation potential with time-nonlocal density dependence in the finite-frequency linear-response regime. We compare our TDDFT noise spectra with real-time perturbation theory and find excellent agreement for noise frequencies below the reservoir temperature.

Phase transitions in core-collapse supernova matter at sub-saturation densities

NASA Astrophysics Data System (ADS)

Pais, Helena; Newton, William G.; Stone, Jirina R.

2014-12-01

Phase transitions in hot, dense matter in the collapsing cores of massive stars have an important impact on the core-collapse supernova mechanism as they absorb heat, disrupt homology, and so weaken the developing shock. We perform a three-dimensional, finite temperature Skyrme-Hartree-Fock (SHF) study of inhomogeneous nuclear matter to determine the critical density and temperature for the phase transition between the pasta phase and homogeneous matter and its properties. We employ four different parametrizations of the Skyrme nuclear energy-density functional, SkM*, SLy4, NRAPR, and SQMC700, which span a range of saturation-density symmetry energy behaviors constrained by a variety of nuclear experimental probes. For each of these interactions we calculate free energy, pressure, entropy, and chemical potentials in the range of particle number densities where the nuclear pasta phases are expected to exist, 0.02-0.12 fm-3, temperatures 2-8 MeV, and a proton fraction of 0.3. We find unambiguous evidence for a first-order phase transition to uniform matter, unsoftened by the presence of the pasta phases. No conclusive signs of a first-order phase transition between the pasta phases is observed, and it is argued that the thermodynamic quantities vary continuously right up to the first-order phase transition to uniform matter. We compare our results with thermodynamic spinodals calculated using the same Skyrme parametrizations, finding that the effect of short-range Coulomb correlations and quantum shell effects included in our model leads to the pasta phases existing at densities up to 0.01 fm-3 above the spinodal boundaries, thus increasing the transition density to uniform matter by the same amount. The transition density is otherwise shown to be insensitive to the symmetry energy at saturation density within the range constrained by the concordance of a variety of experimental constraints, and can be taken to be a well determined quantity.

Dynamics of electrical double layer formation in room-temperature ionic liquids under constant-current charging conditions

NASA Astrophysics Data System (ADS)

Jiang, Xikai; Huang, Jingsong; Zhao, Hui; Sumpter, Bobby G.; Qiao, Rui

2014-07-01

We report detailed simulation results on the formation dynamics of an electrical double layer (EDL) inside an electrochemical cell featuring room-temperature ionic liquids (RTILs) enclosed between two planar electrodes. Under relatively small charging currents, the evolution of cell potential from molecular dynamics (MD) simulations during charging can be suitably predicted by the Landau-Ginzburg-type continuum model proposed recently (Bazant et al 2011 Phys. Rev. Lett. 106 046102). Under very large charging currents, the cell potential from MD simulations shows pronounced oscillation during the initial stage of charging, a feature not captured by the continuum model. Such oscillation originates from the sequential growth of the ionic space charge layers near the electrode surface. This allows the evolution of EDLs in RTILs with time, an atomistic process difficult to visualize experimentally, to be studied by analyzing the cell potential under constant-current charging conditions. While the continuum model cannot predict the potential oscillation under such far-from-equilibrium charging conditions, it can nevertheless qualitatively capture the growth of cell potential during the later stage of charging. Improving the continuum model by introducing frequency-dependent dielectric constant and density-dependent ion diffusion coefficients may help to further extend the applicability of the model. The evolution of ion density profiles is also compared between the MD and the continuum model, showing good agreement.

Dynamics of electrical double layer formation in room-temperature ionic liquids under constant-current charging conditions.

PubMed

Jiang, Xikai; Huang, Jingsong; Zhao, Hui; Sumpter, Bobby G; Qiao, Rui

2014-07-16

We report detailed simulation results on the formation dynamics of an electrical double layer (EDL) inside an electrochemical cell featuring room-temperature ionic liquids (RTILs) enclosed between two planar electrodes. Under relatively small charging currents, the evolution of cell potential from molecular dynamics (MD) simulations during charging can be suitably predicted by the Landau-Ginzburg-type continuum model proposed recently (Bazant et al 2011 Phys. Rev. Lett. 106 046102). Under very large charging currents, the cell potential from MD simulations shows pronounced oscillation during the initial stage of charging, a feature not captured by the continuum model. Such oscillation originates from the sequential growth of the ionic space charge layers near the electrode surface. This allows the evolution of EDLs in RTILs with time, an atomistic process difficult to visualize experimentally, to be studied by analyzing the cell potential under constant-current charging conditions. While the continuum model cannot predict the potential oscillation under such far-from-equilibrium charging conditions, it can nevertheless qualitatively capture the growth of cell potential during the later stage of charging. Improving the continuum model by introducing frequency-dependent dielectric constant and density-dependent ion diffusion coefficients may help to further extend the applicability of the model. The evolution of ion density profiles is also compared between the MD and the continuum model, showing good agreement.

Hydrate-melt electrolytes for high-energy-density aqueous batteries

NASA Astrophysics Data System (ADS)

Yamada, Yuki; Usui, Kenji; Sodeyama, Keitaro; Ko, Seongjae; Tateyama, Yoshitaka; Yamada, Atsuo

2016-10-01

Aqueous Li-ion batteries are attracting increasing attention because they are potentially low in cost, safe and environmentally friendly. However, their low energy density (<100 Wh kg-1 based on total electrode weight), which results from the narrow operating potential window of water and the limited selection of suitable negative electrodes, is problematic for their future widespread application. Here, we explore optimized eutectic systems of several organic Li salts and show that a room-temperature hydrate melt of Li salts can be used as a stable aqueous electrolyte in which all water molecules participate in Li+ hydration shells while retaining fluidity. This hydrate-melt electrolyte enables a reversible reaction at a commercial Li4Ti5O12 negative electrode with a low reaction potential (1.55 V versus Li+/Li) and a high capacity (175 mAh g-1). The resultant aqueous Li-ion batteries with high energy density (>130 Wh kg-1) and high voltage (˜2.3-3.1 V) represent significant progress towards performance comparable to that of commercial non-aqueous batteries (with energy densities of ˜150-400 Wh kg-1 and voltages of ˜2.4-3.8 V).

Impacts of Ocean Acidification and Temperature Change on Zooxanthellae Density in Coral Stylophora pistillata

NASA Astrophysics Data System (ADS)

Pantaleo, G. E.; Martínez Fernández, A.; Paytan, A.

2016-12-01

As ocean conditions continue to change, marine ecosystems are significantly impacted. Many calcifying organisms are being affected by the gradual changes in ocean pH and temperature that continue to occur over time. Corals are organisms that engage in a symbiotic relationship with Symbiodinium dinoflagellates (zooxanthellae). Symbiodinium are responsible for photosynthetic activity within oligotrophic waters. Corals depend on high levels of aragonite saturation state of seawater in order to build their skeletal structure. Most corals have a relatively narrow optimal range of temperature and pH in which they thrive. However, it is thought that corals residing in the Gulf of Aqaba (Red Sea) are resilient to the effects of increasing temperature. Stylophora pistillata's response to environmental impacts was tested via a simulation of ocean conditions at a high temperature and high CO2 emission scenario (pH 7.65) and lower CO2 emission scenario (pH 7.85) that are predicted for the end of this century. We present the difference in zooxanthellae density following a short term experiment where corals were placed in seawater tanks at pH 7.65, 7.85 and 8.1 and temperature was increased by 4 degrees C above seawater temperature in order to measure the response of Stylophora pistillata to potential future ocean conditions.

Inner magnetospheric electron temperature and spacecraft potential estimated from concurrent Polar upper hybrid frequency and relative potential measurements

NASA Astrophysics Data System (ADS)

Boardsen, S. A.; Adrian, M. L.; Pfaff, R.; Menietti, J. D.

2014-10-01

Direct measurement of low < 1 eV electron temperature is difficult to make in the Earth's inner magnetosphere for electron densities (Ne) < 3 × 102 cm-3. We compute these quantities by solving current balance equations in low-density regions. Concurrent measurements from the Polar spacecraft of the relative potential (VS - VP), between the spacecraft body and the electric field probe, and the electron density (Ne), derived from upper hybrid frequency (fUHR), were used in the current balance equations to solve for the electron temperature (Te), Vs, and Vp. Where VP is the probe potential and VS is the spacecraft potential relative to the nearby plasma. The assumption that the bulk plasma electrons are Maxwellian is used in the computations. Our data set covered 1.5 years of measurements when fUHR was detectable (L < 10). The following "averaged" Te versus L relation for 3 < L < 5 was obtained: Te = 0.58 + 0.49 (L - 3) eV. This expression is in reasonable agreement with extrapolations of ionospheric Te measurements by Akebono at lower altitudes. However, the solution is sensitive to the photoemission coefficients, substituting those of Scudder et al. (2000) with those of Escoubet et al. (1997), the Te curve shifted upward by ~1 eV. Also, the solution is sensitive to measurement error of VS - VP, applying a voltage shift of ±0.1 and ±0.2 V to VS - VP, the relative median error for our data set was computed to be 0.27 and 1.04, respectively. We believe that our Te values computed outside the plasmasphere are unrealistically low. We conclude that this method shows promise inside the plasmasphere but should be used with caution. We also quantified the Ne versus VS - VP relationship. The running median Ne versus VS - VP curve shows no significant variation over the 1.5 year period of the data set, suggesting that the photoemission coefficients did not change significantly over this time span. The Scudder et al. (2000) Ne model, based on only one Polar orbit, is in reasonable agreement (within a factor of 2) with our results.

Characterization of Optimum Physiological Responses of Field-Grown Loblolly Pine

Treesearch

Zhenmin Tang; Jim L. Chambers; James P. Barnett

1999-01-01

Photosynthetic photon flux density (PPFD), air temperature (Ta), needle net photosynthesis (Pn), vapor pressure difference (VPD), stomata1 conductance (gw), transpiration (E), and predawn and daytime xylem pressure potentials (XPP) were measured in a loblolly pine (Pinus taeda L.) plantation in 1995 and 1996. Boundary-line analyses were conducted...

Temperature of maximum density and excess thermodynamics of aqueous mixtures of methanol

DOE Office of Scientific and Technical Information (OSTI.GOV)

González-Salgado, D.; Zemánková, K.; Noya, E. G.

In this work, we present a study of representative excess thermodynamic properties of aqueous mixtures of methanol over the complete concentration range, based on extensive computer simulation calculations. In addition to test various existing united atom model potentials, we have developed a new force-field which accurately reproduces the excess thermodynamics of this system. Moreover, we have paid particular attention to the behavior of the temperature of maximum density (TMD) in dilute methanol mixtures. The presence of a temperature of maximum density is one of the essential anomalies exhibited by water. This anomalous behavior is modified in a non-monotonous fashion bymore » the presence of fully miscible solutes that partly disrupt the hydrogen bond network of water, such as methanol (and other short chain alcohols). In order to obtain a better insight into the phenomenology of the changes in the TMD of water induced by small amounts of methanol, we have performed a new series of experimental measurements and computer simulations using various force fields. We observe that none of the force-fields tested capture the non-monotonous concentration dependence of the TMD for highly diluted methanol solutions.« less

Bio-based Polymer Foam from Soyoil

NASA Astrophysics Data System (ADS)

Bonnaillie, Laetitia M.; Wool, Richard P.

2006-03-01

The growing bio-based polymeric foam industry is presently lead by plant oil-based polyols for polyurethanes and starch foams. We developed a new resilient, thermosetting foam system with a bio-based content higher than 80%. The acrylated epoxidized soybean oil and its fatty acid monomers is foamed with pressurized carbon dioxide and cured with free-radical initiators. The foam structure and pore dynamics are highly dependent on the temperature, viscosity and extent of reaction. Low-temperature cure hinds the destructive pore coalescence and the application of a controlled vacuum results in foams with lower densities ˜ 0.1 g/cc, but larger cells. We analyze the physics of foam formation and stability, as well as the structure and mechanical properties of the cured foam using rigidity percolation theory. The parameters studied include temperature, vacuum applied, and cross-link density. Additives bring additional improvements: nucleating agents and surfactants help produce foams with a high concentration of small cells and low bulk density. Hard and soft thermosetting foams with a bio content superior to 80% are successfully produced and tested. Potential applications include foam-core composites for hurricane-resistant housing, structural reinforcement for windmill blades, and tissue scaffolds.

Energy-storage properties and electrocaloric effect of Pb(1-3x/2)LaxZr0.85Ti0.15O3 antiferroelectric thick films.

PubMed

Zhao, Ye; Hao, Xihong; Zhang, Qi

2014-07-23

Antiferroelectric (AFE) thick (1 μm) films of Pb(1-3x/2)LaxZr0.85Ti0.15O3 (PLZT) with x = 0.08, 0.10, 0.12, and 0.14 were deposited on LaNiO3/Si (100) substrates by a sol-gel method. The dielectric properties, energy-storage performance, electrocaloric effect, and leakage current behavior were investigated in detail. With increasing La content, dielectric constant and saturated polarizations of the thick films were gradually decreased. A maximum recoverable energy-storage density of 38 J/cm(3) and efficiency of 71% were achieved in the thick films with x = 0.12 at room temperature. A large reversible adiabatic temperature change of ΔT = 25.0 °C was presented in the thick films with x = 0.08 at 127 °C at 990 kV/cm. Moreover, all the samples had a lower leakage current density below 10(-6) A/cm(2) at room temperature. These results indicated that the PLZT AFE thick films could be a potential candidate for applications in high energy-storage density capacitors and cooling devices.

Thermodynamic neutral density: A new physically-based, energy-constrained, materially conserved neutral density variable for quantifying mixing and tracking water masses in the ocean

NASA Astrophysics Data System (ADS)

Tailleux, R.

2016-02-01

A new materially-conserved quasi-neutral density variable has been constructed, called thermodynamic neutral density. It is composed of two parts. The first part is the Lorenz reference density entering Lorenz theory of available potential energy, which can be interpreted as the potential density of a fluid parcel referenced to the pressure it would have in Lorenz reference state of minimum potential energy. The second part is an empirical correction for pressure, which can be suitably chosen to make thermodynamic neutral density a very good approximation of Jackett and McDougall (1997) neutral density over most of the ocean water masses for which the latter is defined. Thermodynamic neutral density possesses many advantages over the empirically constructed Jackett and McDougall (1997) neutral density: 1) it is physically-based; 2) it is easily computed using fast and efficient methods for arbitrary states of the ocean, not just the present state, using the recently developed methodology by Saenz et al. (2015); 3) it is exactly neutral in a state of rest, and approximately neutral in the present ocean; 4) it is exactly materially conserved (it is a function of salinity and potential temperature only) and not plagued by unphysical nonmaterial effects, so can be used unambiguously to define and diagnose diapycnal and isopycnal mixing; 5) it is based on available potential energy, and therefore is the most suitable variable to discuss the energy cost of adiabatic stirring; 6) it is the variable that should be used to define the isopycnal and diapycnal directions in rotated diffusion tensor, as it can be shown that using the directions defined by the local neutral tangent plane as currently done causes spurious destruction of water masses. References: J. A. Saenz, R. Tailleux, E.D. Butler, G.O. Hughes, and K.I.C. Oliver, 2015: Estimating Lorenz's reference state in an ocean with a nonlinear equation of state for seawater. J. Phys. Oceanogr., 45, 1242—1257

Carbon carry capacity and carbon sequestration potential in China based on an integrated analysis of mature forest biomass.

PubMed

Liu, YingChun; Yu, GuiRui; Wang, QiuFeng; Zhang, YangJian; Xu, ZeHong

2014-12-01

Forests play an important role in acting as a carbon sink of terrestrial ecosystem. Although global forests have huge carbon carrying capacity (CCC) and carbon sequestration potential (CSP), there were few quantification reports on Chinese forests. We collected and compiled a forest biomass dataset of China, a total of 5841 sites, based on forest inventory and literature search results. From the dataset we extracted 338 sites with forests aged over 80 years, a threshold for defining mature forest, to establish the mature forest biomass dataset. After analyzing the spatial pattern of the carbon density of Chinese mature forests and its controlling factors, we used carbon density of mature forests as the reference level, and conservatively estimated the CCC of the forests in China by interpolation methods of Regression Kriging, Inverse Distance Weighted and Partial Thin Plate Smoothing Spline. Combining with the sixth National Forest Resources Inventory, we also estimated the forest CSP. The results revealed positive relationships between carbon density of mature forests and temperature, precipitation and stand age, and the horizontal and elevational patterns of carbon density of mature forests can be well predicted by temperature and precipitation. The total CCC and CSP of the existing forests are 19.87 and 13.86 Pg C, respectively. Subtropical forests would have more CCC and CSP than other biomes. Consequently, relying on forests to uptake carbon by decreasing disturbance on forests would be an alternative approach for mitigating greenhouse gas concentration effects besides afforestation and reforestation.

Linking potential heat source and sink to urban heat island: Heterogeneous effects of landscape pattern on land surface temperature.

PubMed

Li, Weifeng; Cao, Qiwen; Lang, Kun; Wu, Jiansheng

2017-05-15

Rapid urbanization has significantly contributed to the development of urban heat island (UHI). Regulating landscape composition and configuration would help mitigate the UHI in megacities. Taking Shenzhen, China, as a case study area, we defined heat source and heat sink and identified strong and weak sources as well as strong and weak sinks according to the natural and socioeconomic factors influencing land surface temperature (LST). Thus, the potential thermal contributions of heat source and heat sink patches were differentiated. Then, the heterogeneous effects of landscape pattern on LST were examined by using semiparametric geographically weighted regression (SGWR) models. The results showed that landscape composition has more significant effects on thermal environment than configuration. For a strong source, the percentage of patches has a positive impact on LST. Additionally, when mosaicked with some heat sink, even a small improvement in the degree of dispersion of a strong source helps to alleviate UHI. For a weak source, the percentage and density of patches have positive impacts on LST. For a strong sink, the percentage, density, and degree of aggregation of patches have negative impacts on LST. The effects of edge density and patch shape complexity vary spatially with the fragmentation of a strong sink. Similarly, the impacts of a weak sink are mainly exerted via the characteristics of percent, density, and shape complexity of patches. Copyright © 2017 Elsevier B.V. All rights reserved.

Molecular simulation of CO chemisorption on Co(0001) in presence of supercritical fluid solvent: A potential of mean force study

NASA Astrophysics Data System (ADS)

Asiaee, Alireza; Benjamin, Kenneth M.

2016-08-01

For several decades, heterogeneous catalytic processes have been improved through utilizing supercritical fluids (SCFs) as solvents. While numerous experimental studies have been established across a range of chemistries, such as oxidation, pyrolysis, amination, and Fischer-Tropsch synthesis, still there is little fundamental, molecular-level information regarding the role of the SCF on elementary heterogeneous catalytic steps. In this study, the influence of hexane solvent on the adsorption of carbon monoxide on Co(0001), as the first step in the reaction mechanism of many processes involving syngas conversion, is probed. Simulations are performed at various bulk hexane densities, ranging from ideal gas conditions (no SCF hexane) to various near- and super-critical hexane densities. For this purpose, both density functional theory and molecular dynamics simulations are employed to determine the adsorption energy and free energy change during CO chemisorption. Potential of mean force calculations, utilizing umbrella sampling and the weighted histogram analysis method, provide the first commentary on SCF solvent effects on the energetic aspects of the chemisorption process. Simulation results indicate an enhanced stability of CO adsorption on the catalyst surface in the presence of supercritical hexane within the reduced pressure range of 1.0-1.5 at a constant temperature of 523 K. Furthermore, it is shown that the maximum stability of CO in the adsorbed state as a function of supercritical hexane density at 523 K nearly coincides with the maximum isothermal compressibility of bulk hexane at this temperature.

Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory.

PubMed

Franco-Pérez, Marco; Ayers, Paul W; Gázquez, José L; Vela, Alberto

2017-05-31

In this work we establish a new temperature dependent procedure within the grand canonical ensemble, to avoid the Dirac delta function exhibited by some of the second order chemical reactivity descriptors based on density functional theory, at a temperature of 0 K. Through the definition of a local chemical potential designed to integrate to the global temperature dependent electronic chemical potential, the local chemical hardness is expressed in terms of the derivative of this local chemical potential with respect to the average number of electrons. For the three-ground-states ensemble model, this local hardness contains a term that is equal to the one intuitively proposed by Meneses, Tiznado, Contreras and Fuentealba, which integrates to the global hardness given by the difference in the first ionization potential, I, and the electron affinity, A, at any temperature. However, in the present approach one finds an additional temperature-dependent term that introduces changes at the local level and integrates to zero. Additionally, a τ-hard dual descriptor and a τ-soft dual descriptor given in terms of the product of the global hardness and the global softness multiplied by the dual descriptor, respectively, are derived. Since all these reactivity indices are given by expressions composed of terms that correspond to products of the global properties multiplied by the electrophilic or nucleophilic Fukui functions, they may be useful for studying and comparing equivalent sites in different chemical environments.

Uranium phase diagram from first principles

NASA Astrophysics Data System (ADS)

Yanilkin, Alexey; Kruglov, Ivan; Migdal, Kirill; Oganov, Artem; Pokatashkin, Pavel; Sergeev, Oleg

2017-06-01

The work is devoted to the investigation of uranium phase diagram up to pressure of 1 TPa and temperature of 15 kK based on density functional theory. First of all the comparison of pseudopotential and full potential calculations is carried out for different uranium phases. In the second step, phase diagram at zero temperature is investigated by means of program USPEX and pseudopotential calculations. Stable and metastable structures with close energies are selected. In order to obtain phase diagram at finite temperatures the preliminary selection of stable phases is made by free energy calculation based on small displacement method. For remaining candidates the accurate values of free energy are obtained by means of thermodynamic integration method (TIM). For this purpose quantum molecular dynamics are carried out at different volumes and temperatures. Interatomic potentials based machine learning are developed in order to consider large systems and long times for TIM. The potentials reproduce the free energy with the accuracy 1-5 meV/atom, which is sufficient for prediction of phase transitions. The equilibrium curves of different phases are obtained based on free energies. Melting curve is calculated by modified Z-method with developed potential.

Ion Temperature Measurements in an electron beam ion trap (EBIT)

NASA Astrophysics Data System (ADS)

Beiersdorfer, P.; Decaux, V.; Widmann, K.

1997-11-01

An electron beam ion trap consists of a Penning-type cylindrical trap traversed by a high-energy (<= 200 keV), high-density (Ne <= 10^13 cm-3) electron beam. Ions are trapped by the space charge potential of the electron beam, a static potential on the end electrodes, and a 3-T axial magnetic field [1]. The ions are heated by the electron beam and leave the trap once their kinetic energy suffices to overcome the potential barriers. Using high-resolution x-ray spectroscopy, we have made systematic measurements of the temperature of Ti^20+ and Cs^45+ ions in the trap [2]. The dependence of the ion temperature on operating parameters, such as trapping potential, beam current, and neutral gas pressure, will be presented. Temperatures as low as 15.4 ± 4.4 eV and as high as 2 keV were observed. *Work performed under the auspices of the U.S.D.o.E. by Lawrence Livermore National Laboratory under contract No. W-7405-ENG-48. [1] M. Levine et al., Phys. Scripta T22, 157 (1989). [2]P. Beiersdorfer et al., PRL 77, 5356 (1996); P. Beiersdorfer, in AIP Conf. Proc. No. 389, p. 121 (1997).

Effect of attractive interactions on the water-like anomalies of a core-softened model potential.

PubMed

Pant, Shashank; Gera, Tarun; Choudhury, Niharendu

2013-12-28

It is now well established that water-like anomalies can be reproduced by a spherically symmetric potential with two length scales, popularly known as core-softened potential. In the present study we aim to investigate the effect of attractive interactions among the particles in a model fluid interacting with core-softened potential on the existence and location of various water-like anomalies in the temperature-pressure plane. We employ extensive molecular dynamic simulations to study anomalous nature of various order parameters and properties under isothermal compression. Order map analyses have also been done for all the potentials. We observe that all the systems with varying depth of attractive wells show structural, dynamic, and thermodynamic anomalies. As many of the previous studies involving model water and a class of core softened potentials have concluded that the structural anomaly region encloses the diffusion anomaly region, which in turn, encloses the density anomaly region, the same pattern has also been observed in the present study for the systems with less depth of attractive well. For the systems with deeper attractive well, we observe that the diffusion anomaly region shifts toward higher densities and is not always enclosed by the structural anomaly region. Also, density anomaly region is not completely enclosed by diffusion anomaly region in this case.

Axial distribution of plasma fluctuations, plasma parameters, deposition rate and grain size during copper deposition

NASA Astrophysics Data System (ADS)

Gopikishan, S.; Banerjee, I.; Pathak, Anand; Mahapatra, S. K.

2017-08-01

Floating potential fluctuations, plasma parameters and deposition rate have been investigated as a function of axial distance during deposition of copper in direct current (DC) magnetron sputtering system. Fluctuations were analyzed using phase space, power spectra and amplitude bifurcation plots. It has been observed that the fluctuations are modified from chaotic to ordered state with increase in the axial distance from cathode. Plasma parameters such as electron density (ne), electron temperature (Te) and deposition rate (Dr) were measured and correlated with plasma fluctuations. It was found that more the deposition rate, greater the grain size, higher the electron density, higher the electron temperature and more chaotic the oscillations near the cathode. This observation could be helpful to the thin film technology industry to optimize the required film.

Synthesis and development of low cost, high temperature N-arylene polybenzimidazole foam material

NASA Technical Reports Server (NTRS)

Harrison, E. S.

1975-01-01

Polymer (and foam) studies followed two basic routes: (1) formation of high molecular weight uncyclized polyamide followed by subsequent fusion and cyclodehydration to yield NABI (foam) and (2) polymer and foam formation by reaction of diphenyl esters (or anhydrides) with the tetramine. The latter route was found much more attractive since considerable versatility in both basic polymer structure and crosslinkability is achievable. Preliminary studies on BAB, phthalic anhydride (PA), and 3, 3 (prime), 4, 4(prime) benzo pheno netetracarboxylic acid dianhydride (BTDA) as crosslinked polymer precursors were conducted. Nonmelting rigid char forming foams with densities as low as 2.7 lb/cubic ft. were achieved. The program was successful in the preparation of a potentially low cost, low density, high char yield, high temperature foam material.

Lattice QCD at finite temperature and density from Taylor expansion

NASA Astrophysics Data System (ADS)

Steinbrecher, Patrick

2017-01-01

In the first part, I present an overview of recent Lattice QCD simulations at finite temperature and density. In particular, we discuss fluctuations of conserved charges: baryon number, electric charge and strangeness. These can be obtained from Taylor expanding the QCD pressure as a function of corresponding chemical potentials. Our simulations were performed using quark masses corresponding to physical pion mass of about 140 MeV and allow a direct comparison to experimental data from ultra-relativistic heavy ion beams at hadron colliders such as the Relativistic Heavy Ion Collider at Brookhaven National Laboratory and the Large Hadron Collider at CERN. In the second part, we discuss computational challenges for current and future exascale Lattice simulations with a focus on new silicon developments from Intel and NVIDIA.

Thermoelectric Properties of Complex Oxide Heterostructures

NASA Astrophysics Data System (ADS)

Cain, Tyler Andrew

Thermoelectrics are a promising energy conversion technology for power generation and cooling systems. The thermal and electrical properties of the materials at the heart of thermoelectric devices dictate conversion efficiency and technological viability. Studying the fundamental properties of potentially new thermoelectric materials is of great importance for improving device performance and understanding the electronic structure of materials systems. In this dissertation, investigations on the thermoelectric properties of a prototypical complex oxide, SrTiO3, are discussed. Hybrid molecular beam epitaxy (MBE) is used to synthesize La-doped SrTiO3 thin films, which exhibit high electron mobilities and large Seebeck coefficients resulting in large thermoelectric power factors at low temperatures. Large interfacial electron densities have been observed in SrTiO3/RTiO 3 (R=Gd,Sm) heterostructures. The thermoelectric properties of such heterostructures are investigated, including the use of a modulation doping approach to control interfacial electron densities. Low-temperature Seebeck coefficients of extreme electron-density SrTiO3 quantum wells are shown to provide insight into their electronic structure.

Global and critical test of the perturbation density-functional theory based on extensive simulation of Lennard-Jones fluid near an interface and in confined systems.

PubMed

Zhou, Shiqi; Jamnik, Andrej

2005-09-22

The structure of a Lennard-Jones (LJ) fluid subjected to diverse external fields maintaining the equilibrium with the bulk LJ fluid is studied on the basis of the third-order+second-order perturbation density-functional approximation (DFA). The chosen density and potential parameters for the bulk fluid correspond to the conditions situated at "dangerous" regions of the phase diagram, i.e., near the critical temperature or close to the gas-liquid coexistence curve. The accuracy of DFA predictions is tested against the results of a grand canonical ensemble Monte Carlo simulation. It is found that the DFA theory presented in this work performs successfully for the nonuniform LJ fluid only on the condition of high accuracy of the required bulk second-order direct correlation function. The present report further indicates that the proposed perturbation DFA is efficient and suitable for both supercritical and subcritical temperatures.

High Energy Storage Density and Impedance Response of PLZT2/95/5 Antiferroelectric Ceramics

PubMed Central

Li, Bi; Liu, Qiuxiang; Tang, Xingui; Zhang, Tianfu; Jiang, Yanping; Li, Wenhua; Luo, Jie

2017-01-01

(Pb0.97La0.02)(Zr0.95Ti0.05)O3 (PLZT2/95/5) ceramics were successfully prepared via a solid-state reaction route. The dielectric properties were investigated in the temperature region of 26–650 °C. The dielectric diffuse anomaly in the dielectric relaxation was found in the high temperature region of 600–650 °C with increasing the measuring frequency, which was related to the dynamic thermal process of ionized oxygen vacancies generated in the high temperature. Two phase transition points were detected during heating, which were found to coexist from 150 to 200 °C. Electric field induced ferroelectric to antiferroelectric phase transition behavior of the (Pb0.97La0.02)(Zr0.95Ti0.05)O3 ceramics was investigated in this work with an emphasis on energy storage properties. A recoverable energy-storage density of 0.83 J/cm3 and efficiency of 70% was obtained in (Pb0.97La0.02)(Zr0.95Ti0.05)O3 ceramics at 55 kV/cm. Based on these results, (Pb0.97La0.02)(Zr0.95Ti0.05)O3 ceramics with a large recoverable energy-storage density could be a potential candidate for the applications in high energy-storage density ceramic capacitors. PMID:28772503

QCD equation of state at nonzero chemical potential: continuum results with physical quark masses at order μ 2

NASA Astrophysics Data System (ADS)

Borsányi, Sz.; Endrődi, G.; Fodor, Z.; Katz, S. D.; Krieg, S.; Ratti, C.; Szabó, K. K.

2012-08-01

We determine the equation of state of QCD for nonzero chemical potentials via a Taylor expansion of the pressure. The results are obtained for N f = 2 + 1 flavors of quarks with physical masses, on various lattice spacings. We present results for the pressure, interaction measure, energy density, entropy density, and the speed of sound for small chemical potentials. At low temperatures we compare our results with the Hadron Resonance Gas model. We also express our observables along trajectories of constant entropy over particle number. A simple parameterization is given (the Matlab/Octave script parameterization.m, submitted to the arXiv along with the paper), which can be used to reconstruct the observables as functions of T and μ, or as functions of T and S/N.

Reproductive ecology and stand structure of Joshua tree forests across climate gradients of the Mojave Desert

PubMed Central

Hoines, Joshua

2018-01-01

Climate change is restructuring plant populations and can result in range shifts depending on responses at various life stages of plants. In 2013, a widespread and episodic flowering event provided an opportunity to characterize how Joshua tree’s reproductive success and population structure vary in response to the climate variability across its range. We examined the reproductive success and stand structure of 10 Joshua tree populations distributed across the Mojave Desert. Joshua tree density varied by more than an order of magnitude across sites. At 8 of the 10 sites, nearly 80% of the Joshua trees were in bloom, and at the other two 40% were in bloom. The range of seed production and fruit set across the study populations varied by more than an order of magnitude. Fruit production occurred at all of our study sites suggesting that yucca moth pollinators were present at our sites. Increasing temperature had strong positive correlations with the number of trees in bloom (R2 = 0.42), inflorescences per tree (R2 = 0.37), and fruit mass (R2 = 0.77) and seed size (R2 = 0.89. In contrast, temperature was negatively correlated with Joshua tree stand density (R2 = -0.80). Positive correlations between temperature and greater flower and seed production suggest that warming may positively affect Joshua Tree reproduction while negative relationships between temperature and stand density are suggestive of potential constraints of warmer temperatures on establishment success. PMID:29474414

Reproductive ecology and stand structure of Joshua tree forests across climate gradients of the Mojave Desert.

PubMed

St Clair, Samuel B; Hoines, Joshua

2018-01-01

Climate change is restructuring plant populations and can result in range shifts depending on responses at various life stages of plants. In 2013, a widespread and episodic flowering event provided an opportunity to characterize how Joshua tree's reproductive success and population structure vary in response to the climate variability across its range. We examined the reproductive success and stand structure of 10 Joshua tree populations distributed across the Mojave Desert. Joshua tree density varied by more than an order of magnitude across sites. At 8 of the 10 sites, nearly 80% of the Joshua trees were in bloom, and at the other two 40% were in bloom. The range of seed production and fruit set across the study populations varied by more than an order of magnitude. Fruit production occurred at all of our study sites suggesting that yucca moth pollinators were present at our sites. Increasing temperature had strong positive correlations with the number of trees in bloom (R2 = 0.42), inflorescences per tree (R2 = 0.37), and fruit mass (R2 = 0.77) and seed size (R2 = 0.89. In contrast, temperature was negatively correlated with Joshua tree stand density (R2 = -0.80). Positive correlations between temperature and greater flower and seed production suggest that warming may positively affect Joshua Tree reproduction while negative relationships between temperature and stand density are suggestive of potential constraints of warmer temperatures on establishment success.

Dissipative properties of hot and dense hadronic matter in an excluded-volume hadron resonance gas model

NASA Astrophysics Data System (ADS)

Kadam, Guru Prakash; Mishra, Hiranmaya

2015-09-01

We estimate dissipative properties, viz., shear and bulk viscosities of hadronic matter using relativistic Boltzmann equation in relaxation time approximation within the framework of excluded-volume hadron resonance gas (EHRG) model. We find that at zero baryon chemical potential the shear viscosity to entropy ratio (η /s ) decreases with temperature while at finite baryon chemical potential this ratio shows the same behavior as a function of temperature but reaches close to the Kovtun-Son-Starinets (KSS) bound. Further along the chemical freezeout curve, ratio η /s is almost constant apart from small initial monotonic rise. This observation may have some relevance to the experimental finding that the differential elliptic flow of charged hadrons does not change considerably at lower center-of-mass energy. We further find that bulk viscosity to entropy density (ζ /s ) decreases with temperature while this ratio has higher value at finite baryon chemical potential at higher temperature. Along the freezeout curve ζ /s decreases monotonically at lower center-of-mass energy and then saturates.

Van der Waals model for phase transitions in thermoresponsive surface films.

PubMed

McCoy, John D; Curro, John G

2009-05-21

Phase transitions in polymeric surface films are studied with a simple model based on the van der Waals equation of state. Each chain is modeled by a single bead attached to the surface by an entropic-Hooke's law spring. The surface coverage is controlled by adjusting the chemical potential, and the equilibrium density profile is calculated with density functional theory. The interesting feature of this model is the multivalued nature of the density profile seen at low temperature. This van der Waals loop behavior is resolved with a Maxwell construction between a high-density phase near the wall and a low-density phase in a "vertical" phase transition. Signatures of the phase transition in experimentally measurable quantities are then found. Numerical calculations are presented for isotherms of surface pressure, for the Poisson ratio, and for the swelling ratio.

Neutral surfaces and potential vorticity in the world's oceans

NASA Astrophysics Data System (ADS)

You, Yuzhu; McDougall, Trevor J.

1990-08-01

Several neutral surfaces are mapped in this paper and their properties are contrasted with those of potential density surfaces. It is shown that the Pacific is relatively forgiving to the use of potential density, while more care must be taken in the Atlantic and Indian oceans because of the larger compensating lateral gradients of potential temperature and salinity along neutral surfaces in these oceans. The dynamically important tracer, neutral-surface potential vorticity (NSPV), defined to be proportional to f/h (where f is the Coriolis frequency and h is the height between two neutral surfaces), is mapped on several neutral surfaces in each of the world's oceans. At a depth of 1000m in the Atlantic and Indian oceans, the epineutral gradient of NSPV is different to the isopycnal variations of fN2 by as much as a factor of two (here N is the buoyancy frequency). Maps of isopycnal potential vorticity (IPV) resemble those of fN2, but the values of IPV are less by the simple factor μ, defined by μ = c[Rρ-1]/[Rρ-c], where Rρ is the stability ratio of the water column and c is the ratio of the values of α/β at the in situ pressure to that at the reference pressure (α and β being the thermal expansion and saline contraction coefficients, respectively). Layered models of the ocean circulation often take the vertical shear between layers (the thermal wind) to be given by the product of the interface slope and the contrast of potential density across the interface. The true thermal wind equation involves the interfaeial difference of in situ density, which is larger than the corresponding difference of potential density by the factor μ that is mapped in this paper, taking values up to 1.25 at a depth of 1000 m. This implies that the thermal wind is currently underestimated by up to 25% in layered ocean models. The differences between the slopes of neutral surfaces and potential density surfaces can be quantified Using the factory μ. The magnitudes of these slopes are illustrated here with contour maps and with vertical profiles, One would think that by choosing the reference pressure of potential density to be at the central pressure of a data set, the conservation equation of potential vorticity could be expressed with respect to these potential density surfaces with sufficient accuracy. Here it is shown that even the best potential density variable is significantly in error at thermoclinic frontal regions. This is linked to the fact that diapycnal velocities are not simply due to vertical mixing processes, but are also partly caused by epineutral mixing.

How will species respond to climate change? Examining the effects of temperature and population density on an herbivorous insect.

PubMed

Laws, Angela Nardoni; Belovsky, Gary E

2010-04-01

An important challenge facing ecologists is to understand how climate change may affect species performance and species interactions. However, predicting how changes in abiotic variables associated with climate change may affect species performance also depends on the biotic context, which can mediate species responses to climatic change. We conducted a 3-yr field experiment to determine how the herbivorous grasshopper Camnula pellucida (Scudder) responds to manipulations of temperature and population density. Grasshopper survival and fecundity decreased with density, indicating the importance of intraspecific competition. Female fecundity tended to increase with temperature, whereas grasshopper survival exhibited a unimodal response to temperature, with highest survival at intermediate temperatures. Grasshopper performance responses to temperature also depended on density. Peak survival in the low-density treatment occurred in warmer conditions than for the high-density treatment, indicating that the intensity of intraspecific competition varies with temperature. Our data show that changes to the temperature regimen can alter grasshopper performance and determine the intensity of intraspecific competition. However, the effects of temperature on grasshopper performance varied with density. Our data indicate the importance of the biotic context in mediating species responses to climatic factors associated with global change.

Floating Potential Probe Langmuir Probe Data Reduction Results

NASA Technical Reports Server (NTRS)

Morton, Thomas L.; Minow, Joseph I.

2002-01-01

During its first five months of operations, the Langmuir Probe on the Floating Potential Probe (FPP) obtained data on ionospheric electron densities and temperatures in the ISS orbit. In this paper, the algorithms for data reduction are presented, and comparisons are made of FPP data with ground-based ionosonde and Incoherent Scattering Radar (ISR) results. Implications for ISS operations are detailed, and the need for a permanent FPP on ISS is examined.

Application of Snowfall and Wind Statistics to Snow Transport Modeling for Snowdrift Control in Minnesota.

NASA Astrophysics Data System (ADS)

Shulski, Martha D.; Seeley, Mark W.

2004-11-01

Models were utilized to determine the snow accumulation season (SAS) and to quantify windblown snow for the purpose of snowdrift control for locations in Minnesota. The models require mean monthly temperature, snowfall, density of snow, and wind frequency distribution statistics. Temperature and precipitation data were obtained from local cooperative observing sites, and wind data came from Automated Surface Observing System (ASOS)/Automated Weather Observing System (AWOS) sites in the region. The temperature-based algorithm used to define the SAS reveals a geographic variability in the starting and ending dates of the season, which is determined by latitude and elevation. Mean seasonal snowfall shows a geographic distribution that is affected by topography and proximity to Lake Superior. Mean snowfall density also exhibits variability, with lower-density snow events displaced to higher-latitude positions. Seasonal wind frequencies show a strong bimodal distribution with peaks from the northwest and southeast vector direction, with an exception for locations in close proximity to the Lake Superior shoreline. In addition, for western and south-central Minnesota there is a considerably higher frequency of wind speeds above the mean snow transport threshold of 7 m s-1. As such, this area is more conducive to higher potential snow transport totals. Snow relocation coefficients in this area are in the range of 0.4 0.9, and, according to the empirical models used in this analysis, this range implies that actual snow transport is 40% 90% of the total potential in south-central and western areas of the state.

Consideration of Conductive Motor Winding Materials at Room and Elevated Temperatures

NASA Technical Reports Server (NTRS)

de Groh, Henry C., III

2015-01-01

A brief history of conductive motor winding materials is presented, comparing various metal motor winding materials and their properties in terms of conductivity, density and cost. The proposed use of carbon nanotubes (CNTs) and composites incorporating CNTs is explored as a potential way to improve motor winding conductivity, density, and reduce motor size which are important to electric aircraft technology. The conductivity of pure Cu, a CNT yarn, and a dilute Cu-CNT composite was measured at room temperature and at several temperatures up to 340 C. The conductivity of the Cu-CNT composite was about 3 percent lower than pure copper's at all temperatures measured. The conductivity of the CNT yarn was about 200 times lower than copper's, however, the yarn's conductivity dropped less with increasing temperature compared to Cu. It is believed that the low conductivity of the yarn is due primarily to high interfacial resistances and the presence of CNTs with low, semiconductor like electrical properties (s-CNT). It is believed the conductivity of the CNT-Cu composite could be improved by not using s-CNT, and instead using only CNTs with high, metallic like electrical properties (m-CNT); and by increasing the vol% m-CNTs.

Development of graphite foam infiltrated with MgCl 2 for a latent heat based thermal energy storage (LHTES) system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Dileep; Kim, Taeil; Zhao, Weihuan

Thermal energy storage (TES) systems that are compatible with high temperature power cycles for concentrating solar power (CSP) require high temperature media for transporting and storing thermal energy. To that end, TES systems have been proposed based on the latent heat of fusion of the phase change materials (PCMs). However, PCMs have relatively low thermal conductivities. In this paper, use of high-thermal-conductivity graphite foam infiltrated with a PCM (MgCl2) has been investigated as a potential TES system. Graphite foams with two porosities were infiltrated with MgCl2. The infiltrated composites were evaluated for density, heat of fusion, melting/freezing temperatures, and thermalmore » diffusivities. Estimated thermal conductivities of MgCl2/graphite foam composites were significantly higher than those of MgCl2 alone over the measured temperature range. Furthermore, heat of fusion, melting/freezing temperatures, and densities showed comparable values to those of pure MgCl2. Results of this study indicate that MgCl2/graphite foam composites show promise as storage media for a latent heat thermal energy storage system for CSP applications.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gul, R., E-mail: rubi786@yahoo.com; Alabama A&M University, Normal AL, 35762; Cui, Y.

With the global shortage of {sup 3}He gas, researchers worldwide are looking for alternative materials for detecting neutrons. Among the candidate materials, semiconductors are attractive because of their light weight and ease in handling. Currently, we are looking into the suitability of boron arsenide (B{sub 12}As{sub 2}) for this specific application. As the first step in evaluating the material qualitatively, the photo-response of B{sub 12}As{sub 2} bulk crystals to light with different wavelengths was examined. The crystals showed photocurrent response to a band of 407- and 470- nm blue light. The maximum measured photoresponsivity and the photocurrent density at 0.7more » V for 470 nm blue light at room temperature were 0.25 A ⋅ W{sup −1} and 2.47 mA ⋅ cm{sup −2}, respectively. In addition to photo current measurements, the electrical properties as a function of temperature (range: 50-320 K) were measured. Reliable data were obtained for the low-temperature I-V characteristics, the temperature dependence of dark current and its density, and the resistivity variations with temperature in B{sub 12}As{sub 2} bulk crystals. The experiments showed an exponential dependence on temperature for the dark current, current density, and resistivity; these three electrical parameters, respectively, had a variation of a few nA to μA, 1-100 μA ⋅ cm{sup −2} and 7.6x10{sup 5}-7.7x10{sup 3} Ω ⋅ cm, for temperature increasing from 50 K to 320 K. The results from this study reported the first photoresponse and demonstrated that B{sub 12}As{sub 2} is a potential candidate for thermal-neutron detectors.« less

Physical properties of molybdenum monoboride: Ab-initio study

NASA Astrophysics Data System (ADS)

Rajpoot, Priyanka; Rastogi, Anugya; Verma, U. P.

2018-02-01

The Ab initio investigations on structural, electronic, optical and thermal properties of MoB have been reported using full potential linearised-augmented plane wave method within the framework of density functional theory. The exchange and correlation potentials were calculated using the Perdew-Burke-Ernzerhof-Sol generalised gradient approximation. The calculated equilibrium lattice constants and cell volume are in excellent agreement with the experimental results as compared to the available theoretical data. Electronic band structure shows that MoB is metallic in nature. From the partial densities of states of MoB it has been found that major contribution on the Fermi level is due to Mo-4d states. Among the reported optical parameters the large value of reflectivity at low energy shows that MoB can be used as a coating material in IR region. Maximum absorption in extreme UV region shows that it can be used in production of electricity through solar power in space vehicles. Various thermal properties have been calculated in a wide temperature range at high pressures. Change in thermal expansion coefficient with respect to temperature shows that anharmonic effect in MoB is very weak at high temperature. The optical and thermal properties of MoB are presented for the first time in this work.

Thermal conductivity of gaseous and liquid hydrogen

NASA Technical Reports Server (NTRS)

Diller, D. E.; Roder, H. M.

1971-01-01

Normal and para-hydrogen conductivity measurements at temperatures from 200 to 17 deg K, at densities up to 2.6 times critical density, and at pressures to 15 MN/sq m are made. Using new calorimeter, data are analyzed as functions of density at fixed temperatures and of temperature at fixed densities

Specific Heat Capacities of Martian Sedimentary Analogs at Low Temperatures

NASA Astrophysics Data System (ADS)

Vu, T. H.; Piqueux, S.; Choukroun, M.; Christensen, P. R.; Glotch, T. D.; Edwards, C. S.

2017-12-01

Data returned from Martian missions have revealed a wide diversity of surface mineralogies, especially in geological structures interpreted to be sedimentary or altered by liquid water. These terrains are of great interest because of their potential to document the environment at a time when life may have appeared. Intriguingly, Martian sedimentary rocks show distinctly low thermal inertia values (300-700 J.m-2.K-1.s-1/2, indicative of a combination of low thermal conductivity, specific heat, and density) that are difficult to reconcile with their bedrock morphologies (where hundreds of magmatic bedrock occurrences have been mapped with thermal inertia values >> 1200 J.m-2.K-1.s-1/2). While low thermal conductivity and density values are sometimes invoked to lower the thermal inertia of massive bedrock, both are not sufficient to lower values below 1200 J.m-2.K-1.s-1/2, far above the numbers reported in the literature for Martian sedimentary/altered rocks. In addition, our limited knowledge of the specific heat of geological materials and their temperature dependency, especially below room temperature, have prevented accurate thermal modeling and impeded interpretation of the thermal inertia data. In this work, we have addressed that knowledge gap by conducting experimental measurements of the specific heat capacities of geological materials relevant to Martian sedimentary rocks at temperatures between 100 and 350 K. The results show that variation of the specific heat with temperature, while appreciable to some extent, is rather small and is unlikely to contribute significantly in the lowering of thermal inertia values. Therefore, thermal conductivity is the parameter that has the most potential in explaining this phenomenon. Such scenario could be possible if the sedimentary rocks are finely layered with poor thermal contact between each internal bed. As the density of most geological materials is well-known, the obtained specific heat data can be used to uniquely constrain the thermal conductivity, thereby improving thermal prediction models for Martian surface temperatures. This work was conducted at the Jet Propulsion Laboratory, California Institute of Technology, under contract to NASA. Support from the NASA Solar System Workings Program and government sponsorship are acknowledged.

An Optical Trap for Relativistic Plasma

NASA Astrophysics Data System (ADS)

Zhang, Ping

2002-11-01

Optical traps have achieved remarkable success recently in confining ultra-cold matter.Traps capable of confining ultra-hot matter, or plasma, have also been built for applications such as basic plasma research and thermonuclear fusion. For instance, low-density plasmas with temperature less than 1 keV have been confined with static magnetic fields in Malmberg-Penning traps. Low-density 10-50 keV plasmas are confined in magnetic mirrors and tokamaks. High density plasmas have been trapped in optical traps with kinetic energies up to 10 keV [J. L. Chaloupka and D. D. Meyerhofer, Phys. Rev. Lett. 83, 4538 (1999)]. We present the results of experiment, theory and numerical simulation on an optical trap capable of confining relativistic plasma. A stationary interference grating with submicron spacing is created when two high-power (terawatt) laser pulses of equal wavelength (1-micron) are focused from orthogonal directions to the same point in space and time in high density underdense plasma. Light pressure gradients bunch electrons into sheets located at the minima of the interference pattern. The density of the bunched electrons is found to be up to ten times the background density, which is orders-of-magnitude above that previously reported for other optical traps or plasma waves. The amplitudes and frequencies of multiple satellites in the scattered spectrum also indicate the presence of a highly nonlinear ion wave and an electron temperature about 100 keV. Energy transfer from the stronger beam to the weaker beam is also observed. Potential applications include a test-bed for detailed studies of relativistic nonlinear scattering, a positron source and an electrostatic wiggler. This research is also relevant to fast igniter fusion or ion acceleration experiments, in which laser pulses with intensities comparable to those used in the experiment may also potentially beat [Y. Sentoku, et al., Appl. Phys. B 74, 207215 (2002)]. The details of a specific application, the injection of electrons into laser-driven plasma waves, will also be presented. With crossed beams, the energy of a laser-accelerated electron beam is increased and its emittance is decreased compared with a single beam, potentially paving the way towards an all-optical monoenergetic electron injector.

Effects of temperature, light and heterotrophy on the growth rate and budding of the temperate coral Cladocora caespitosa

NASA Astrophysics Data System (ADS)

Rodolfo-Metalpa, R.; Peirano, A.; Houlbrèque, F.; Abbate, M.; Ferrier-Pagès, C.

2008-03-01

Recent investigations have shown the temperate scleractinian coral Cladocora caespitosa to be a new potential climate archive for the Mediterranean Sea. Whilst earlier studies have demonstrated a seasonal variation in growth rates, they were unable to distinguish which environmental parameter (light, temperature, or food) was influencing growth. In this study, the effect of these three factors on the coral physiology and calcification rate was characterized to aid the correct interpretation of skeletal trace element variations. Two temperatures (13 and 23°C), irradiances (50 and 120 μmol m-2 s-1), and feeding regimes (unfed and fed with nauplii of Artemia salina) were tested under controlled laboratory conditions on the growth, zooxanthellae density, chlorophyll (chl) content, and asexual reproduction (budding) of C. caespitosa during a 7-week factorial experiment. Unlike irradiance, which had no effect, high temperature and food supply increased the growth rates of C. caespitosa. The effect of feeding was however higher for corals maintained at low temperature, suggesting that heterotrophy is especially important during the cold season, and that temperature is the predominant factor affecting the coral’s growth. At low temperature, fed samples had higher zooxanthellae density and chl content, possibly for maximizing photosynthetic efficiency. Sexual reproduction investment of C. caespitosa was higher during favourable conditions characterised by high temperatures and zooplankton availability.

Possible higher order phase transition in large-N gauge theory at finite temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nishimura, Hiromichi

2017-08-07

We analyze the phase structure of SU(¥) gauge theory at finite temperature using matrix models. Our basic assumption is that the effective potential is dominated by double-trace terms for the Polyakov loops. As a function of the temperature, a background field for the Polyakov loop, and a quartic coupling, it exhibits a universal structure: in the large portion of the parameter space, there is a continuous phase transition analogous to the third-order phase transition of Gross,Witten and Wadia, but the order of phase transition can be higher than third. We show that different confining potentials give rise to drastically differentmore » behavior of the eigenvalue density and the free energy. Therefore lattice simulations at large N could probe the order of phase transition and test our results. Critical« less

Role of electron temperature on charging of dust grains

NASA Astrophysics Data System (ADS)

Kausik, S. S.; Chakraborty, M.; Saikia, B. K.

2007-02-01

Dust grains are produced by evaporation of silver in an experimental setup consisting of a dust chamber, a plasma chamber, and a deflection chamber. Due to differential pressure between the dust and plasma chambers, the dust grains move upward and after passing through plasma they become negatively charged. These charged dust grains are then deflected by a dc field applied across a pair of deflector plates in the deflection chamber. Both from the amount of deflection and also from the floating potential, the number of charges collected on the dust grains is calculated. As the gas pressure is changed, the plasma density and the electron temperature changes. Dust charge is then calculated at each value of pressure from the deflection and floating potential. It is found that the electron temperature has a profound effect in the accumulation of charge on dust grains.

Acousto-exciton interaction in a gas of 2D indirect dipolar excitons in the presence of disorder

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kovalev, V. M.; Chaplik, A. V., E-mail: chaplik@isp.nsc.ru

2016-03-15

A theory for the linear and quadratic responses of a 2D gas of indirect dipolar excitons to an external surface acoustic wave perturbation in the presence of a static random potential is considered. The theory is constructed both for high temperatures, definitely greater than the exciton gas condensation temperature, and at zero temperature by taking into account the Bose–Einstein condensation effects. The particle Green functions, the density–density correlation function, and the quadratic response function are calculated by the “cross” diagram technique. The results obtained are used to calculate the absorption of Rayleigh surface waves and the acoustic exciton gas dragmore » by a Rayleigh wave. The damping of Bogoliubov excitations in an exciton condensate due to theirs scattering by a random potential has also been determined.« less

Thermodynamic Properties of Low-Density {}^{132}Xe Gas in the Temperature Range 165-275 K

NASA Astrophysics Data System (ADS)

Akour, Abdulrahman

2018-01-01

The method of static fluctuation approximation was used to calculate selected thermodynamic properties (internal energy, entropy, energy capacity, and pressure) for xenon in a particularly low-temperature range (165-270 K) under different conditions. This integrated microscopic study started from an initial basic assumption as the main input. The basic assumption in this method was to replace the local field operator with its mean value, then numerically solve a closed set of nonlinear equations using an iterative method, considering the Hartree-Fock B2-type dispersion potential as the most appropriate potential for xenon. The results are in very good agreement with those of an ideal gas.

Modified free volume theory of self-diffusion and molecular theory of shear viscosity of liquid carbon dioxide.

PubMed

Nasrabad, Afshin Eskandari; Laghaei, Rozita; Eu, Byung Chan

2005-04-28

In previous work on the density fluctuation theory of transport coefficients of liquids, it was necessary to use empirical self-diffusion coefficients to calculate the transport coefficients (e.g., shear viscosity of carbon dioxide). In this work, the necessity of empirical input of the self-diffusion coefficients in the calculation of shear viscosity is removed, and the theory is thus made a self-contained molecular theory of transport coefficients of liquids, albeit it contains an empirical parameter in the subcritical regime. The required self-diffusion coefficients of liquid carbon dioxide are calculated by using the modified free volume theory for which the generic van der Waals equation of state and Monte Carlo simulations are combined to accurately compute the mean free volume by means of statistical mechanics. They have been computed as a function of density along four different isotherms and isobars. A Lennard-Jones site-site interaction potential was used to model the molecular carbon dioxide interaction. The density and temperature dependence of the theoretical self-diffusion coefficients are shown to be in excellent agreement with experimental data when the minimum critical free volume is identified with the molecular volume. The self-diffusion coefficients thus computed are then used to compute the density and temperature dependence of the shear viscosity of liquid carbon dioxide by employing the density fluctuation theory formula for shear viscosity as reported in an earlier paper (J. Chem. Phys. 2000, 112, 7118). The theoretical shear viscosity is shown to be robust and yields excellent density and temperature dependence for carbon dioxide. The pair correlation function appearing in the theory has been computed by Monte Carlo simulations.

Influence of the first wall material on the particle fuelling in ASDEX Upgrade

NASA Astrophysics Data System (ADS)

Lunt, T.; Reimold, F.; Wolfrum, E.; Carralero, D.; Feng, Y.; Schmid, K.; the ASDEX Upgrade Team

2017-05-01

In the period from 2002 to 2007 the material of the plasma facing components (PFCs) of ASDEX Upgrade (AUG) was changed from carbon (C) to tungsten (W). Comparing the measured density profiles of low-density L-mode discharges with little or no gas puff before and after this modification, a significantly higher pedestal-top density was found for W PFCs together with a steeper gradient and a lower pedestal temperature. This change can be explained by larger particle- and energy reflection coefficients for D on W compared to D on C, as shown by EMC3-EIRENE simulations of AUG discharges in similar conditions on a computational grid extending to the main chamber first wall. In the simulations, a change of the wall material at fixed separatrix density indeed shows that for W PFCs more neutrals cross the separatrix, resulting in a steeper density gradient. Analysis of the source resolved and poloidally resolved neutral flux densities across the separatrix show a dominant contribution of the divertor targets to the fuelling profile in the simulation of the low density case. Increasing the density decreases the electron temperature at the target and therefore the potential drop in the electrostatic sheath as well as the energy of the ions impinging on the surface. Neutrals with ∼eV energies, able to reach the separatrix, are then only produced via molecular dissociation processes in the plasma volume independently of the PFC material. Also the contribution of the main chamber PFCs to the fuelling is observed to increase at higher densities.

Characteristics of B2O3 and Fe added into BaFe12O19 permanent magnets prepared at different milling time and sintering temperature

NASA Astrophysics Data System (ADS)

Sebayang, Perdamean; Sari, Ayu Yuswita; Ginting, Delovita; Allan, Yola; Nasruddin M., N.; Sebayang, Kerista

2016-02-01

The objective of present work is to investigate the characteristic of BaFe12O19, B2O3-BaFe12O19 and Fe-BaFe12O19 magnets fabricated at different milling time and sintering temperature. The characteristic of perrmanen magnet BaFe12O19 with different content of B2O3 and Fe which was fabricated at different milling time and sintering temperature were investigated. The powder mixtures were prepared by dry and wet milling at various milling time. The powder were mixtured and prepared by dry and wet milling at various milling time. The mixture powder was then compacted by anisotropic with compressive pressure of 50 N/cm2. The green bodies were sinter at 1050, 1100, 1150 and 1200°C and hold for 1 h, separately. The density, magnetic flux density and B-H curve were measured by Archimedes principle, Gauss meter and Permagraph, respectively. The microstructure and phase composition characterization were performed by SEM and XRD. The results of this study are presented in this paper. It shows that addition of Fe (in wet milling) and B2O3 (in dry milling) respectively give a potential benefit to reduce the sintering temperature and improve the magnetic flux density of barium hexaferrite.

Plate tectonics on the terrestrial planets

NASA Astrophysics Data System (ADS)

van Thienen, P.; Vlaar, N. J.; van den Berg, A. P.

2004-05-01

Plate tectonics is largely controlled by the buoyancy distribution in oceanic lithosphere, which correlates well with the lithospheric age. Buoyancy also depends on compositional layering resulting from pressure release partial melting under mid-ocean ridges, and this process is sensitive to pressure and temperature conditions which vary strongly between the terrestrial planets and also during the secular cooling histories of the planets. In our modelling experiments we have applied a range of values for the gravitational acceleration (representing different terrestrial planets), potential temperatures (representing different times in the history of the planets), and surface temperatures in order to investigate under which conditions plate tectonics is a viable mechanism for the cooling of the terrestrial planets. In our models we include the effects of mantle temperature on the composition and density of melt products and the thickness of the lithosphere. Our results show that the onset time of negative buoyancy for oceanic lithosphere is reasonable (less than a few hundred million years) for potential temperatures below ˜ 1500 ° C for the Earth and ˜ 1450 ° C for Venus. In the reduced gravity field of Mars a much thicker stratification is produced and our model indicates that plate tectonics could only operate on reasonable time scales at a potential mantle temperature below about 1300-1400 °C.

Raman spectroscopic characterization of CH4 density over a wide range of temperature and pressure

USGS Publications Warehouse

Shang, Linbo; Chou, I-Ming; Burruss, Robert; Hu, Ruizhong; Bi, Xianwu

2014-01-01

The positions of the CH4 Raman ν1 symmetric stretching bands were measured in a wide range of temperature (from −180 °C to 350 °C) and density (up to 0.45 g/cm3) using high-pressure optical cell and fused silica capillary capsule. The results show that the Raman band shift is a function of both methane density and temperature; the band shifts to lower wavenumbers as the density increases and the temperature decreases. An equation representing the observed relationship among the CH4 ν1 band position, temperature, and density can be used to calculate the density in natural or synthetic CH4-bearing inclusions.

Estimating risks to aquatic life using quantile regression

USGS Publications Warehouse

Schmidt, Travis S.; Clements, William H.; Cade, Brian S.

2012-01-01

One of the primary goals of biological assessment is to assess whether contaminants or other stressors limit the ecological potential of running waters. It is important to interpret responses to contaminants relative to other environmental factors, but necessity or convenience limit quantification of all factors that influence ecological potential. In these situations, the concept of limiting factors is useful for data interpretation. We used quantile regression to measure risks to aquatic life exposed to metals by including all regression quantiles (τ  =  0.05–0.95, by increments of 0.05), not just the upper limit of density (e.g., 90th quantile). We measured population densities (individuals/0.1 m2) of 2 mayflies (Rhithrogena spp., Drunella spp.) and a caddisfly (Arctopsyche grandis), aqueous metal mixtures (Cd, Cu, Zn), and other limiting factors (basin area, site elevation, discharge, temperature) at 125 streams in Colorado. We used a model selection procedure to test which factor was most limiting to density. Arctopsyche grandis was limited by other factors, whereas metals limited most quantiles of density for the 2 mayflies. Metals reduced mayfly densities most at sites where other factors were not limiting. Where other factors were limiting, low mayfly densities were observed despite metal concentrations. Metals affected mayfly densities most at quantiles above the mean and not just at the upper limit of density. Risk models developed from quantile regression showed that mayfly densities observed at background metal concentrations are improbable when metal mixtures are at US Environmental Protection Agency criterion continuous concentrations. We conclude that metals limit potential density, not realized average density. The most obvious effects on mayfly populations were at upper quantiles and not mean density. Therefore, we suggest that policy developed from mean-based measures of effects may not be as useful as policy based on the concept of limiting factors.

Impact of Thermal Pretreatment Temperatures on Woody Biomass Chemical Composition, Physical Properties and Microstructure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Ping; Howard, Bret H.

Thermal pretreatment of biomass by torrefaction and low temperature pyrolysis has the potential for generating high quality and more suitable fuels. To utilize a model to describe the complex and dynamic changes taking place during these two treatments for process design, optimization and scale-up, detailed data is needed on the property evolution during treatment of well-defined individual biomass particles. The objectives of this study are to investigate the influence of thermal pretreatment temperatures on wood biomass biochemical compositions, physical properties and microstructure. Wild cherry wood was selected as a model biomass and prepared for this study. The well-defined wood particlemore » samples were consecutively heated at 220, 260, 300, 350, 450 and 550 °C for 0.5 h under nitrogen. Untreated and treated samples were characterized for biochemical composition changes (cellulose, hemicellulose, and lignin) by thermogravimetric analyzer (TGA), physical properties (color, dimensions, weight, density and grindablity), chemical property (proximate analysis and heating value) and microstructural changes by scanning electron microscopy (SEM). Hemicellulose was mostly decomposed in the samples treated at 260 and 300 °C and resulted in the cell walls weakening resulting in improved grindability. The dimensions of the wood were reduced in all directions and shrinkage increased with increased treatment temperature and weight loss. With increased treatment temperature, losses of weight and volume increased and bulk density decreased. The low temperature pyrolyzed wood samples improved solid fuel property with high fuel ratio, which are close to lignite/bituminous coal. Morphology of the wood remained intact through the treatment range but the cell walls were thinner. Lastly, these results will improve the understanding of the property changes of the biomass during pretreatment and will help to develop models for process simulation and potential application of the treated biomass.« less

Impact of Thermal Pretreatment Temperatures on Woody Biomass Chemical Composition, Physical Properties and Microstructure

DOE PAGES

Wang, Ping; Howard, Bret H.

2017-12-23

Thermal pretreatment of biomass by torrefaction and low temperature pyrolysis has the potential for generating high quality and more suitable fuels. To utilize a model to describe the complex and dynamic changes taking place during these two treatments for process design, optimization and scale-up, detailed data is needed on the property evolution during treatment of well-defined individual biomass particles. The objectives of this study are to investigate the influence of thermal pretreatment temperatures on wood biomass biochemical compositions, physical properties and microstructure. Wild cherry wood was selected as a model biomass and prepared for this study. The well-defined wood particlemore » samples were consecutively heated at 220, 260, 300, 350, 450 and 550 °C for 0.5 h under nitrogen. Untreated and treated samples were characterized for biochemical composition changes (cellulose, hemicellulose, and lignin) by thermogravimetric analyzer (TGA), physical properties (color, dimensions, weight, density and grindablity), chemical property (proximate analysis and heating value) and microstructural changes by scanning electron microscopy (SEM). Hemicellulose was mostly decomposed in the samples treated at 260 and 300 °C and resulted in the cell walls weakening resulting in improved grindability. The dimensions of the wood were reduced in all directions and shrinkage increased with increased treatment temperature and weight loss. With increased treatment temperature, losses of weight and volume increased and bulk density decreased. The low temperature pyrolyzed wood samples improved solid fuel property with high fuel ratio, which are close to lignite/bituminous coal. Morphology of the wood remained intact through the treatment range but the cell walls were thinner. Lastly, these results will improve the understanding of the property changes of the biomass during pretreatment and will help to develop models for process simulation and potential application of the treated biomass.« less

Ambipolar ion acceleration in an expanding magnetic nozzle

NASA Astrophysics Data System (ADS)

Longmier, Benjamin W.; Bering, Edgar A., III; Carter, Mark D.; Cassady, Leonard D.; Chancery, William J.; Díaz, Franklin R. Chang; Glover, Tim W.; Hershkowitz, Noah; Ilin, Andrew V.; McCaskill, Greg E.; Olsen, Chris S.; Squire, Jared P.

2011-02-01

The helicon plasma stage in the Variable Specific Impulse Magnetoplasma Rocket (VASIMR®) VX-200i device was used to characterize an axial plasma potential profile within an expanding magnetic nozzle region of the laboratory based device. The ion acceleration mechanism is identified as an ambipolar electric field produced by an electron pressure gradient, resulting in a local axial ion speed of Mach 4 downstream of the magnetic nozzle. A 20 eV argon ion kinetic energy was measured in the helicon source, which had a peak magnetic field strength of 0.17 T. The helicon plasma source was operated with 25 mg s-1 argon propellant and 30 kW of RF power. The maximum measured values of plasma density and electron temperature within the exhaust plume were 1 × 1020 m-3 and 9 eV, respectively. The measured plasma density is nearly an order of magnitude larger than previously reported steady-state helicon plasma sources. The exhaust plume also exhibits a 95% to 100% ionization fraction. The size scale and spatial location of the plasma potential structure in the expanding magnetic nozzle region appear to follow the size scale and spatial location of the expanding magnetic field. The thickness of the potential structure was found to be 104 to 105 λDe depending on the local electron temperature in the magnetic nozzle, many orders of magnitude larger than typical laboratory double layer structures. The background plasma density and neutral argon pressure were 1015 m-3 and 2 × 10-5 Torr, respectively, in a 150 m3 vacuum chamber during operation of the helicon plasma source. The agreement between the measured plasma potential and plasma potential that was calculated from an ambipolar ion acceleration analysis over the bulk of the axial distance where the potential drop was located is a strong confirmation of the ambipolar acceleration process.

A study of density effects in plasmas using analytical approximations for the self-consistent potential

NASA Astrophysics Data System (ADS)

Poirier, M.

2015-06-01

Density effects in ionized matter require particular attention since they modify energies, wavefunctions and transition rates with respect to the isolated-ion situation. The approach chosen in this paper is based on the ion-sphere model involving a Thomas-Fermi-like description for free electrons, the bound electrons being described by a full quantum mechanical formalism. This permits to deal with plasmas out of thermal local equilibrium, assuming only a Maxwell distribution for free electrons. For H-like ions, such a theory provides simple and rather accurate analytical approximations for the potential created by free electrons. Emphasis is put on the plasma potential rather than on the electron density, since the energies and wavefunctions depend directly on this potential. Beyond the uniform electron gas model, temperature effects may be analyzed. In the case of H-like ions, this formalism provides analytical perturbative expressions for the energies, wavefunctions and transition rates. Explicit expressions are given in the case of maximum orbital quantum number, and compare satisfactorily with results from a direct integration of the radial Schrödinger equation. Some formulas for lower orbital quantum numbers are also proposed.

Structure, dynamics, and thermodynamics of a family of potentials with tunable softness

NASA Astrophysics Data System (ADS)

Shi, Zane; Debenedetti, Pablo G.; Stillinger, Frank H.; Ginart, Paul

2011-08-01

We investigate numerically the structure, thermodynamics, and relaxation behavior of a family of (n, 6) Lennard-Jones-like glass-forming binary mixtures interacting via pair potentials with variable softness, fixed well depth, and fixed well depth location. These constraints give rise to progressively more negative attractive tails upon softening, for separations greater than the potential energy minimum. Over the range of conditions examined, we find only modest dependence of structure on softness. In contrast, decreasing the repulsive exponent from n = 12 to n = 7 causes the diffusivity to increase by as much as two orders of magnitude at fixed temperature and density, and produces mechanically stable packings (inherent structures) with cohesive energies that are, on average, ˜1.7 well depths per particle larger than for the corresponding Lennard-Jones (n = 12) case. The softer liquids have markedly higher entropies and lower Kauzmann temperatures than their Lennard-Jones (n = 12) counterparts, and they remain diffusive down to appreciably lower temperatures. We find that softening leads to a modest increase in fragility.

Phase Transition to an Opaque Plasma in a Sonoluminescing Bubble

NASA Astrophysics Data System (ADS)

Kappus, Brian; Khalid, Shahzad; Chakravarty, Avik; Putterman, Seth

2011-06-01

Time-resolved spectrum measurements of a sonoluminescing Xe bubble reveal a transition from transparency to an opaque Planck blackbody. As the temperature is <10000K and the density is below liquid density, the photon scattering length is 10 000 times too large to explain its opacity. We resolve this issue with a model that reduces the ionization potential. According to this model, sonoluminescence originates in a new phase of matter with high ionization. Analysis of line emission from Xe* also yields evidence of phase segregation for this first-order transition inside a bubble.

Electronic, thermoelectric and transport properties of cesium cadmium trifluoride: A DFT study

NASA Astrophysics Data System (ADS)

Abraham, Jisha Annie; Pagare, G.; Sanyal, Sankar P.

2018-04-01

The full potential linearized augmented plane wave method based on density functional theory is employed to investigate the electronic structure of CsCdF3. The electronic properties of this compound have been studied from the band structure plot and density of states. The presence of indirect energy gap reveals its insulating nature. Using constant relaxation time, the electrical conductivity, electronic thermal conductivity, Seebeck coefficient and figure of merit are calculated by using Boltzmann transport theory. We have also studied the temperature dependence of thermoelectric properties of this compound.

A methodology for mapping forest latent heat flux densities using remote sensing

NASA Technical Reports Server (NTRS)

Pierce, Lars L.; Congalton, Russell G.

1988-01-01

Surface temperatures and reflectances of an upper elevation Sierran mixed conifer forest were monitored using the Thematic Mapper Simulator sensor during the summer of 1985 in order to explore the possibility of using remote sensing to determine the distribution of solar energy on forested watersheds. The results show that the method is capable of quantifying the relative energy allocation relationships between the two cover types defined in the study. It is noted that the method also has the potential to map forest latent heat flux densities.

Development of a new generation of high-temperature composite materials

NASA Technical Reports Server (NTRS)

Brindley, Pamela K.

1987-01-01

There are ever-increasing demands to develop low-density materials that maintain high strength and stiffness properties at elevated temperatures. Such materials are essential if the requirements for advanced aircraft, space power generation, and space station plans are to be realized. Metal matrix composites and intermetallic matrix composites are currently being investigated at NASA Lewis for such applications because they offer potential increases in strength, stiffness, and use temperature at a lower density than the most advanced single-crystal superalloys presently available. Today's discussion centers around the intermetallic matrix composites proposed by Lewis for meeting advanced aeropropulsion requirements. The fabrication process currently being used at Lewis to produce intermetallic matrix composites will be reviewed, and the properties of one such composite, SiC/Ti3Al+Nb, will be presented. In addition, the direction of future research will be outlined, including plans for enhanced fabrication of aluminide composites by the arc spray technique and fiber development by the floating-zone process.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilke, Rudeger H. T.; Baker, Amanda; Brown-Shaklee, Harlan

Here, alkali-free glasses, which exhibit high energy storage densities (~35 J/cc), present a unique opportunity to couple high temperature stability with high breakdown strength, and thus provide an avenue for capacitor applications with stringent temperature and power requirements. Realizing the potential of these materials in kilovolt class capacitors with >1 J/cc recoverable energy density requires novel packaging strategies that incorporate these extremely fragile dielectrics. In this paper, we demonstrate the feasibility of fabricating wound capacitors using 50-μm-thick glass. Two capacitors were fabricated from 2.8-m-long ribbons of thin (50 μm) glass wound into 125-140-mm-diameter spools. The capacitors exhibit a capacitance ofmore » 70-75 nF with loss tangents below 1%. The wound capacitors can operate up to 1 kV and show excellent temperature stability to 150 °C. By improving the end terminations, the self-resonance can be shifted to above 1 MHz, indicating that these materials may be useful for pulsed power applications with microsecond discharge times.« less

Super high energy density of Li3V2(PO4)3 as cathode materials for lithium ion batteries

NASA Astrophysics Data System (ADS)

Noerochim, Lukman; Amin, Mochammad Karim Al; Susanti, Diah; Triwibowo, Joko

2018-04-01

Lithium ion batteries have many advantages such as high energy density, no memory effect, long time cycleability and friendly environment. One type of cathode material that can be developed is Li3V2(PO4)3. In this study has been carried out the synthesis of Li3V2(PO4)3 with a hydrothermal temperature variation of 140, 160 and 180 °C and calcination temperature at 800 °C. SEM images show that the morphology of Li3V2(PO4)3 has irregular flakes with a size between 1-10 µm. CV results show redox reaction occurs in the range between 3 V to 4.8 V with the highest specific discharge capacity of 136 mAh/g for specimen with temperature hydrothermal and calcination are 180 °C and 800 °C. This result demonstrates that Li3V2(PO4)3 has a great potential as cathode material for lithium ion battery.

Probabilistic Modeling of High-Temperature Material Properties of a 5-Harness 0/90 Sylramic Fiber/ CVI-SiC/ MI-SiC Woven Composite

NASA Technical Reports Server (NTRS)

Nagpal, Vinod K.; Tong, Michael; Murthy, P. L. N.; Mital, Subodh

1998-01-01

An integrated probabilistic approach has been developed to assess composites for high temperature applications. This approach was used to determine thermal and mechanical properties and their probabilistic distributions of a 5-harness 0/90 Sylramic fiber/CVI-SiC/Mi-SiC woven Ceramic Matrix Composite (CMC) at high temperatures. The purpose of developing this approach was to generate quantitative probabilistic information on this CMC to help complete the evaluation for its potential application for HSCT combustor liner. This approach quantified the influences of uncertainties inherent in constituent properties called primitive variables on selected key response variables of the CMC at 2200 F. The quantitative information is presented in the form of Cumulative Density Functions (CDFs). Probability Density Functions (PDFS) and primitive variable sensitivities on response. Results indicate that the scatters in response variables were reduced by 30-50% when the uncertainties in the primitive variables, which showed the most influence, were reduced by 50%.

Exciplex vacuum ultraviolet emission spectra of KrAr: Temperature dependence and potentials

NASA Astrophysics Data System (ADS)

Subtil, J.-L.; Jonin, C.; Laporte, P.; Reininger, R.; Spiegelmann, F.; Gürtler, P.

1996-11-01

The temperature dependence of the emissions from the 0+(3P1)and 1(3P2) Kr*Ar exciplex states in the range 85-350 K was studied using time resolved techniques, vacuum ultraviolet synchrotron radiation, and argon samples doped with minimal amounts of krypton. As the temperature is increased, the emission shifts to the blue, its width increases by almost a factor of 2, and the line shape becomes asymmetrical. The experimental line shapes have been simulated by means of Franck-Condon density calculations using the available ground state potential of Aziz and Slaman [Mol. Phys. 58, 679 (1986)] and by modeling the exciplex potentials as Morse curves. The potential parameters for the 0+ and 1 states are re=5.05±0.01 and 5.07±0.01 a0, respectively; De=1150±200 cm-1 and β=1.4±0.1 a0-1 for both states. The latter two values yield ωe=140 cm-1 and ωexe=4.3 cm-1. The energy positions of the exciplexes's wells and their depths are compared with published results.

Use of the thin sheath approximation for obtaining ion temperatures from the ISEE 1 limited aperture RPA. [for magnetosphere

NASA Technical Reports Server (NTRS)

Comfort, R. H.; Baugher, C. R.; Chappell, C. R.

1982-01-01

A procedure for analyzing low-energy (less than approximately 100 eV) ion data from the plasma composition experiment on ISEE 1 is set forth. The method is based on a derived analytic expression for particle flux to a limited aperture retarding potential analyzer (RPA) in the thin sheath approximation, which makes allowance for some effects of a charged spacecraft on plasma particle trajectories. Calculations using simulated data are employed in testing the efficacy and accuracy of the technique. On the basis of an analysis of these calculation results and the mathematical model, the method is seen as being able to provide accurate ion temperatures from all good plasmaspheric RPA data. It is noted that corresponding densities and spacecraft potentials should be accurate when spacecraft potentials are negative but that they are subject to error for positive spacecraft potentials, particularly when ion Mach numbers are much less than 1. An analysis of data from a representative ISEE 1 pass produces a plasmasphere temperature profile that is consistent in overall structure with previous observations.

Effect of potential vorticity flux on the circulation in the South China Sea

NASA Astrophysics Data System (ADS)

Zhu, Yaohua; Sun, Junchuan; Wang, Yonggang; Wei, Zexun; Yang, Dezhou; Qu, Tangdong

2017-08-01

This study analyzes temperature and salinity products from the U.S. Navy Generalized Digital Environment Model. To avoid the fictitious assumption of no-motion reference level, a P-vector inverse method is employed to derive geostrophic velocity. Line integral of geostrophic velocity shows evidence for the existence of a sandwiched circulation in the South China Sea (SCS), i.e., cyclonic circulation in the subsurface and deep layers and anticyclonic in the intermediate layer. To reveal the factors responsible for the sandwiched circulation, we derive the potential vorticity equation based on a four-and-a-half-layer quasi-geostrophic model and apply theoretical potential vorticity constraint to density layers. The result shows that the sandwiched circulation is largely induced by planetary potential vorticity flux through lateral boundaries, mainly the Luzon Strait. This dynamical mechanism lies in the fact that the net potential vorticity inflow in the subsurface and deep layers leads to a positive layer-average vorticity in the SCS basin, yielding vortex stretching and a cyclonic basin-wide circulation. On the contrary, the net potential vorticity outflow in the intermediate layer induces a negative layer-average vorticity, generating an anticyclonic basin-wide circulation in the SCS. Furthermore, by illustrating different consequence from depth/density layers, we clarify that density layers are essential for applying theoretical potential vorticity constraint to the isolated deep SCS basin.

Supercritical Fuel Pyrolysis

DTIC Science & Technology

2010-05-30

supercritical fluids . These temperatures and pressures will also cause the fuel to undergo pyrolytic reactions, which have the potential of forming...With regard to physical properties, supercritical fluids have highly variable densities, no surface tension, and transport properties (i.e., mass...effects in supercritical fluids , often affecting chemical reaction pathways by facilitating the formation of certain transition states [6]. Because

Temperature-dependent surface density of alkylthiol monolayers on gold nanocrystals

NASA Astrophysics Data System (ADS)

Liu, Xuepeng; Lu, Pin; Zhai, Hua; Wu, Yucheng

2018-03-01

Atomistic molecular dynamics (MD) simulations are performed to study the surface density of passivating monolayers of alkylthiol chains on gold nanocrystals at temperatures ranging from 1 to 800 K. The results show that the surface density of alkylthiol monolayer reaches a maximum value at near room temperature (200-300 K), while significantly decreases with increasing temperature in the higher temperature region (> 300 {{K}}), and slightly decreases with decreasing temperature at low temperature (< 200 {{K}}). We find that the temperature dependence of surface ligand density in the higher temperature region is attributed to the substantial ligand desorption induced by the thermal fluctuation, while that at low temperature results from the reduction in entropy caused by the change in the ordering of passivating monolayer. These results are expected helpful to understand the temperature-dependent surface coverage of gold nanocrystals.

Advanced ceramic material for high temperature turbine tip seals

NASA Technical Reports Server (NTRS)

Solomon, N. G.; Vogan, J. W.

1978-01-01

Ceramic material systems are being considered for potential use as turbine blade tip gas path seals at temperatures up to 1370 1/4 C. Silicon carbide and silicon nitride structures were selected for study since an initial analysis of the problem gave these materials the greatest potential for development into a successful materials system. Segments of silicon nitride and silicon carbide materials over a range of densities, processed by various methods, a honeycomb structure of silicon nitride and ceramic blade tip inserts fabricated from both materials by hot pressing were tested singly and in combination. The evaluations included wear under simulated engine blade tip rub conditions, thermal stability, impact resistance, machinability, hot gas erosion and feasibility of fabrication into engine components. The silicon nitride honeycomb and low-density silicon carbide using a selected grain size distribution gave the most promising results as rub-tolerant shroud liners. Ceramic blade tip inserts made from hot-pressed silicon nitride gave excellent test results. Their behavior closely simulated metal tips. Wear was similar to that of metals but reduced by a factor of six.

Advective and diapycnal diffusive oceanic flux in Tenerife - La Gomera Channel

NASA Astrophysics Data System (ADS)

Marrero-Díaz, A.; Rodriguez-Santana, A.; Hernández-Arencibia, M.; Machín, F.; García-Weil, L.

2012-04-01

During the year 2008, using the commercial passenger ship Volcán de Tauce of the Naviera Armas company several months, it was possible to obtain vertical profiles of temperature from expandable bathythermograph probes in eight stations across the Tenerife - La Gomera channel. With these data of temperature we have been estimated vertical sections of potential density and geostrophic transport with high spatial and temporal resolution (5 nm between stations, and one- two months between cruises). The seasonal variability obtained for the geostrophic transport in this channel shows important differences with others Canary Islands channels. From potential density and geostrophic velocity data we estimated the vertical diffusion coefficients and diapycnal diffusive fluxes, using a parameterization that depends of Richardson gradient number. In the center of the channel and close to La Gomera Island, we found higher values for these diffusive fluxes. Convergence and divergence of these fluxes requires further study so that we can draw conclusions about its impact on the distribution of nutrients in the study area and its impact in marine ecosystems. This work is being used in research projects TRAMIC and PROMECA.

Ionic structures and transport properties of hot dense W and U plasmas

NASA Astrophysics Data System (ADS)

Hou, Yong; Yuan, Jianmin

2016-10-01

We have combined the average-atom model with the hyper-netted chain approximation (AAHNC) to describe the electronic and ionic structure of uranium and tungsten in the hot dense matter regime. When the electronic structure is described within the average-atom model, the effects of others ions on the electronic structure are considered by the correlation functions. And the ionic structure is calculated though using the hyper-netted chain (HNC) approximation. The ion-ion pair potential is calculated using the modified Gordon-Kim model based on the electronic density distribution in the temperature-depended density functional theory. And electronic and ionic structures are determined self-consistently. On the basis of the ion-ion pair potential, we perform the classical (CMD) and Langevin (LMD) molecular dynamics to simulate the ionic transport properties, such as ionic self-diffusion and shear viscosity coefficients, through the ionic velocity correlation functions. Due that the free electrons become more and more with increasing the plasma temperature, the influence of the electron-ion collisions on the transport properties become more and more important.

Spatial Distribution of Oxygen Chemical Potential under Potential Gradients and Theoretical Maximum Power Density with 8YSZ Electrolyte

NASA Astrophysics Data System (ADS)

Lim, Dae-Kwang; Im, Ha-Ni; Song, Sun-Ju

2016-01-01

The maximum power density of SOFC with 8YSZ electrolyte as the function of thickness was calculated by integrating partial conductivities of charge carriers under various DC bias conditions at a fixed oxygen chemical potential gradient at both sides of the electrolyte. The partial conductivities were successfully taken using the Hebb-Wagner polarization method as a function of temperature and oxygen partial pressure, and the spatial distribution of oxygen partial pressure across the electrolyte was calculated based on Choudhury and Patterson’s model by considering zero electrode polarization. At positive voltage conditions corresponding to SOFC and SOEC, the high conductivity region was expanded, but at negative cell voltage condition, the low conductivity region near n-type to p-type transition was expanded. In addition, the maximum power density calculated from the current-voltage characteristic showed approximately 5.76 W/cm2 at 700 oC with 10 μm thick-8YSZ, while the oxygen partial pressure of the cathode and anode sides maintained ≈0.21 and 10-22 atm.

Effect of dust charging and trapped electrons on nonlinear solitary structures in an inhomogeneous magnetized plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Ravinder; Malik, Hitendra K.; Singh, Khushvant

2012-01-15

Main concerns of the present article are to investigate the effects of dust charging and trapped electrons on the solitary structures evolved in an inhomogeneous magnetized plasma. Such a plasma is found to support two types of waves, namely, fast wave and slow wave. Slow wave propagates in the plasma only when the wave propagation angle {theta} satisfies the condition {theta}{>=}tan{sup -1}{l_brace}({radical}((1+2{sigma})-[(n{sub dlh}({gamma}{sub 1}-1))/(1+n{sub dlh}{gamma}{sub 1})])-v{sub 0}/u{sub 0}){r_brace}, where v{sub 0}(u{sub 0}) is the z- (x-) component of ion drift velocity, {sigma} = T{sub i}/T{sub eff}, n{sub dlh} = n{sub d0}/(n{sub el0} + n{sub eh0}), and {gamma}{sub 1}=-(1/{Phi}{sub i0})[(1-{Phi}{sub i0}/1+{sigma}(1-{Phi}{submore » i0}))] together with T{sub i} as ion temperature, n{sub el0}(n{sub eh0}) as the density of trapped (isothermal) electrons, {Phi}{sub i0} as the dust grain (density n{sub d0}) surface potential relative to zero plasma potential, and T{sub eff}=(n{sub elo}+n{sub eho})T{sub el}T{sub eh}/(n{sub elo}T{sub eh}+n{sub eho}T{sub el}), where T{sub el}(T{sub eh}) is the temperature of trapped (isothermal) electrons. Both the waves evolve in the form of density hill type structures in the plasma, confirming that these solitary structures are compressive in nature. These structures are found to attain higher amplitude when the charge on the dust grains is fluctuated (in comparison with the case of fixed charge) and also when the dust grains and trapped electrons are more in number; the same is the case with higher temperature of ions and electrons. Slow solitary structures show weak dependence on the dust concentration. Both types of structures are found to become narrower under the application of stronger magnetic field. With regard to the charging of dust grains, it is observed that the charge gets reduced for the higher trapped electron density and temperature of ions and electrons, and dust charging shows weak dependence on the ion temperature.« less

Optical characterization of wide-gap detector-grade semiconductors

NASA Astrophysics Data System (ADS)

Elshazly, Ezzat S.

Wide bandgap semiconductors are being widely investigated because they have the potential to satisfy the stringent material requirements of high resolution, room temperature gamma-ray spectrometers. In particular, Cadmium Zinc Telluride (Cd1-xZnxTe, x˜0.1) and Thallium Bromide (TlBr), due to their combination of high resistivity, high atomic number and good electron mobility, have became very promising candidates for use in X- and gamma-ray detectors operating at room temperature. In this study, carrier trapping times were measured in CZT and TlBr as a function of temperature and material quality. Carrier lifetimes and tellurium inclusion densities were measured in detector-grade Cadmium Zinc Telluride (CZT) crystals grown by the High Pressure Bridgman method and Modified Bridgman method. Excess carriers were produced in the material using a pulsed YAG laser with a 1064nm wavelength and 7ns pulse width. Infrared microscopy was used to measure the tellurium defect densities in CZT crystals. The electronic decay was optically measured at room temperature. Spatial mapping of lifetimes and defect densities in CZT was performed to determine the relationship between defect density and electronic decay. A significant and strong correlation was found between the volume fraction of tellurium inclusions and the carrier trapping time. Carrier trapping times and tellurium inclusions were measured in CZT in the temperature range from 300K to 110K and the results were analyzed using a theoretical trapping model. Spatial mapping of carrier trapping times and defect densities in CZT was performed to determine the relationship between defect density and electronic decay. While a strong correlation between trapping time and defect density of tellurium inclusions was observed, there was no significant change in the trap energy. Carrier trapping times were measured in detector grade thallium bromide (TlBr) and compared with the results for cadmium zinc telluride (CZT) in a temperature range from 300K to 110K. The experimental data was analyzed using a trapping model. In CZT, because the majority carrier concentration is close to the intrinsic carrier concentration, the trapping time increases exponentially as the temperature decreases below about 160K. While, in TlBr, the majority carrier concentration is many orders of magnitude greater than the intrinsic carrier concentration and the trapping time followed a 1T temperature dependence over the range of temperatures studied. The results of the model suggest that a moderately deep compensation center, located approximately 200 meV from the middle of the bandgap, could be used to significantly increase the room temperature trapping time in TlBr. The results of this model demonstrate that the room temperature trapping time in TlBr can, in principle, approach 0.1ms through the introduction of a moderately deep compensation level but without decreasing the overall trap concentration. This strategy is not possible in CZT, because the band gap is too small to use a moderately deep compensation level while still maintaining high material resistivity. Carrier trapping times were measured in three polycrystalline TlBr samples produced by melting commercial TlBr beads in a sealed quartz ampoule for two hours at three different temperatures near the melting point. The trapping time decreased with increasing melting temperature, presumably due to the thermal generation of a trap state.

TiO2-Based Indium Phosphide Metal-Oxide-Semiconductor Capacitor with High Capacitance Density.

PubMed

Cheng, Chun-Hu; Hsu, Hsiao-Hsuan; Chou, Kun-i

2015-04-01

We report a low-temperature InP p-MOS with a high capacitance density of 2.7 µF/cm2, low leakage current of 0.77 A/cm2 at 1 V and tight current distribution. The high-density and low-leakage InP MOS was achieved by using high-κ TiLaO dielectric and ultra-thin SiO2 buffer layer with a thickness of less than 0.5 nm. The obtained EOT can be aggressively scaled down to < 1 nm through the use of stacked TiLaO/SiO2 dielectric, which has the potential for the future application of high mobility III-V CMOS devices.

Introduction to the theory and application of a unified Bohm criterion for arbitrary-ion-temperature collision-free plasmas with finite Debye lengths

NASA Astrophysics Data System (ADS)

Kos, L.; Jelić, N.; Kuhn, S.; Tskhakaya, D. D.

2018-04-01

At present, identifying and characterizing the common plasma-sheath edge (PSE) in the conventional fluid approach leads to intrinsic oversimplifications, while the kinetic one results in unusable over-generalizations. In addition, none of these approaches can be justified in realistic plasmas, i.e., those which are characterized by non-negligible Debye lengths and a well-defined non-negligible ion temperature. In an attempt to resolve this problem, we propose a new formulation of the Bohm criterion [D. Bohm, The Characteristics of Electrical Discharges in Magnetic Fields (McGraw-Hill, New York, 1949)], which is here expressed in terms of fluid, kinetic, and electrostatic-pressure contributions. This "unified" Bohm criterion consists of a set of two equations for calculating the ion directional energy (i.e., the mean directional velocity) and the plasma potential at the common PSE, and is valid for arbitrary ion-to-electron temperature ratios. It turns out to be exact at any point of the quasi-neutral plasma provided that the ion differential polytropic coefficient function (DPCF) of Kuhn et al. [Phys. Plasmas 13, 013503 (2006)] is employed, with the advantage that the DPCF is an easily measurable fluid quantity. Moreover, our unified Bohm criterion holds in plasmas with finite Debye lengths, for which the famous kinetic criterion formulated by Harrison and Thompson [Proc. Phys. Soc. 74, 145 (1959)] fails. Unlike the kinetic criterion in the case of negligible Debye length, the kinetic contribution to the unified Bohm criterion, arising due to the presence of negative and zero velocities in the ion velocity distribution function, can be calculated separately from the fluid term. This kinetic contribution disappears identically at the PSE, yielding strict equality of the ion directional velocity there and the ion sound speed, provided that the latter is formulated in terms of the present definition of DPCFs. The numerical values of these velocities are found for the Tonks-Langmuir collision-free, plane-parallel discharge model [Phys. Rev. 34, 876 (1929)], however, with the ion-source temperature extended here from the original (zero) value to arbitrary high ones. In addition, it turns out, that the charge-density derivative (in the potential "space") with respect to the potential exhibits two characteristic points, i.e., potentials, namely the points of inflection and maximum of that derivative (in the potential space), which stay "fixed" at their respective potentials independent of the Debye length until it is kept fairly small. Plasma quasi-neutrality appears well satisfied up to the first characteristic point/potential, so we identify that one as the plasma edge (PE). Adopting the convention that the sheath is a region characterized by considerable electrostatic pressure (energy density), we identify the second characteristic point/potential as the sheath edge (SE). Between these points, the charge density increases from zero to a finite value. Thus, the interval between the PE and SE, with the "fixed" width (in the potential "space") of about one third of the electron temperature, will be named the plasma-sheath transition (PST). Outside the PST, the electrostatic-pressure term and its derivatives turn out to be nearly identical with each other, independent of the particular values of the ion temperature and Debye length. In contrast, an increase in Debye lengths from zero to finite values causes the location of the sonic point/potential (laying inside the PST) to shift from the PE (for vanishing Debye length) towards the SE, while at the same time, the absolute value of the corresponding ion-sound velocity slightly decreases. These shifts turn out to be manageable with employing the mathematical concept of the plasma-to-sheath transition (different from, but related to our natural PST concept), resulting in approximate, but sufficiently reliable semi-analytic expressions, which are functions of the ion temperature and Debye length.

Acoustic properties of a short-finned pilot whale head with insight into temperature influence on tissues' sound velocity.

PubMed

Dong, Jianchen; Song, Zhongchang; Li, Songhai; Gong, Zining; Li, Kuan; Zhang, Peijun; Zhang, Yu; Zhang, Meng

2017-10-01

Acoustic properties of odontocete head tissues, including sound velocity, density, and acoustic impedance, are important parameters to understand dynamics of its echolocation. In this paper, acoustic properties of head tissues from a freshly dead short-finned pilot whale (Globicephala macrorhynchus) were reconstructed using computed tomography (CT) and ultrasound. The animal's forehead soft tissues were cut into 188 ordered samples. Sound velocity, density, and acoustic impedance of each sample were either directly measured or calculated by formula, and Hounsfield Unit values (HUs) were obtained from CT scanning. According to relationships between HUs and sound velocity, HUs and density, as well as HUs and acoustic impedance, distributions of acoustic properties in the head were reconstructed. The inner core in the melon with low-sound velocity and low-density is an evidence for its potential function of sound focusing. The increase in acoustic impedance of forehead tissues from inner core to outer layer may be important for the acoustic impedance matching between the outer layer tissue and seawater. In addition, temperature dependence of sound velocity in soft tissues was also examined. The results provide a guide to the simulation of the sound emission of the short-finned pilot whale.

Pulse Power Capability Of High Energy Density Capacitors Based on a New Dielectric Material

NASA Technical Reports Server (NTRS)

Winsor, Paul; Scholz, Tim; Hudis, Martin; Slenes, Kirk M.

1999-01-01

A new dielectric composite consisting of a polymer coated onto a high-density metallized Kraft has been developed for application in high energy density pulse power capacitors. The polymer coating is custom formulated for high dielectric constant and strength with minimum dielectric losses. The composite can be wound and processed using conventional wound film capacitor manufacturing equipment. This new system has the potential to achieve 2 to 3 J/cu cm whole capacitor energy density at voltage levels above 3.0 kV, and can maintain its mechanical properties to temperatures above 150 C. The technical and manufacturing development of the composite material and fabrication into capacitors are summarized in this paper. Energy discharge testing, including capacitance and charge-discharge efficiency at normal and elevated temperatures, as well as DC life testing were performed on capacitors manufactured using this material. TPL (Albuquerque, NM) has developed the material and Aerovox (New Bedford, MA) has used the material to build and test actual capacitors. The results of the testing will focus on pulse power applications specifically those found in electro-magnetic armor and guns, high power microwave sources and defibrillators.

Effect of q-nonextensive parameter and saturation time on electron density steepening in electron-positron-ion plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hashemzadeh, M., E-mail: hashemzade@gmail.com

2015-11-15

The effect of q-nonextensive parameter and saturation time on the electron density steepening in electron-positron-ion plasmas is studied by particle in cell method. Phase space diagrams show that the size of the holes, and consequently, the number of trapped particles strongly depends on the q-parameter and saturation time. Furthermore, the mechanism of the instability and exchange of energy between electron-positron and electric field is explained by the profiles of the energy density. Moreover, it is found that the q-parameter, saturation time, and electron and positron velocities affect the nonlinear evolution of the electron density which leads to the steepening ofmore » its structure. The q-nonextensive parameter or degree of nonextensivity is the relation between temperature gradient and potential energy of the system. Therefore, the deviation of q-parameter from unity indicates the degree of inhomogeneity of temperature or deviation from equilibrium. Finally, using the kinetic theory, a generalized q-dispersion relation is presented for electron-positron-ion plasma systems. It is found that the simulation results in the linear regime are in good agreement with the growth rate results obtained by the kinetic theory.« less

Volume and density changes of biological fluids with temperature

NASA Technical Reports Server (NTRS)

Hinghofer-Szalkay, H.

1985-01-01

The thermal expansion of human blood, plasma, ultrafiltrate, and erythrocycte concentration at temperatures in the range of 4-48 C is studied. The mechanical oscillator technique which has an accuracy of 1 x 10 to the -5 th g/ml is utilized to measure fluid density. The relationship between thermal expansion, density, and temperature is analyzed. The study reveals that: (1) thermal expansion increases with increasing temperature; (2) the magnitude of the increase declines with increasing temperature; (3) thermal expansion increases with density at temperatures below 40 C; and (4) the thermal expansion of intracellular fluid is greater than that of extracellular fluid in the temperature range of 4-10 C, but it is equal at temperatures greater than or equal to 40 C.

Macromolecular refinement by model morphing using non-atomic parameterizations.

PubMed

Cowtan, Kevin; Agirre, Jon

2018-02-01

Refinement is a critical step in the determination of a model which explains the crystallographic observations and thus best accounts for the missing phase components. The scattering density is usually described in terms of atomic parameters; however, in macromolecular crystallography the resolution of the data is generally insufficient to determine the values of these parameters for individual atoms. Stereochemical and geometric restraints are used to provide additional information, but produce interrelationships between parameters which slow convergence, resulting in longer refinement times. An alternative approach is proposed in which parameters are not attached to atoms, but to regions of the electron-density map. These parameters can move the density or change the local temperature factor to better explain the structure factors. Varying the size of the region which determines the parameters at a particular position in the map allows the method to be applied at different resolutions without the use of restraints. Potential applications include initial refinement of molecular-replacement models with domain motions, and potentially the use of electron density from other sources such as electron cryo-microscopy (cryo-EM) as the refinement model.

Influence of sample preparation on the transformation of low-density to high-density amorphous ice: An explanation based on the potential energy landscape

NASA Astrophysics Data System (ADS)

Giovambattista, Nicolas; Starr, Francis W.; Poole, Peter H.

2017-07-01

Experiments and computer simulations of the transformations of amorphous ices display different behaviors depending on sample preparation methods and on the rates of change of temperature and pressure to which samples are subjected. In addition to these factors, simulation results also depend strongly on the chosen water model. Using computer simulations of the ST2 water model, we study how the sharpness of the compression-induced transition from low-density amorphous ice (LDA) to high-density amorphous ice (HDA) is influenced by the preparation of LDA. By studying LDA samples prepared using widely different procedures, we find that the sharpness of the LDA-to-HDA transformation is correlated with the depth of the initial LDA sample in the potential energy landscape (PEL), as characterized by the inherent structure energy. Our results show that the complex phenomenology of the amorphous ices reported in experiments and computer simulations can be understood and predicted in a unified way from knowledge of the PEL of the system.

Divergence of activity expansions: Is it actually a problem?

NASA Astrophysics Data System (ADS)

Ushcats, M. V.; Bulavin, L. A.; Sysoev, V. M.; Ushcats, S. Yu.

2017-12-01

For realistic interaction models, which include both molecular attraction and repulsion (e.g., Lennard-Jones, modified Lennard-Jones, Morse, and square-well potentials), the asymptotic behavior of the virial expansions for pressure and density in powers of activity has been studied taking power terms of high orders into account on the basis of the known finite-order irreducible integrals as well as the recent approximations of infinite irreducible series. Even in the divergence region (at subcritical temperatures), this behavior stays thermodynamically adequate (in contrast to the behavior of the virial equation of state with the same set of irreducible integrals) and corresponds to the beginning of the first-order phase transition: the divergence yields the jump (discontinuity) in density at constant pressure and chemical potential. In general, it provides a statistical explanation of the condensation phenomenon, but for liquid or solid states, the physically proper description (which can turn the infinite discontinuity into a finite jump of density) still needs further study of high-order cluster integrals and, especially, their real dependence on the system volume (density).

Thermoelectric Generation Using Counter-Flows of Ideal Fluids

NASA Astrophysics Data System (ADS)

Meng, Xiangning; Lu, Baiyi; Zhu, Miaoyong; Suzuki, Ryosuke O.

2017-08-01

Thermoelectric (TE) performance of a three-dimensional (3-D) TE module is examined by exposing it between a pair of counter-flows of ideal fluids. The ideal fluids are thermal sources of TE module flow in the opposite direction at the same flow rate and generate temperature differences on the hot and cold surfaces due to their different temperatures at the channel inlet. TE performance caused by different inlet temperatures of thermal fluids are numerically analyzed by using the finite-volume method on 3-D meshed physical models and then compared with those using a constant boundary temperature. The results show that voltage and current of the TE module increase gradually from a beginning moment to a steady flow and reach a stable value. The stable values increase with inlet temperature of the hot fluid when the inlet temperature of cold fluid is fixed. However, the time to get to the stable values is almost consistent for all the temperature differences. Moreover, the trend of TE performance using a fluid flow boundary is similar to that of using a constant boundary temperature. Furthermore, 3-D contours of fluid pressure, temperature, enthalpy, electromotive force, current density and heat flux are exhibited in order to clarify the influence of counter-flows of ideal fluids on TE generation. The current density and heat flux homogeneously distribute on an entire TE module, thus indicating that the counter-flows of thermal fluids have high potential to bring about fine performance for TE modules.

Structure of Room Temperature Ionic Liquids on Charged Graphene: An integrated experimental and computational study

NASA Astrophysics Data System (ADS)

Uysal, Ahmet; Zhou, Hua; Lee, Sang Soo; Fenter, Paul; Feng, Guang; Li, Song; Cummings, Peter; Fulvio, Pasquale; Dai, Sheng; McDonough, Jake; Gogotsi, Yury

2014-03-01

Electrical double layer capacitors (EDLCs) with room temperature ionic liquid (RTIL) electrolytes and carbon electrodes are promising candidates for energy storage devices with high power density and long cycle life. We studied the potential and time dependent changes in the electric double layer (EDL) structure of an imidazolium-based room temperature ionic liquid (RTIL) electrolyte at an epitaxial graphene (EG) surface. We used in situ x-ray reflectivity (XR) to determine the EDL structure at static potentials, during cyclic voltammetry (CV) and potential step measurements. The static potential structures were also investigated with fully atomistic molecular dynamics (MD) simulations. Combined XR and MD results show that the EDL structure has alternating anion/cation layers within the first nanometer of the interface. The dynamical response of the EDL to potential steps has a slow component (>10 s) and the RTIL structure shows hysteresis during CV scans. We propose a conceptual model that connects nanoscale interfacial structure to the macroscopic measurements. This material is based upon work supported as part of the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science (SC), Office of Basic Energy

Development of a classical force field for the oxidized Si surface: application to hydrophilic wafer bonding.

PubMed

Cole, Daniel J; Payne, Mike C; Csányi, Gábor; Spearing, S Mark; Colombi Ciacchi, Lucio

2007-11-28

We have developed a classical two- and three-body interaction potential to simulate the hydroxylated, natively oxidized Si surface in contact with water solutions, based on the combination and extension of the Stillinger-Weber potential and of a potential originally developed to simulate SiO(2) polymorphs. The potential parameters are chosen to reproduce the structure, charge distribution, tensile surface stress, and interactions with single water molecules of a natively oxidized Si surface model previously obtained by means of accurate density functional theory simulations. We have applied the potential to the case of hydrophilic silicon wafer bonding at room temperature, revealing maximum room temperature work of adhesion values for natively oxidized and amorphous silica surfaces of 97 and 90 mJm(2), respectively, at a water adsorption coverage of approximately 1 ML. The difference arises from the stronger interaction of the natively oxidized surface with liquid water, resulting in a higher heat of immersion (203 vs 166 mJm(2)), and may be explained in terms of the more pronounced water structuring close to the surface in alternating layers of larger and smaller densities with respect to the liquid bulk. The computed force-displacement bonding curves may be a useful input for cohesive zone models where both the topographic details of the surfaces and the dependence of the attractive force on the initial surface separation and wetting can be taken into account.

Spin Seebeck effect and thermal colossal magnetoresistance in Christmas-tree silicene nanoribbons

NASA Astrophysics Data System (ADS)

Gao, Xiu-Jin; Zhao, Peng; Chen, Gang

2018-05-01

Based on the density functional theory and nonequilibrium Green's function method, we investigate the electronic structures and thermal spin transport properties of Christmas-tree silicene nanoribbons (CSiNRs). The results show that CSiNRs have ferromagnetic ground state with high Curie temperature far above the room temperature. Obvious spin Seebeck effect with spin-up and spin-down currents flowing in opposite directions by a temperature gradient can be observed in these systems. Furthermore, a thermal colossal magnetoresistance up to 109% can be realized by tuning the external magnetic field. The results show that CSiNRs hold great potential in designing spin caloritronic devices.

State of charge monitoring of vanadium redox flow batteries using half cell potentials and electrolyte density

NASA Astrophysics Data System (ADS)

Ressel, Simon; Bill, Florian; Holtz, Lucas; Janshen, Niklas; Chica, Antonio; Flower, Thomas; Weidlich, Claudia; Struckmann, Thorsten

2018-02-01

The operation of vanadium redox flow batteries requires reliable in situ state of charge (SOC) monitoring. In this study, two SOC estimation approaches for the negative half cell are investigated. First, in situ open circuit potential measurements are combined with Coulomb counting in a one-step calibration of SOC and Nernst potential which doesn't need additional reference SOCs. In-sample and out-of-sample SOCs are estimated and analyzed, estimation errors ≤ 0.04 are obtained. In the second approach, temperature corrected in situ electrolyte density measurements are used for the first time in vanadium redox flow batteries for SOC estimation. In-sample and out-of-sample SOC estimation errors ≤ 0.04 demonstrate the feasibility of this approach. Both methods allow recalibration during battery operation. The actual capacity obtained from SOC calibration can be used in a state of health model.

Simulation of turbulence in the divertor region of tokamak edge plasma

NASA Astrophysics Data System (ADS)

Umansky, M. V.; Rognlien, T. D.; Xu, X. Q.

2005-03-01

Results are presented for turbulence simulations with the fluid edge turbulence code BOUT [X.Q. Xu, R.H. Cohen, Contr. Plas. Phys. 36 (1998) 158]. The present study is focussed on turbulence in the divertor leg region and on the role of the X-point in the structure of turbulence. Results of the present calculations indicate that the ballooning effects are important for the divertor fluctuations. The X-point shear leads to weak correlation of turbulence across the X-point regions, in particular for large toroidal wavenumber. For the saturated amplitudes of the divertor region turbulence it is found that amplitudes of density fluctuations are roughly proportional to the local density of the background plasma. The amplitudes of electron temperature and electric potential fluctuations are roughly proportional to the local electron temperature of the background plasma.

The equation of state of n-pentane in the atomistic model TraPPE-EH

NASA Astrophysics Data System (ADS)

Valeev, B. U.; Pisarev, V. V.

2018-01-01

In this work, we study the vapor-liquid equilibrium in n-pentane. We use the TraPPE-EH (transferable potentials for phase equilibria-explicit hydrogen) forcefield, where each hydrogen and carbon atom is considered as independent center of force. The fluid behavior was investigated with different values of density and temperature by molecular dynamics method. The n-pentane evaporation curve was calculated in the temperature range of 290 to 390 K. The densities of the coexisting phases are also calculated. The compression curve at 370 K was calculated and isothermal bulk modulus was found. The simulated properties of n-pentane are in good agreement with data from a database of the National Institute of Standards and Technology, so the TraPPE-EH model can be recommended for simulations of hydrocarbons.

Winds and temperatures of the Arctic middle atmosphere during January measured by Doppler lidar

NASA Astrophysics Data System (ADS)

Hildebrand, Jens; Baumgarten, Gerd; Fiedler, Jens; Lübken, Franz-Josef

2017-11-01

We present an extensive data set of simultaneous temperature and wind measurements in the Arctic middle atmosphere. It consists of more than 300 h of Doppler Rayleigh lidar observations obtained during three January seasons (2012, 2014, and 2015) and covers the altitude range from 30 km up to about 85 km. The data set reveals large year-to-year variations in monthly mean temperatures and winds, which in 2012 are affected by a sudden stratospheric warming. The temporal evolution of winds and temperatures after that warming are studied over a period of 2 weeks, showing an elevated stratopause and the reformation of the polar vortex. The monthly mean temperatures and winds are compared to data extracted from the Integrated Forecast System of the European Centre for Medium-Range Weather Forecasts (ECMWF) and the Horizontal Wind Model (HWM07). Lidar and ECMWF data show good agreement of mean zonal and meridional winds below ≈ 55 km altitude, but we also find mean temperature, zonal wind, and meridional wind differences of up to 20 K, 20 m s-1, and 5 m s-1, respectively. Differences between lidar observations and HWM07 data are up to 30 m s-1. From the fluctuations of temperatures and winds within single nights we extract the potential and kinetic gravity wave energy density (GWED) per unit mass. It shows that the kinetic GWED is typically 5 to 10 times larger than the potential GWED, the total GWED increases with altitude with a scale height of ≈ 16 km. Since temporal fluctuations of winds and temperatures are underestimated in ECMWF, the total GWED is underestimated as well by a factor of 3-10 above 50 km altitude. Similarly, we estimate the energy density per unit mass for large-scale waves (LWED) from the fluctuations of nightly mean temperatures and winds. The total LWED is roughly constant with altitude. The ratio of kinetic to potential LWED varies with altitude over 2 orders of magnitude. LWEDs from ECMWF data show results similar to the lidar data. From the comparison of GWED and LWED, it follows that large-scale waves carry about 2 to 5 times more energy than gravity waves.

Indexing of exoplanets in search for potential habitability: application to Mars-like worlds

NASA Astrophysics Data System (ADS)

Kashyap Jagadeesh, Madhu; Gudennavar, Shivappa B.; Doshi, Urmi; Safonova, Margarita

2017-08-01

Study of exoplanets is one of the main goals of present research in planetary sciences and astrobiology. Analysis of huge planetary data from space missions such as CoRoT and Kepler is directed ultimately at finding a planet similar to Earth—the Earth's twin, and answering the question of potential exo-habitability. The Earth Similarity Index (ESI) is a first step in this quest, ranging from 1 (Earth) to 0 (totally dissimilar to Earth). It was defined for the four physical parameters of a planet: radius, density, escape velocity and surface temperature. The ESI is further sub-divided into interior ESI (geometrical mean of radius and density) and surface ESI (geometrical mean of escape velocity and surface temperature). The challenge here is to determine which exoplanet parameter(s) is important in finding this similarity; how exactly the individual parameters entering the interior ESI and surface ESI are contributing to the global ESI. Since the surface temperature entering surface ESI is a non-observable quantity, it is difficult to determine its value. Using the known data for the Solar System objects, we established the calibration relation between surface and equilibrium temperatures to devise an effective way to estimate the value of the surface temperature of exoplanets. ESI is a first step in determining potential exo-habitability that may not be very similar to a terrestrial life. A new approach, called Mars Similarity Index (MSI), is introduced to identify planets that may be habitable to the extreme forms of life. MSI is defined in the range between 1 (present Mars) and 0 (dissimilar to present Mars) and uses the same physical parameters as ESI. We are interested in Mars-like planets to search for planets that may host the extreme life forms, such as the ones living in extreme environments on Earth; for example, methane on Mars may be a product of the methane-specific extremophile life form metabolism.

Molecular simulation of the thermodynamic, structural, and vapor-liquid equilibrium properties of neon

NASA Astrophysics Data System (ADS)

Vlasiuk, Maryna; Frascoli, Federico; Sadus, Richard J.

2016-09-01

The thermodynamic, structural, and vapor-liquid equilibrium properties of neon are comprehensively studied using ab initio, empirical, and semi-classical intermolecular potentials and classical Monte Carlo simulations. Path integral Monte Carlo simulations for isochoric heat capacity and structural properties are also reported for two empirical potentials and one ab initio potential. The isobaric and isochoric heat capacities, thermal expansion coefficient, thermal pressure coefficient, isothermal and adiabatic compressibilities, Joule-Thomson coefficient, and the speed of sound are reported and compared with experimental data for the entire range of liquid densities from the triple point to the critical point. Lustig's thermodynamic approach is formally extended for temperature-dependent intermolecular potentials. Quantum effects are incorporated using the Feynman-Hibbs quantum correction, which results in significant improvement in the accuracy of predicted thermodynamic properties. The new Feynman-Hibbs version of the Hellmann-Bich-Vogel potential predicts the isochoric heat capacity to an accuracy of 1.4% over the entire range of liquid densities. It also predicts other thermodynamic properties more accurately than alternative intermolecular potentials.

Can we approach the gas-liquid critical point using slab simulations of two coexisting phases?

PubMed

Goujon, Florent; Ghoufi, Aziz; Malfreyt, Patrice; Tildesley, Dominic J

2016-09-28

In this paper, we demonstrate that it is possible to approach the gas-liquid critical point of the Lennard-Jones fluid by performing simulations in a slab geometry using a cut-off potential. In the slab simulation geometry, it is essential to apply an accurate tail correction to the potential energy, applied during the course of the simulation, to study the properties of states close to the critical point. Using the Janeček slab-based method developed for two-phase Monte Carlo simulations [J. Janec̆ek, J. Chem. Phys. 131, 6264 (2006)], the coexisting densities and surface tension in the critical region are reported as a function of the cutoff distance in the intermolecular potential. The results obtained using slab simulations are compared with those obtained using grand canonical Monte Carlo simulations of isotropic systems and the finite-size scaling techniques. There is a good agreement between these two approaches. The two-phase simulations can be used in approaching the critical point for temperatures up to 0.97 T C ∗ (T ∗ = 1.26). The critical-point exponents describing the dependence of the density, surface tension, and interfacial thickness on the temperature are calculated near the critical point.

Oxygen vacancy doping of hematite analyzed by electrical conductivity and thermoelectric power measurements

NASA Astrophysics Data System (ADS)

Mock, Jan; Klingebiel, Benjamin; Köhler, Florian; Nuys, Maurice; Flohre, Jan; Muthmann, Stefan; Kirchartz, Thomas; Carius, Reinhard

2017-11-01

Hematite (α -F e2O3 ) is known for poor electronic transport properties, which are the main drawback of this material for optoelectronic applications. In this study, we investigate the concept of enhancing electrical conductivity by the introduction of oxygen vacancies during temperature treatment under low oxygen partial pressure. We demonstrate the possibility of tuning the conductivity continuously by more than five orders of magnitude during stepwise annealing in a moderate temperature range between 300 and 620 K. With thermoelectric power measurements, we are able to attribute the improvement of the electrical conductivity to an enhanced charge-carrier density by more than three orders of magnitude. We compare the oxygen vacancy doping of hematite thin films with hematite nanoparticle layers. Thereby we show that the dominant potential barrier that limits charge transport is either due to grain boundaries in hematite thin films or due to potential barriers that occur at the contact area between the nanoparticles, rather than the potential barrier within the small polaron hopping model, which is usually applied for hematite. Furthermore, we discuss the transition from oxygen-deficient hematite α -F e2O3 -x towards the magnetite F e3O4 phase of iron oxide at high density of vacancies.

Predicting possible effects of H2S impurity on CO2 transportation and geological storage.

PubMed

Ji, Xiaoyan; Zhu, Chen

2013-01-02

For CO(2) geological storage, permitting impurities, such as H(2)S, in CO(2) streams can lead to a great potential for capital and energy savings for CO(2) capture and separation, but it also increases costs and risk management for transportation and storage. To evaluate the cost-benefits, using a recently developed model (Ji, X.; Zhu, C. Geochim. Cosmochim. Acta 2012, 91, 40-59), this study predicts phase equilibria and thermodynamic properties of the system H(2)S-CO(2)-H(2)O-NaCl under transportation and storage conditions and discusses potential effects of H(2)S on transportation and storage. The prediction shows that inclusion of H(2)S in CO(2) streams may lead to two-phase flow. For H(2)S-CO(2) mixtures, at a given temperature, the bubble and dew pressures decrease with increasing H(2)S content, while the mass density increases at low pressures and decreases at high pressures. For the CO(2)-H(2)S-H(2)O system, the total gas solubility increases while the mass density of the aqueous solution with dissolved gas decreases. For the CO(2)-H(2)S-H(2)O-NaCl system, at a given temperature, pressure and NaCl concentration, the solubility of the gas mixture in aqueous phase increases with increasing H(2)S content and then decreases, while the mass density of aqueous solution decreases and may be lower than the mass density of the solution without gas dissolution.

Molecular simulation of CO chemisorption on Co(0001) in presence of supercritical fluid solvent: A potential of mean force study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Asiaee, Alireza; Benjamin, Kenneth M., E-mail: kenneth.benjamin@sdsmt.edu

2016-08-28

For several decades, heterogeneous catalytic processes have been improved through utilizing supercritical fluids (SCFs) as solvents. While numerous experimental studies have been established across a range of chemistries, such as oxidation, pyrolysis, amination, and Fischer-Tropsch synthesis, still there is little fundamental, molecular-level information regarding the role of the SCF on elementary heterogeneous catalytic steps. In this study, the influence of hexane solvent on the adsorption of carbon monoxide on Co(0001), as the first step in the reaction mechanism of many processes involving syngas conversion, is probed. Simulations are performed at various bulk hexane densities, ranging from ideal gas conditions (nomore » SCF hexane) to various near- and super-critical hexane densities. For this purpose, both density functional theory and molecular dynamics simulations are employed to determine the adsorption energy and free energy change during CO chemisorption. Potential of mean force calculations, utilizing umbrella sampling and the weighted histogram analysis method, provide the first commentary on SCF solvent effects on the energetic aspects of the chemisorption process. Simulation results indicate an enhanced stability of CO adsorption on the catalyst surface in the presence of supercritical hexane within the reduced pressure range of 1.0–1.5 at a constant temperature of 523 K. Furthermore, it is shown that the maximum stability of CO in the adsorbed state as a function of supercritical hexane density at 523 K nearly coincides with the maximum isothermal compressibility of bulk hexane at this temperature.« less

Beyond the dynamic density functional theory for steady currents: application to driven colloidal particles in a channel.

PubMed

Tarazona, P; Marini Bettolo Marconi, Umberto

2008-04-28

Motivated by recent studies on the dynamics of colloidal solutions in narrow channels, we consider the steady state properties of an assembly of noninteracting particles subject to the action of a traveling potential moving at a constant speed, while the solvent is modeled by a heat bath at rest in the laboratory frame. Here, since the description we propose takes into account the inertia of the colloidal particles, it is necessary to consider the evolution of both positions and momenta and study the governing equation for the one-particle phase-space distribution. First, we derive the asymptotic form of its solutions as an expansion in Hermite polynomials and their generic properties, such as the force and energy balance, and then we particularize our study to the case of an inverted parabolic potential barrier. We numerically obtain the steady state density and temperature profile and show that the expansion is rapidly convergent for large values of the friction constant and small drifting velocities. On the one hand, the present results confirm the previous studies based on the dynamic density functional theory (DDFT): On the other hand, when the friction constant is large, it display effects such as the presence of a wake behind the barrier and a strong inhomogeneity in the temperature field which are beyond the DDFT description.

Enhanced discharge energy density of rGO/PVDF nanocomposites: The role of the heterointerface

NASA Astrophysics Data System (ADS)

Zhang, Ye; Wang, Yaqiong; Qi, Shaojun; Dunn, Steve; Dong, Hanshan; Button, Tim

2018-05-01

Recent reports of conductive-filler/polymer composites with large dielectric permittivity (K) make them potential candidates for flexible capacitors. Hence, an interesting question is how these high K composites behave under a strong electric field strength. In this letter, we use in-situ-reduced graphite oxide (rGO)/poly(vinylidene fluoride) (PVDF) nanocomposites as an example to study the energy storage behaviour of high K materials. We show the dielectric behaviour contrasts between weak and strong fields. High K materials inevitably become more lossy with increasing field strength. Simultaneously, we reveal that the in-situ reduction temperature can affect the energy storage performance. Improved energy storage performance is achieved for a nanocomposite reduced at a moderate temperature. When reduced at 160 °C, a device with an rGO volume fraction of 1.5 vol. % displayed a discharge energy density of 0.67 J/cm3 at 50 MV/m. This was 2.9 times greater than pure PVDF. We develop a model to explain this behaviour that proposes a reduced electrical contrast of the rGO/PVDF heterointerface minimising the recombination of localized charge carriers. Our results indicate, simultaneously, the potential and limitation of high K nanocomposites and shed light on the optimisation of the design and fabrication of high discharge energy density flexible capacitors for microelectronic devices.

Increased electron temperature turbulence during suppression of edge localized mode by resonant magnetic perturbations in the DIII-D tokamak [Increased electron temperature turbulence during edge localized mode (ELM) suppression by resonant magnetic perturbations (RMPs) in the DIII-D tokamak

DOE PAGES

Sung, Choongki; Wang, G.; Rhodes, Terry L.; ...

2017-11-16

We report the first observation of increased edge electron temperature turbulence correlated with changes in gradients and the ELM suppression time which occurs after the application of resonant magnetic perturbations (RMP) on DIII-D H-mode plasmas. This increase (T ~ e/T e approximately doubles) occurs in the region extending from the top of the pedestal outward to the upper part of the edge steep gradient region. This is significant as it is consistent with increased turbulence driven transport potentially replacing some part of the edge localized mode (ELM) driven transport. However, temperature turbulence does not change with the initial RMP applicationmore » while ELMs are still present, indicating the turbulence changes are not causative in the development of ELM suppression or initial profile evolution with RMP – but rather a response to these effects. This temperature turbulence is broadband and long wavelength, k θρ s < 0.5, where k θ = poloidal wavenumber, ρ s = ion sound gyroradius. As has been reported previously, long wavelength density turbulence (k θρ s < 1.0) in the same location also increases after ELMs were suppressed by the RMP. Since the decrease of the density starts nearly immediately with RMP application, these results suggest that the so-called RMP “density pump-out” is not linked to these long wavelength turbulent transport changes. Comparison with linear stability analysis finds both consistencies and inconsistencies in this important region.« less

Increased electron temperature turbulence during suppression of edge localized mode by resonant magnetic perturbations in the DIII-D tokamak [Increased electron temperature turbulence during edge localized mode (ELM) suppression by resonant magnetic perturbations (RMPs) in the DIII-D tokamak

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sung, Choongki; Wang, G.; Rhodes, Terry L.

We report the first observation of increased edge electron temperature turbulence correlated with changes in gradients and the ELM suppression time which occurs after the application of resonant magnetic perturbations (RMP) on DIII-D H-mode plasmas. This increase (T ~ e/T e approximately doubles) occurs in the region extending from the top of the pedestal outward to the upper part of the edge steep gradient region. This is significant as it is consistent with increased turbulence driven transport potentially replacing some part of the edge localized mode (ELM) driven transport. However, temperature turbulence does not change with the initial RMP applicationmore » while ELMs are still present, indicating the turbulence changes are not causative in the development of ELM suppression or initial profile evolution with RMP – but rather a response to these effects. This temperature turbulence is broadband and long wavelength, k θρ s < 0.5, where k θ = poloidal wavenumber, ρ s = ion sound gyroradius. As has been reported previously, long wavelength density turbulence (k θρ s < 1.0) in the same location also increases after ELMs were suppressed by the RMP. Since the decrease of the density starts nearly immediately with RMP application, these results suggest that the so-called RMP “density pump-out” is not linked to these long wavelength turbulent transport changes. Comparison with linear stability analysis finds both consistencies and inconsistencies in this important region.« less

Fabrication and electrical characterization of Al/diazo compound containing polyoxy chain/p-Si device structure

NASA Astrophysics Data System (ADS)

Birel, Ozgul; Kavasoglu, Nese; Kavasoglu, A. Sertap; Dincalp, Haluk; Metin, Bengul

2013-03-01

Diazo-compounds are important class of chemical compounds in terms of optical and electronic properties which make them potentially attractive for device applications. Diazo compound containing polyoxy chain has been deposited on p-Si. Current-voltage characteristics of Al/diazo compound containing polyoxy chain/p-Si structure present rectifying behaviour. The Schottky barrier height (SBH), diode factor (n), reverse saturation current (Io), interface state density (Nss) of Al/diazo compound containing polyoxy chain/p-Si structure have been calculated from experimental forward bias current-voltage data measured in the temperature range 100-320 K and capacitance-voltage data measured at room temperature and 1 MHz. The calculated values of SBH have ranged from 0.041 and 0.151 eV for the high and low temperature regions. Diode factor values fluctuate between the values 14 and 18 with temperature. Such a high diode factors stem from disordered interface layer in a junction structure as stated by Brötzmann et al. [M. Brötzmann, U. Vetter, H. Hofsäss, J. Appl. Phys. 106 (2009) 063704]. The calculated values of saturation current have ranged from 3×10-11 A to 2.79×10-7 A and interface state density have ranged from 5×1011 eV-1 cm-2 and 4×1013 eV-1 cm-2 as temperature increases. Results show that Al/diazo compound containing polyoxy chain/p-Si structure is a valuable candidate for device applications in terms of low reverse saturation current and low interface state density.

Correlation of Coronal Plasma Properties and Solar Magnetic Field in a Decaying Active Region

NASA Technical Reports Server (NTRS)

Ko, Yuan-Kuen; Young, Peter R.; Muglach, Karin; Warren, Harry P.; Ugarte-Urra, Ignacio

2016-01-01

We present the analysis of a decaying active region observed by the EUV Imaging Spectrometer on Hinode during 2009 December 7-11. We investigated the temporal evolution of its structure exhibited by plasma at temperatures from 300,000 to 2.8 million degrees, and derived the electron density, differential emission measure, effective electron temperature, and elemental abundance ratios of Si/S and Fe/S (as a measure of the First Ionization Potential (FIP) Effect). We compared these coronal properties to the temporal evolution of the photospheric magnetic field strength obtained from the Solar and Heliospheric Observatory Michelson Doppler Imager magnetograms. We find that, while these coronal properties all decreased with time during this decay phase, the largest change was at plasma above 1.5 million degrees. The photospheric magnetic field strength also decreased with time but mainly for field strengths lower than about 70 Gauss. The effective electron temperature and the FIP bias seem to reach a basal state (at 1.5 x 10(exp 6) K and 1.5, respectively) into the quiet Sun when the mean photospheric magnetic field (excluding all areas <10 G) weakened to below 35 G, while the electron density continued to decrease with the weakening field. These physical properties are all positively correlated with each other and the correlation is the strongest in the high-temperature plasma. Such correlation properties should be considered in the quest for our understanding of how the corona is heated. The variations in the elemental abundance should especially be considered together with the electron temperature and density.

Identification of structural motifs as tunneling two-level systems in amorphous alumina at low temperatures

NASA Astrophysics Data System (ADS)

Paz, Alejandro Pérez; Lebedeva, Irina V.; Tokatly, Ilya V.; Rubio, Angel

2014-12-01

One of the most accepted models that describe the anomalous thermal behavior of amorphous materials at temperatures below 1 K relies on the quantum mechanical tunneling of atoms between two nearly equivalent potential energy wells forming a two-level system (TLS). Indirect evidence for TLSs is widely available. However, the atomistic structure of these TLSs remains an unsolved topic in the physics of amorphous materials. Here, using classical molecular dynamics, we found several hitherto unknown bistable structural motifs that may be key to understanding the anomalous thermal properties of amorphous alumina at low temperatures. We show through free energy profiles that the complex potential energy surface can be reduced to canonical TLSs. The tunnel splitting predicted from instanton theory, the number density, dipole moment, and coupling to external strain of the discovered motifs are consistent with experiments.

Thermal Fatigue Limitations of Continuous Fiber Metal Matrix Composites

NASA Technical Reports Server (NTRS)

Halford, Gary R.; Arya, Vinod K.

1997-01-01

The potential structural benefits of unidirectional, continuous-fiber, metal matrix composites (MMC's) are legendary. When compared to their monolithic matrices, MMC's possess superior properties such as higher stiffness and tensile strength, and lower coefficient of thermal expansion in the direction of the reinforcing fibers. As an added bonus, the MMC density will be lower if the fibers are less dense than the matrix matErial they replace. The potential has been demonstrated unequivocally both analytically and experimentally, especially at ambient temperatures. Successes prompted heavily-funded National efforts within the United States (USAF and NASA) and elsewhere to extend the promise of MMC's into the temperature regime wherein creep, stress relaxation, oxidation, and thermal fatigue damage mechanisms lurk. This is the very regime for which alternative high-temperature materials are becoming mandatory, since further enhancement of state- of-the-art monolithic alloys is rapidly approaching a point of diminishing returns.

A Time-dependent Heliospheric Model Driven by Empirical Boundary Conditions

NASA Astrophysics Data System (ADS)

Kim, T. K.; Arge, C. N.; Pogorelov, N. V.

2017-12-01

Consisting of charged particles originating from the Sun, the solar wind carries the Sun's energy and magnetic field outward through interplanetary space. The solar wind is the predominant source of space weather events, and modeling the solar wind propagation to Earth is a critical component of space weather research. Solar wind models are typically separated into coronal and heliospheric parts to account for the different physical processes and scales characterizing each region. Coronal models are often coupled with heliospheric models to propagate the solar wind out to Earth's orbit and beyond. The Wang-Sheeley-Arge (WSA) model is a semi-empirical coronal model consisting of a potential field source surface model and a current sheet model that takes synoptic magnetograms as input to estimate the magnetic field and solar wind speed at any distance above the coronal region. The current version of the WSA model takes the Air Force Data Assimilative Photospheric Flux Transport (ADAPT) model as input to provide improved time-varying solutions for the ambient solar wind structure. When heliospheric MHD models are coupled with the WSA model, density and temperature at the inner boundary are treated as free parameters that are tuned to optimal values. For example, the WSA-ENLIL model prescribes density and temperature assuming momentum flux and thermal pressure balance across the inner boundary of the ENLIL heliospheric MHD model. We consider an alternative approach of prescribing density and temperature using empirical correlations derived from Ulysses and OMNI data. We use our own modeling software (Multi-scale Fluid-kinetic Simulation Suite) to drive a heliospheric MHD model with ADAPT-WSA input. The modeling results using the two different approaches of density and temperature prescription suggest that the use of empirical correlations may be a more straightforward, consistent method.

Density and temperature characterization of long-scale length, near-critical density controlled plasma produced from ultra-low density plastic foam

PubMed Central

Chen, S. N.; Iwawaki, T.; Morita, K.; Antici, P.; Baton, S. D.; Filippi, F.; Habara, H.; Nakatsutsumi, M.; Nicolaï , P.; Nazarov, W.; Rousseaux, C.; Starodubstev, M.; Tanaka, K. A.; Fuchs, J.

2016-01-01

The ability to produce long-scale length (i.e. millimeter scale-length), homogeneous plasmas is of interest in studying a wide range of fundamental plasma processes. We present here a validated experimental platform to create and diagnose uniform plasmas with a density close or above the critical density. The target consists of a polyimide tube filled with an ultra low-density plastic foam where it was heated by x-rays, produced by a long pulse laser irradiating a copper foil placed at one end of the tube. The density and temperature of the ionized foam was retrieved by using x-ray radiography and proton radiography was used to verify the uniformity of the plasma. Plasma temperatures of 5–10 eV and densities around 1021 cm−3 are measured. This well-characterized platform of uniform density and temperature plasma is of interest for experiments using large-scale laser platforms conducting High Energy Density Physics investigations. PMID:26923471

Energy Storage of Polyarylene Ether Nitriles at High Temperature

NASA Astrophysics Data System (ADS)

Tang, Xiaohe; You, Yong; Mao, Hua; Li, Kui; Wei, Renbo; Liu, Xiaobo

2018-03-01

Polyarylene ether nitrile (PEN) was synthesized and used as film capacitors for energy storage at high temperature. Scanning electron microscopy observation indicated that the films of PEN have pinholes at nanoscales which restricted the energy storage properties of the material. The pinhole shadowing effect through which the energy storage properties of PEN were effectively improved to be 2.3 J/cm3 was observed by using the overlapped film of PEN. The high glass transition temperature (T g) of PEN was as high as 216 °C and PEN film showed stable dielectric constant, breakdown strength and energy storage density before the T g. The PEN films will be a potential candidate as high performance electronic storage materials used at high temperature.

Preliminary neutron and X-ray crystallographic studies of equine cyanomethemoglobin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kovalevsky, A.Y.; Fisher, S.Z.; Seaver, S.

2010-08-18

Room-temperature and 100 K X-ray and room-temperature neutron diffraction data have been measured from equine cyanomethemoglobin to 1.7 {angstrom} resolution using a home source, to 1.6 {angstrom} resolution on NE-CAT at the Advanced Photon Source and to 2.0 {angstrom} resolution on the PCS at Los Alamos Neutron Science Center, respectively. The cyanomethemoglobin is in the R state and preliminary room-temperature electron and neutron scattering density maps clearly show the protonation states of potential Bohr groups. Interestingly, a water molecule that is in the vicinity of the heme group and coordinated to the distal histidine appears to be expelled from thismore » site in the low-temperature structure.« less

Lightweight, Ultra-High-Temperature, CMC-Lined Carbon/Carbon Structures

NASA Technical Reports Server (NTRS)

Wright, Matthew J.; Ramachandran, Gautham; Williams, Brian E.

2011-01-01

Carbon/carbon (C/C) is an established engineering material used extensively in aerospace. The beneficial properties of C/C include high strength, low density, and toughness. Its shortcoming is its limited usability at temperatures higher than the oxidation temperature of carbon . approximately 400 C. Ceramic matrix composites (CMCs) are used instead, but carry a weight penalty. Combining a thin laminate of CMC to a bulk structure of C/C retains all of the benefits of C/C with the high temperature oxidizing environment usability of CMCs. Ultramet demonstrated the feasibility of combining the light weight of C/C composites with the oxidation resistance of zirconium carbide (ZrC) and zirconium- silicon carbide (Zr-Si-C) CMCs in a unique system composed of a C/C primary structure with an integral CMC liner with temperature capability up to 4,200 F (.2,315 C). The system effectively bridged the gap in weight and performance between coated C/C and bulk CMCs. Fabrication was demonstrated through an innovative variant of Ultramet fs rapid, pressureless melt infiltration processing technology. The fully developed material system has strength that is comparable with that of C/C, lower density than Cf/SiC, and ultra-high-temperature oxidation stability. Application of the reinforced ceramic casing to a predominantly C/C structure creates a highly innovative material with the potential to achieve the long-sought goal of long-term, cyclic high-temperature use of C/C in an oxidizing environment. The C/C substructure provided most of the mechanical integrity, and the CMC strengths achieved appeared to be sufficient to allow the CMC to perform its primary function of protecting the C/C. Nozzle extension components were fabricated and successfully hot-fire tested. Test results showed good thermochemical and thermomechanical stability of the CMC, as well as excellent interfacial bonding between the CMC liner and the underlying C/C structure. In particular, hafnium-containing CMCs on C/C were shown to perform well at temperatures exceeding 3,500 F (.1,925 C). The melt-infiltrated CMC-lined C/C composites offered a lower density than Cf/SiC. The melt-infiltrated composites offer greater use temperature than Cf/SiC because of the more refractory ceramic matrices and the C/C substructure provides greater high-temperature strength. The progress made in this work will allow multiple high-temperature components used in oxidizing environments to take advantage of the low density and high strength of C/C combined with the high-temperature oxidation resistance of melt-infiltrated CMCs.

Supercritical Fuel Pyrolysis

DTIC Science & Technology

2007-05-28

be supercritical fluids . These temperatures and pressures will also cause the fuel to undergo pyrolytic reactions, which have the potential of forming...physical properties, supercritical fluids have highly variable densities, no surface tension, and transport properties (i.e., mass, energy, and momentum...are very dependent on pressure, chemical reaction rates in supercritical fluids can be highly pressure-dependent [6-9]. The kinetic reaction rate

Ceramics breakthrough

NASA Astrophysics Data System (ADS)

Shim, Joon Hyung

2018-03-01

Protonic ceramic fuel cells (PCFCs) are a potential alternative to solid oxide fuel cells at temperatures below 600 °C, but they suffer from low power output and poor chemical stability. Now, PCFCs with a power density of over 500 mW per cm2 at 500 °C and long-term stability are demonstrated using optimized perovskite-based electrolyte and electrodes.

Quark-hadron phase structure of QCD matter from SU(4) Polyakov linear sigma model

NASA Astrophysics Data System (ADS)

Diab, Abdel Magied Abdel Aal; Tawfik, Abdel Nasser

2018-04-01

The SU(4) Polyakov linear sigma model (PLSM) is extended towards characterizing the chiral condensates, σl, σs and σc of light, strange and charm quarks, respectively and the deconfinement order-parameters φ and φ at finite temperatures and densities (chemical potentials). The PLSM is considered to study the QCD equation of state in the presence of the chiral condensate of charm for different finite chemical potentials. The PLSM results are in a good agreement with the recent lattice QCD simulations. We conclude that, the charm condensate is likely not affected by the QCD phase-transition, where the corresponding critical temperature is greater than that of the light and strange quark condensates.

High-temperature superconductors for space power transmission lines

NASA Astrophysics Data System (ADS)

Hull, John R.; Myers, Ira T.

1989-08-01

Analysis of high temperature superconductors (HTS) for space power transmission lines shows that they have the potential to provide low weight alternatives to conventional power distribution systems, especially for line lengths greater than 100 m. The use of directional radiators, combined with the natural vacuum of space, offers the possibility of reducing or eliminating the heat flux from the environment that dominates loss in terrestrial systems. This leads to scaling laws that favor flat conductor geometries. From a total launch weight viewpoint, HTS transmission lines appear superior, even with presently attainable values of current density.

A comparison of the temperature and density structure in high and low speed thermal proton flows

NASA Technical Reports Server (NTRS)

Raitt, W. J.; Schunk, R. W.; Banks, P. M.

1975-01-01

Steady-state altitude profiles of H(+) density, drift velocity, and temperature and O(+) density and temperature were deduced for a wide range of H(+) outflow velocities from subsonic to supersonic flow for plasma densities typical of both undisturbed and trough regions of the ionsophere. Allowance was made for the effects of inertia, parallel stress, and the velocity dependence of the H(+) collision frequencies. It was found that at supersonic outflow velocities there is a decrease in H(+) temperature with increasing outflow velocity. The H(+) temperatures are substantially increased above the O(+) temperatures when H(+) is flowing, with T(H+)/T(O+) reaching a maximum ratio of about 3:1.

Effect of annealing on structural changes and oxygen diffusion in amorphous HfO2 using classical molecular dynamics

NASA Astrophysics Data System (ADS)

Shen, Wenqing; Kumari, Niru; Gibson, Gary; Jeon, Yoocharn; Henze, Dick; Silverthorn, Sarah; Bash, Cullen; Kumar, Satish

2018-02-01

Non-volatile memory is a promising alternative to present memory technologies. Oxygen vacancy diffusion has been widely accepted as one of the reasons for the resistive switching mechanism of transition-metal-oxide based resistive random access memory. In this study, molecular dynamics simulation is applied to investigate the diffusion coefficient and activation energy of oxygen in amorphous hafnia. Two sets of empirical potential, Charge-Optimized Many-Body (COMB) and Morse-BKS (MBKS), were considered to investigate the structural and diffusion properties at different temperatures. COMB predicts the activation energy of 0.53 eV for the temperature range of 1000-2000 K, while MBKS predicts 2.2 eV at high temperature (1600-2000 K) and 0.36 eV at low temperature (1000-1600 K). Structural changes and appearance of nano-crystalline phases with increasing temperature might affect the activation energy of oxygen diffusion predicted by MBKS, which is evident from the change in coordination number distribution and radial distribution function. None of the potentials make predictions that are fully consistent with density functional theory simulations of both the structure and diffusion properties of HfO2. This suggests the necessity of developing a better multi-body potential that considers charge exchange.

Structural, electronic, magnetic and thermodynamic properties of Ni1-xTixO alloys an ab initio calculation and Monte Carlo study

NASA Astrophysics Data System (ADS)

Klaa, K.; Labidi, S.; Masrour, R.; Jabar, A.; Labidi, M.; Amara, A.; Drici, A.; Hlil, E. K.; Ellouze, M.

2018-06-01

Structural, electronic, magnetic and thermodynamic main features for Ni1-xTixO ternary alloys in rock-salt structure with Ti content in the range ? were studied using the full potential Linearized augmented plane wave (FP-LAPW) method within density functional theory. The exchange-correlation potential was calculated by the generalized gradient approximation. The analysis of the electronic density of states curves allowed the computation of the magnetic moments which are considered to lie along (010) axes. The thermodynamic stability of this alloy was investigated by calculating the excess enthalpy of mixing ? as well as the phase diagram. In addition, the Monte Carlo simulations have been exploited to calculate the transition temperature and magnetic coercive field in the alloy.

Capacitive density measurement for supercritical hydrogen

NASA Astrophysics Data System (ADS)

Funke, Th; Haberstroh, Ch; Szoucsek, K.; Schott, S.; Kunze, K.

2017-12-01

A new approach for automotive hydrogen storage systems is the so-called cryo-compressed hydrogen storage (CcH2). It has a potential for increased energy densities and thus bigger hydrogen amounts onboard, which is the main attractiveness for car manufacturers such as BMW. This system has further advantages in terms of safety, refueling and cooling potential. The current filling level measurement by means of pressure and temperature measurement and subsequent density calculation faces challenges especially in terms of precision. A promising alternative is the capacitive gauge. This measuring principle can determine the filling level of the CcH2 tank with significantly smaller tolerances. The measuring principle is based on different dielectric constants of gaseous and liquid hydrogen. These differences are successfully leveraged in liquid hydrogen storage systems (LH2). The present theoretical analysis shows that the dielectric values of CcH2 in the relevant operating range are comparable to LH2, thus achieving similarly good accuracy. The present work discusses embodiments and implementations for such a sensor in the CcH2 tank.

Carrier providers or killers: The case of Cu defects in CdTe

DOE PAGES

Yang, Ji -Hui; Metzger, Wyatt K.; Wei, Su -Huai

2017-07-24

Defects play important roles in semiconductors for optoelectronic applications. Common intuition is that defects with shallow levels act as carrier providers and defects with deep levels are carrier killers. Here, taking the Cu defects in CdTe as an example, we show that relatively shallow defects can play both roles. Using first-principles calculation methods combined with thermodynamic simulations, we study the dialectic effects of Cu-related defects on hole density and lifetime in bulk CdTe. Because CuCd can form a relatively shallow acceptor, we find that increased Cu incorporation into CdTe indeed can help achieve high hole density; however, too much Cumore » can cause significant non-radiative recombination. We discuss strategies to balance the contradictory effects of Cu defects based on the calculated impact of Cd chemical potential, copper defect concentrations, and annealing temperature on lifetime and hole density. Lastly, these findings advance the understanding of the potential complex defect behaviors of relatively shallow defect states in semiconductors.« less

Hybrid chromophore/template nanostructures: a customizable platform material for solar energy storage and conversion.

PubMed

Kolpak, Alexie M; Grossman, Jeffrey C

2013-01-21

Challenges with cost, cyclability, and/or low energy density have largely prevented the development of solar thermal fuels, a potentially attractive alternative energy technology based on molecules that can capture and store solar energy as latent heat in a closed cycle. In this paper, we present a set of novel hybrid photoisomer/template solar thermal fuels that can potentially circumvent these challenges. Using first-principles computations, we demonstrate that these fuels, composed of organic photoisomers bound to inexpensive carbon-based templates, can reversibly store solar energy at densities comparable to Li-ion batteries. Furthermore, we show that variation of the template material in combination with the photoisomer can be used to optimize many of the key performance metrics of the fuel-i.e., the energy density, the storage lifetime, the temperature of the output heat, and the efficiency of the solar-to-heat conversion. Our work suggests that the solar thermal fuels concept can be translated into a practical and highly customizable energy storage and conversion technology.

Carrier providers or killers: The case of Cu defects in CdTe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Ji -Hui; Metzger, Wyatt K.; Wei, Su -Huai

Defects play important roles in semiconductors for optoelectronic applications. Common intuition is that defects with shallow levels act as carrier providers and defects with deep levels are carrier killers. Here, taking the Cu defects in CdTe as an example, we show that relatively shallow defects can play both roles. Using first-principles calculation methods combined with thermodynamic simulations, we study the dialectic effects of Cu-related defects on hole density and lifetime in bulk CdTe. Because CuCd can form a relatively shallow acceptor, we find that increased Cu incorporation into CdTe indeed can help achieve high hole density; however, too much Cumore » can cause significant non-radiative recombination. We discuss strategies to balance the contradictory effects of Cu defects based on the calculated impact of Cd chemical potential, copper defect concentrations, and annealing temperature on lifetime and hole density. Lastly, these findings advance the understanding of the potential complex defect behaviors of relatively shallow defect states in semiconductors.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gim, Yongwan; Kim, Wontae, E-mail: yongwan89@sogang.ac.kr, E-mail: wtkim@sogang.ac.kr

In warm inflation scenarios, radiation always exists, so that the radiation energy density is also assumed to be finite when inflation starts. To find out the origin of the non-vanishing initial radiation energy density, we revisit thermodynamic analysis for a warm inflation model and then derive an effective Stefan-Boltzmann law which is commensurate with the temperature-dependent effective potential by taking into account the non-vanishing trace of the total energy-momentum tensors. The effective Stefan-Boltzmann law shows that the zero energy density for radiation at the Grand Unification epoch increases until the inflation starts and it becomes eventually finite at the initialmore » stage of warm inflation. By using the above effective Stefan-Boltzmann law, we also study the cosmological scalar perturbation, and obtain the sufficient radiation energy density in order for GUT baryogenesis at the end of inflation.« less

The interacting effects of temperature and food chain length on trophic abundance and ecosystem function.

PubMed

Beveridge, Oliver S; Humphries, Stuart; Petchey, Owen L

2010-05-01

1. While much is known about the independent effects of trophic structure and temperature on density and ecosystem processes, less is known about the interaction(s) between the two. 2. We manipulated the temperature of laboratory-based bacteria-protist communities that contained communities with one, two, or three trophic levels, and recorded species' densities and bacterial decomposition. 3. Temperature, food chain length and their interaction produced significant responses in microbial density and bacterial decomposition. Prey and resource density expressed different patterns of temperature dependency during different phases of population dynamics. The addition of a predator altered the temperature-density relationship of prey, from a unimodal trend to a negative one. Bacterial decomposition was greatest in the presence of consumers at higher temperatures. 4. These results are qualitatively consistent with a recent model of direct and indirect temperature effects on resource-consumer population dynamics. Results highlight and reinforce the importance of indirect effects of temperature mediated through trophic interactions. Understanding and predicting the consequences of environmental change will require that indirect effects, trophic structure, and individual species' tolerances be incorporated into theory and models.

Determination of deuterium–tritium critical burn-up parameter by four temperature theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nazirzadeh, M.; Ghasemizad, A.; Khanbabei, B.

Conditions for thermonuclear burn-up of an equimolar mixture of deuterium-tritium in non-equilibrium plasma have been investigated by four temperature theory. The photon distribution shape significantly affects the nature of thermonuclear burn. In three temperature model, the photon distribution is Planckian but in four temperature theory the photon distribution has a pure Planck form below a certain cut-off energy and then for photon energy above this cut-off energy makes a transition to Bose-Einstein distribution with a finite chemical potential. The objective was to develop four temperature theory in a plasma to calculate the critical burn up parameter which depends upon initialmore » density, the plasma components initial temperatures, and hot spot size. All the obtained results from four temperature theory model are compared with 3 temperature model. It is shown that the values of critical burn-up parameter calculated by four temperature theory are smaller than those of three temperature model.« less

Scaling of confinement and profiles in the EXTRAP T2 reversed-field pinch

NASA Astrophysics Data System (ADS)

Welander, A.

1999-01-01

In the EXTRAP T2 reversed-field pinch the diagnostic techniques for the measurement of electron density and temperature include; Thomson scattering which gives values at three radial positions in the core (r/a = 0, 0.28, 0.56), Langmuir probes which give values at the edge (r/a > 0.9) and interferometry which gives a line-averaged density. The empirical scaling of electron density and temperature including profile information with global plasma parameters has been studied. The density profile is subject to large variations, with an average parabolic shape when the density is low and flatter shapes when the density is increased. The change in the profile shape can be attributed to a shift in the penetration length of neutrals from the vicinity of the wall. The temperature scales roughly as I/n1/2 where I is the plasma current and n is the density. The temperature profile is always quite flat with lower variations and there is a tendency for a flatter profile at higher temperatures.

A model for predicting Xanthomonas arboricola pv. pruni growth as a function of temperature

PubMed Central

Llorente, Isidre; Montesinos, Emilio; Moragrega, Concepció

2017-01-01

A two-step modeling approach was used for predicting the effect of temperature on the growth of Xanthomonas arboricola pv. pruni, causal agent of bacterial spot disease of stone fruit. The in vitro growth of seven strains was monitored at temperatures from 5 to 35°C with a Bioscreen C system, and a calibrating equation was generated for converting optical densities to viable counts. In primary modeling, Baranyi, Buchanan, and modified Gompertz equations were fitted to viable count growth curves over the entire temperature range. The modified Gompertz model showed the best fit to the data, and it was selected to estimate the bacterial growth parameters at each temperature. Secondary modeling of maximum specific growth rate as a function of temperature was performed by using the Ratkowsky model and its variations. The modified Ratkowsky model showed the best goodness of fit to maximum specific growth rate estimates, and it was validated successfully for the seven strains at four additional temperatures. The model generated in this work will be used for predicting temperature-based Xanthomonas arboricola pv. pruni growth rate and derived potential daily doublings, and included as the inoculum potential component of a bacterial spot of stone fruit disease forecaster. PMID:28493954

Crystalline structures of particles interacting through the harmonic-repulsive pair potential

NASA Astrophysics Data System (ADS)

Levashov, V. A.

2017-09-01

The behavior of identical particles interacting through the harmonic-repulsive pair potential has been studied in 3D using molecular dynamics simulations at a number of different densities. We found that at many densities, as the temperature of the systems decreases, the particles crystallize into complex structures whose formation has not been anticipated in previous studies on the harmonic-repulsive pair potential. In particular, at certain densities, crystallization into the structure I a 3 ¯ d (space group #230) with 16 particles in the unit cell occupying Wyckoff special positions (16b) was observed. This crystal structure has not been observed previously in experiments or in computer simulations of single component atomic or soft matter systems. At another density, we observed a liquid which is rather stable against crystallization. Yet, we observed crystallization of this liquid into the monoclinic C2/c (space group #15) structure with 32 particles in the unit cell occupying four different non-special Wyckoff (8f) sites. In this structure particles located at different Wyckoff sites have different energies. From the perspective of the local atomic environment, the organization of particles in this structure resembles the structure of some columnar quasicrystals. At a different value of the density, we did not observe crystallization at all despite rather long molecular dynamics runs. At two other densities, we observed the formation of the β S n distorted diamond structures instead of the expected diamond structure. Possibly, we also observed the formation of the R 3 ¯ c hexagonal lattice with 24 particles per unit cell occupying non-equivalent positions.

Effect of Structure on Transport Properties (Viscosity, Ionic Conductivity, and Self-Diffusion Coefficient) of Aprotic Heterocyclic Anion (AHA) Room-Temperature Ionic Liquids. 1. Variation of Anionic Species.

PubMed

Sun, Liyuan; Morales-Collazo, Oscar; Xia, Han; Brennecke, Joan F

2015-12-03

A series of room temperature ionic liquids (RTILs) based on 1-ethyl-3-methylimidazolium ([emim](+)) with different aprotic heterocyclic anions (AHAs) were synthesized and characterized as potential electrolyte candidates for lithium ion batteries. The density and transport properties of these ILs were measured over the temperature range between 283.15 and 343.15 K at ambient pressure. The temperature dependence of the transport properties (viscosity, ionic conductivity, self-diffusion coefficient, and molar conductivity) is fit well by the Vogel-Fulcher-Tamman (VFT) equation. The best-fit VFT parameters, as well as linear fits to the density, are reported. The ionicity of these ILs was quantified by the ratio of the molar conductivity obtained from the ionic conductivity and molar concentration to that calculated from the self-diffusion coefficients using the Nernst-Einstein equation. The results of this study, which is based on ILs composed of both a planar cation and planar anions, show that many of the [emim][AHA] ILs exhibit very good conductivity for their viscosities and provide insight into the design of ILs with enhanced dynamics that may be suitable for electrolyte applications.

Cryostatless high temperature supercurrent bearings for rocket engine turbopumps

NASA Technical Reports Server (NTRS)

Rao, Dantam K.; Dill, James F.

1989-01-01

The rocket engine systems examined include SSME, ALS, and CTV systems. The liquid hydrogen turbopumps in the SSME and ALS vehicle systems are identified as potentially attractive candidates for development of Supercurrent Bearings since the temperatures around the bearings is about 30 K, which is considerably lower than the 95 K transition temperatures of HTS materials. At these temperatures, the current HTS materials are shown to be capable of developing significantly higher current densities. This higher current density capability makes the development of supercurrent bearings for rocket engines an attractive proposition. These supercurrent bearings are also shown to offer significant advantages over conventional bearings used in rocket engines. They can increase the life and reliability over rolling element bearings because of noncontact operation. They offer lower power loss over conventional fluid film bearings. Compared to conventional magnetic bearings, they can reduce the weight of controllers significantly, and require lower power because of the use of persistent currents. In addition, four technology areas that require further attention have been identified. These are: Supercurrent Bearing Conceptual Design Verification; HTS Magnet Fabrication and Testing; Cryosensors and Controller Development; and Rocket Engine Environmental Compatibility Testing.

CO(2) capture properties of alkaline earth metal oxides and hydroxides: A combined density functional theory and lattice phonon dynamics study.

PubMed

Duan, Yuhua; Sorescu, Dan C

2010-08-21

By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO(2) absorption/desorption reactions with alkaline earth metal oxides MO and hydroxides M(OH)(2) (where M=Be,Mg,Ca,Sr,Ba) are analyzed. The heats of reaction and the chemical potential changes of these solids upon CO(2) capture reactions have been calculated and used to evaluate the energy costs. Relative to CaO, a widely used system in practical applications, MgO and Mg(OH)(2) systems were found to be better candidates for CO(2) sorbent applications due to their lower operating temperatures (600-700 K). In the presence of H(2)O, MgCO(3) can be regenerated into Mg(OH)(2) at low temperatures or into MgO at high temperatures. This transition temperature depends not only on the CO(2) pressure but also on the H(2)O pressure. Based on our calculated results and by comparing with available experimental data, we propose a general computational search methodology which can be used as a general scheme for screening a large number of solids for use as CO(2) sorbents.

Water Temperature, Invertebrate Drift, and the Scope for Growth for Juvenile Spring Chinook Salmon.

NASA Astrophysics Data System (ADS)

Lovtang, J. C.; Li, H. W.

2005-05-01

We present a bioenergetic assessment of habitat quality based on the concept of the scope for growth for juvenile Chinook salmon. Growth of juvenile salmonids during the freshwater phase of their life history depends on a balance between two main factors: energy intake and metabolic costs. The metabolic demands of temperature and the availability of food play integral roles in determining the scope for growth of juvenile salmonids in stream systems. We investigated differences in size of juvenile spring Chinook salmon in relation to water temperature and invertebrate drift density in six unique study reaches in the Metolius River Basin, a tributary of the Deschutes River in Central Oregon. This project was initiated to determine the relative quality and potential productivity of habitat in the Metolius Basin prior to the reintroduction of spring Chinook salmon, which were extirpated from the middle Deschutes basin in the early 1970's due to the construction of a hydroelectric dam. Variations in the growth of juvenile Chinook salmon can be described using a multiple regression model of water temperature and invertebrate drift density. We also discuss the relationships between our bioenergetic model, variations of the ideal free distribution model, and physiological growth models.

Thermo-Electron Ballistic Coolers or Heaters

NASA Technical Reports Server (NTRS)

Choi, Sang H.

2003-01-01

Electronic heat-transfer devices of a proposed type would exploit some of the quantum-wire-like, pseudo-superconducting properties of single-wall carbon nanotubes or, optionally, room-temperature-superconducting polymers (RTSPs). The devices are denoted thermo-electron ballistic (TEB) coolers or heaters because one of the properties that they exploit is the totally or nearly ballistic (dissipation or scattering free) transport of electrons. This property is observed in RTSPs and carbon nanotubes that are free of material and geometric defects, except under conditions in which oscillatory electron motions become coupled with vibrations of the nanotubes. Another relevant property is the high number density of electrons passing through carbon nanotubes -- sufficient to sustain electron current densities as large as 100 MA/square cm. The combination of ballistic motion and large current density should make it possible for TEB devices to operate at low applied potentials while pumping heat at rates several orders of magnitude greater than those of thermoelectric devices. It may also enable them to operate with efficiency close to the Carnot limit. In addition, the proposed TEB devices are expected to operate over a wider temperature range

Robust three-body water simulation model

NASA Astrophysics Data System (ADS)

Tainter, C. J.; Pieniazek, P. A.; Lin, Y.-S.; Skinner, J. L.

2011-05-01

The most common potentials used in classical simulations of liquid water assume a pairwise additive form. Although these models have been very successful in reproducing many properties of liquid water at ambient conditions, none is able to describe accurately water throughout its complicated phase diagram. The primary reason for this is the neglect of many-body interactions. To this end, a simulation model with explicit three-body interactions was introduced recently [R. Kumar and J. L. Skinner, J. Phys. Chem. B 112, 8311 (2008), 10.1021/jp8009468]. This model was parameterized to fit the experimental O-O radial distribution function and diffusion constant. Herein we reparameterize the model, fitting to a wider range of experimental properties (diffusion constant, rotational correlation time, density for the liquid, liquid/vapor surface tension, melting point, and the ice Ih density). The robustness of the model is then verified by comparing simulation to experiment for a number of other quantities (enthalpy of vaporization, dielectric constant, Debye relaxation time, temperature of maximum density, and the temperature-dependent second and third virial coefficients), with good agreement.

Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions

DOE PAGES

Karasiev, Valentin V.; Dufty, James W.; Trickey, S. B.

2018-02-14

The potential for density functional calculations to predict the properties of matter under extreme conditions depends crucially upon having a non-empirical approximate free energy functional valid over a wide range of state conditions. Unlike the ground-state case, no such free-energy exchange- correlation (XC) functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Application in Kohn-Sham calculations for hot electrons inmore » a static fcc Aluminum lattice demon- strates the combined magnitude of thermal and gradient effects handled by this functional. Its accuracy in the increasingly important warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated temperatures and by low density Al calculations over a wide T range.« less

Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karasiev, Valentin V.; Dufty, James W.; Trickey, S. B.

The potential for density functional calculations to predict the properties of matter under extreme conditions depends crucially upon having a non-empirical approximate free energy functional valid over a wide range of state conditions. Unlike the ground-state case, no such free-energy exchange- correlation (XC) functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Application in Kohn-Sham calculations for hot electrons inmore » a static fcc Aluminum lattice demon- strates the combined magnitude of thermal and gradient effects handled by this functional. Its accuracy in the increasingly important warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated temperatures and by low density Al calculations over a wide T range.« less

Crystallization behavior and properties of BaO-Al2O3-2SiO2 glass matrices

NASA Technical Reports Server (NTRS)

Drummond, Charles H., III; Bansal, Narottam P.

1990-01-01

Glass of stoichiometric celsian composition, BaO-Al2O3-2SiO2, is a potential glass-ceramic matrix for high-temperature composites. The glass has a density of 3.39 g/cu cm, thermal expansion coefficient of 6.6 x 10(exp -6)/deg C glass transition temperature of 910 C, and dilatometric softening point of 925 C. On heat treatment, only hexacelsian crystallized out on the surface, but both celsian and hexacelsian were present in the bulk. Effects of cold isostatic pressing (CIP), sintering, and hot pressing, in the presence and absence of an additive, on the formation of the celsian phase in the glass were studied. CIP'ed samples, after appropriate heat treatments, always crystallized out as celsian whereas the presence of 5 to 10 weight percent of an additive was necessary for formation of celsian in sintered as well as hot pressed specimens. Green density increased with CIP'ing pressure but had no effect on sintered density. Hot pressing resulted in fully dense samples.

SURVIVAL CAPACITY OF Arcobacter butzleri INOCULATED IN POULTRY MEAT AT TWO DIFFERENT REFRIGERATION TEMPERATURES

PubMed Central

BADILLA-RAMÍREZ, Yanán; FALLAS-PADILLA, Karolina L.; FERNÁNDEZ-JARAMILLO, Heriberto; ARIAS-ECHANDI, María Laura

2016-01-01

Arcobacter spp. are emerging enteropathogens and potential zoonotic agents that can be transmitted by food and water, being considered a public health risk. The high isolation rate of these bacteria from poultry products suggests that it may be a major source of human infections. One hallmark for differentiating the genus Arcobacter fromCampylobacter includes their growing capacity at low temperatures (15-30 °C) under aerobic conditions. However, little is known about the population density variation of these bacteria at different refrigeration temperatures. The aim of this study was to determine the survival behavior of two different Arcobacter butzleri concentrations (104 CFU/mL and 107 CFU/mL) inoculated on chicken legs and held at two different refrigeration temperatures (4 and 10 °C) throughout storage time. Results have shown that A. butzleri had growing capacity both at 4 and 10 °C. No statistical difference between the survival trends was found for both bacterial concentrations and temperatures tested. This study shows that A. butzleri is a robust species with regard to storage temperature, and represents a potential health risk for poultry meat consumers. PMID:27007565

SURVIVAL CAPACITY OF Arcobacter butzleri INOCULATED IN POULTRY MEAT AT TWO DIFFERENT REFRIGERATION TEMPERATURES.

PubMed

Badilla-Ramírez, Yanán; Fallas-Padilla, Karolina L; Fernández-Jaramillo, Heriberto; Arias-Echandi, María Laura

2016-01-01

Arcobacter spp. are emerging enteropathogens and potential zoonotic agents that can be transmitted by food and water, being considered a public health risk. The high isolation rate of these bacteria from poultry products suggests that it may be a major source of human infections. One hallmark for differentiating the genus Arcobacter from Campylobacter includes their growing capacity at low temperatures (15-30 °C) under aerobic conditions. However, little is known about the population density variation of these bacteria at different refrigeration temperatures. The aim of this study was to determine the survival behavior of two different Arcobacter butzleri concentrations (10(4) CFU/mL and 10(7) CFU/mL) inoculated on chicken legs and held at two different refrigeration temperatures (4 and 10 °C) throughout storage time. Results have shown that A. butzleri had growing capacity both at 4 and 10 °C. No statistical difference between the survival trends was found for both bacterial concentrations and temperatures tested. This study shows that A. butzleri is a robust species with regard to storage temperature, and represents a potential health risk for poultry meat consumers.

Bill size variation in northern cardinals associated with anthropogenic drivers across North America.

PubMed

Miller, Colleen R; Latimer, Christopher E; Zuckerberg, Benjamin

2018-05-01

Allen's rule predicts that homeotherms inhabiting cooler climates will have smaller appendages, while those inhabiting warmer climates will have larger appendages relative to body size. Birds' bills tend to be larger at lower latitudes, but few studies have tested whether modern climate change and urbanization affect bill size. Our study explored whether bill size in a wide-ranging bird would be larger in warmer, drier regions and increase with rising temperatures. Furthermore, we predicted that bill size would be larger in densely populated areas, due to urban heat island effects and the higher concentration of supplementary foods. Using measurements from 605 museum specimens, we explored the effects of climate and housing density on northern cardinal bill size over an 85-year period across the Linnaean subspecies' range. We quantified the geographic relationships between bill surface area, housing density, and minimum temperature using linear mixed effect models and geographically weighted regression. We then tested whether bill surface area changed due to housing density and temperature in three subregions (Chicago, IL., Washington, D.C., and Ithaca, NY). Across North America, cardinals occupying drier regions had larger bills, a pattern strongest in males. This relationship was mediated by temperature such that birds in warm, dry areas had larger bills than those in cool, dry areas. Over time, female cardinals' bill size increased with warming temperatures in Washington, D.C., and Ithaca. Bill size was smaller in developed areas of Chicago, but larger in Washington, D.C., while there was no pattern in Ithaca, NY. We found that climate and urbanization were strongly associated with bill size for a wide-ranging bird. These biogeographic relationships were characterized by sex-specific differences, varying relationships with housing density, and geographic variability. It is likely that anthropogenic pressures will continue to influence species, potentially promoting microevolutionary changes over space and time.

Attractive Hubbard model with disorder and the generalized Anderson theorem

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuchinskii, E. Z., E-mail: kuchinsk@iep.uran.ru; Kuleeva, N. A., E-mail: strigina@iep.uran.ru; Sadovskii, M. V., E-mail: sadovski@iep.uran.ru

Using the generalized DMFT+Σ approach, we study the influence of disorder on single-particle properties of the normal phase and the superconducting transition temperature in the attractive Hubbard model. A wide range of attractive potentials U is studied, from the weak coupling region, where both the instability of the normal phase and superconductivity are well described by the BCS model, to the strong-coupling region, where the superconducting transition is due to Bose-Einstein condensation (BEC) of compact Cooper pairs, formed at temperatures much higher than the superconducting transition temperature. We study two typical models of the conduction band with semi-elliptic and flatmore » densities of states, respectively appropriate for three-dimensional and two-dimensional systems. For the semi-elliptic density of states, the disorder influence on all single-particle properties (e.g., density of states) is universal for an arbitrary strength of electronic correlations and disorder and is due to only the general disorder widening of the conduction band. In the case of a flat density of states, universality is absent in the general case, but still the disorder influence is mainly due to band widening, and the universal behavior is restored for large enough disorder. Using the combination of DMFT+Σ and Nozieres-Schmitt-Rink approximations, we study the disorder influence on the superconducting transition temperature T{sub c} for a range of characteristic values of U and disorder, including the BCS-BEC crossover region and the limit of strong-coupling. Disorder can either suppress T{sub c} (in the weak-coupling region) or significantly increase T{sub c} (in the strong-coupling region). However, in all cases, the generalized Anderson theorem is valid and all changes of the superconducting critical temperature are essentially due to only the general disorder widening of the conduction band.« less

Density variations of plastic carriers in metallic glasses during aging

NASA Astrophysics Data System (ADS)

Fan, Yue; Iwashita, Takuya; Egami, Takeshi

Thermally induced deformation in metallic glasses was investigated by sampling the potential energy landscape (PEL) and probing the changes in the atomic properties (e.g. energy, displacement, stress). We demonstrate that there exists a universal plastic carrier in amorphous materials, which corresponds to the hopping between local minima on PEL. However very interestingly, the density of plastic carrier is largely affected by the aging history of the glasses. The higher fictive temperature (i . e . fast cooling rate), the larger density of plastic carrier is contained in the system. In particular, we observe a scaling of ρ~exp(- α/Tfic) , which is consistent with the prediction of shear transformation zone theory. The work is supported by U.S. Department of Energy.

Inter-plume aerodynamics for gasoline spray collapse

DOE PAGES

Sphicas, Panos; Pickett, Lyle M.; Skeen, Scott A.; ...

2017-11-10

The collapse or merging of individual plumes of direct-injection gasoline injectors is of fundamental importance to engine performance because of its impact on fuel–air mixing. But, the mechanisms of spray collapse are not fully understood and are difficult to predict. The purpose of this work is to study the aerodynamics in the inter-spray region, which can potentially lead to plume collapse. High-speed (100 kHz) particle image velocimetry is applied along a plane between plumes to observe the full temporal evolution of plume interaction and potential collapse, resolved for individual injection events. Supporting information along a line of sight is obtainedmore » using simultaneous diffused back illumination and Mie-scatter techniques. Experiments are performed under simulated engine conditions using a symmetric eight-hole injector in a high-temperature, high-pressure vessel at the “Spray G” operating conditions of the engine combustion network. Indicators of plume interaction and collapse include changes in counter-flow recirculation of ambient gas toward the injector along the axis of the injector or in the inter-plume region between plumes. Furthermore, the effect of ambient temperature and gas density on the inter-plume aerodynamics and the subsequent plume collapse are assessed. Increasing ambient temperature or density, with enhanced vaporization and momentum exchange, accelerates the plume interaction. Plume direction progressively shifts toward the injector axis with time, demonstrating that the plume interaction and collapse are inherently transient.« less

Inter-plume aerodynamics for gasoline spray collapse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sphicas, Panos; Pickett, Lyle M.; Skeen, Scott A.

The collapse or merging of individual plumes of direct-injection gasoline injectors is of fundamental importance to engine performance because of its impact on fuel–air mixing. But, the mechanisms of spray collapse are not fully understood and are difficult to predict. The purpose of this work is to study the aerodynamics in the inter-spray region, which can potentially lead to plume collapse. High-speed (100 kHz) particle image velocimetry is applied along a plane between plumes to observe the full temporal evolution of plume interaction and potential collapse, resolved for individual injection events. Supporting information along a line of sight is obtainedmore » using simultaneous diffused back illumination and Mie-scatter techniques. Experiments are performed under simulated engine conditions using a symmetric eight-hole injector in a high-temperature, high-pressure vessel at the “Spray G” operating conditions of the engine combustion network. Indicators of plume interaction and collapse include changes in counter-flow recirculation of ambient gas toward the injector along the axis of the injector or in the inter-plume region between plumes. Furthermore, the effect of ambient temperature and gas density on the inter-plume aerodynamics and the subsequent plume collapse are assessed. Increasing ambient temperature or density, with enhanced vaporization and momentum exchange, accelerates the plume interaction. Plume direction progressively shifts toward the injector axis with time, demonstrating that the plume interaction and collapse are inherently transient.« less

Self-focusing and defocusing of Gaussian laser beams in collisional inhomogeneous plasmas with linear density and temperature ramps

NASA Astrophysics Data System (ADS)

Hashemzadeh, M.

2018-01-01

Self-focusing and defocusing of Gaussian laser beams in collisional inhomogeneous plasmas are investigated in the presence of various laser intensities and linear density and temperature ramps. Considering the ponderomotive force and using the momentum transfer and energy equations, the nonlinear electron density is derived. Taking into account the paraxial approximation and nonlinear electron density, a nonlinear differential equation, governing the focusing and defocusing of the laser beam, is obtained. Results show that in the absence of ramps the laser beam is focused between a minimum and a maximum value of laser intensity. For a certain value of laser intensity and initial electron density, the self-focusing process occurs in a temperature range which reaches its maximum at turning point temperature. However, the laser beam is converged in a narrow range for various amounts of initial electron density. It is indicated that the σ2 parameter and its sign can affect the self-focusing process for different values of laser intensity, initial temperature, and initial density. Finally, it is found that although the electron density ramp-down diverges the laser beam, electron density ramp-up improves the self-focusing process.

Electronic and magnetic properties of TiO2 (co)-doped with (V, Mn)

NASA Astrophysics Data System (ADS)

Rami, R.; Rkhioui, N.; Ahl Laamara, R.; Drissi, L. B.

2017-12-01

The effect of dopage and co-dopage with vanadium and manganese on the structural, the electronic and the magnetic properties of TiO2 is studied using ab initio calculations. The calculations are based on the Korringa-Kohn-Rostoker method combined with the coherent potential approach, employing the local density approximation (LDA). The density of states are plotted in the energy diagram for different concentrations of dopants. The magnetic moments and half-metallic character of the doped compounds are investigated and the mechanism of exchange interaction is determined. In addition, the Curie temperature is given for different concentrations.

Phase transition to an opaque plasma in a sonoluminescing bubble.

PubMed

Kappus, Brian; Khalid, Shahzad; Chakravarty, Avik; Putterman, Seth

2011-06-10

Time-resolved spectrum measurements of a sonoluminescing Xe bubble reveal a transition from transparency to an opaque Planck blackbody. As the temperature is <10 000  K and the density is below liquid density, the photon scattering length is 10 000 times too large to explain its opacity. We resolve this issue with a model that reduces the ionization potential. According to this model, sonoluminescence originates in a new phase of matter with high ionization. Analysis of line emission from Xe* also yields evidence of phase segregation for this first-order transition inside a bubble.

Application of remote sensing for fishery resources assessment and monitoring. [Gulf of Mexico

NASA Technical Reports Server (NTRS)

Savastano, K. J. (Principal Investigator)

1975-01-01

The author has identified the following significant results. The distribution and abundance of white marlin correlated with the chlorophyll, water temperature, and Secchi depth sea truth measurements. Results of correlation analyses for dolphin were inconclusive. Predicition models for white marlin were developed using stepwise multiple regression and discriminant function analysis techniques which demonstrated a potential for increasing the probability of game fishing success. The S190A and B imagery was density sliced/color enhanced with white marlin location superimposed on the image, but no density/white marlin relationship could be established.

Expansion of Titan atmosphere

NASA Astrophysics Data System (ADS)

Salem, S.; Moslem, W. M.; Radi, A.

2017-05-01

Self-similar plasma expansion approach is used to solve a plasma model based on the losing phenomenon of Titan atmospheric composition. To this purpose, a set of hydrodynamic fluid equations describing a plasma consisting of two positive ions with different masses and isothermal electrons is used. With the aid of self-similar transformation, numerical solution of the fluid equations has been performed to examine the density, velocity, and potential profiles. The effects of different plasma parameters, i.e., density and temperature ratios, are studied on the expanding plasma profiles. The present investigation could be useful to recognize the ionized particles escaping from Titan atmosphere.

Isobaric yield ratio difference in heavy-ion collisions, and comparison to isoscaling

NASA Astrophysics Data System (ADS)

Ma, Chun-Wang; Wang, Shan-Shan; Zhang, Yan-Li; Wei, Hui-Ling

2013-03-01

An isobaric yield ratio difference (IBD) method is proposed to study the ratio of the difference between the chemical potential of neutron and proton to temperature (Δμ/T) in heavy-ion collisions. The Δμ/T determined by the IBD method (IB-Δμ/T) is compared to the results of the isoscaling method (IS-Δμ/T), which uses the isotopic or the isotonic yield ratio. Similar distributions of the IB- and IS-Δμ/T are found in the measured 140A MeV 40,48Ca+9Be and the 58,64Ni+9Be reactions. The IB- and IS-Δμ/T both have a distribution with a plateau in the small mass fragments plus an increasing part in the fragments of relatively larger mass. The IB- and IS-Δμ/T plateaus show dependence on the n/p ratio of the projectile. It is suggested that the height of the plateau is decided by the difference between the neutron density (ρn) and the proton density (ρp) distributions of the projectiles, and the width shows the overlapping volume of the projectiles in which ρn and ρp change very little. The difference between the IB- and IS-Δμ/T is explained by the isoscaling parameters being constrained by the many isotopes and isotones, while the IBD method only uses the yields of two isobars. It is suggested that the IB-Δμ/T is more reasonable than the IS-Δμ/T, especially when the isotopic or isotonic ratio disobeys the isoscaling. As to the question whether the Δμ/T depends on the density or the temperature, the density dependence is preferred since the low density can result in low temperature in the peripheral reactions.

Environmental influences on potential recruitment of pink shrimp, Fatlantopenaeus duorarum, from Florida Bay nursery grounds

USGS Publications Warehouse

Browder, Joan A.; Restrepo, V.R.; Rice, J.K.; Robblee, M.B.; Zein-Eldin, Z.

1999-01-01

Two modeling approaches were used to explore the basis for variation in recruitment of pink shrimp, Farfantepenaeus duorarum, to the Tortugas fishing grounds. Emphasis was on development and juvenile densities on the nursery grounds. An exploratory simulation modeling exercise demonstrated large year-to-year variations in recruitment contributions to the Tortugas rink shrimp fishery may occur on some nursery grounds, and production may differ considerably among nursery grounds within the same year, simply on the basis of differences in temperature and salinity. We used a growth and survival model to simulate cumulative harvests from a July-centered cohort of early-settlement-stage postlarvae from two parts of Florida Bay (western Florida Bay and northcentral Florida Bay), using historic temperature and salinity data from these areas. Very large year-to-year differences in simulated cumulative harvests were found for recruits from Whipray Basin. Year-to-year differences in simulated harvests of recruits from Johnson Key Basin were much smaller. In a complementary activity, generalized linear and additive models and intermittent, historic density records were used to develop an uninterrupted multi-year time series of monthly density estimates for juvenile rink shrimp in the Johnson Key Basin. The developed data series was based on relationships of density with environmental variables. The strongest relationship was with sea-surface temperature. Three other environmental variables (rainfall, water level at Everglades National Park Well P35, and mean wind speed) also contributed significantly to explaining variation in juvenile densities. Results of the simulation model and two of the three statistical models yielded similar interannual patterns for Johnson Key Basin. While it is not possible to say that one result validates the other, the concordance of the annual patterns from the two models is supportive of both approaches.

Shallow snowpack inhibits soil respiration in sagebrush steppe through multiple biotic and abiotic mechanisms

DOE PAGES

Tucker, Colin L.; Tamang, Shanker; Pendall, Elise; ...

2016-05-01

In sagebrush steppe, snowpack may govern soil respiration through its effect on multiple abiotic and biotic factors. Across the Intermountain West of the United States, snowpack has been declining for decades and is projected to decline further over the next century, making the response of soil respiration to snowpack a potentially important factor in the ecosystem carbon cycle. In this study, we evaluated the direct and indirect roles of the snowpack in driving soil respiration in sagebrush steppe ecosystems by taking advantage of highway snowfences in Wyoming to manipulate snowpack. An important contribution of this study is the use ofmore » Bayesian modeling to quantify the effects of soil moisture and temperature on soil respiration across a wide range of conditions from frozen to hot and dry, while simultaneously accounting for biotic factors (e.g., vegetation cover, root density, and microbial biomass and substrate-use diversity) affected by snowpack. Elevated snow depth increased soil temperature (in the winter) and moisture (winter and spring), and was associated with reduced vegetation cover and microbial biomass carbon. Soil respiration showed an exponential increase with temperature, with a temperature sensitivity that decreased with increasing seasonal temperature (Q 10 = 4.3 [winter], 2.3 [spring], and 1.7 [summer]); frozen soils were associated with unrealistic Q 10 approximate to 7989 due to the liquid-to-ice transition of soil water. Soil respiration was sensitive to soil water content; predicted respiration under very dry conditions was less than 10% of respiration under moist conditions. While higher vegetation cover increased soil respiration, this was not due to increased root density, and may reflect differences in litter inputs. Microbial substrate-use diversity was negatively related to reference respiration (i.e., respiration rate at a reference temperature and optimal soil moisture), although the mechanism remains unclear. Lastly, this study indicates that soil respiration is inhibited by shallow snowpack through multiple mechanisms; thus, future decreases in snowpack across the sagebrush steppe have the potential to reduce losses of soil C, potentially affecting regional carbon balance.« less

Shallow snowpack inhibits soil respiration in sagebrush steppe through multiple biotic and abiotic mechanisms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tucker, Colin L.; Tamang, Shanker; Pendall, Elise

In sagebrush steppe, snowpack may govern soil respiration through its effect on multiple abiotic and biotic factors. Across the Intermountain West of the United States, snowpack has been declining for decades and is projected to decline further over the next century, making the response of soil respiration to snowpack a potentially important factor in the ecosystem carbon cycle. In this study, we evaluated the direct and indirect roles of the snowpack in driving soil respiration in sagebrush steppe ecosystems by taking advantage of highway snowfences in Wyoming to manipulate snowpack. An important contribution of this study is the use ofmore » Bayesian modeling to quantify the effects of soil moisture and temperature on soil respiration across a wide range of conditions from frozen to hot and dry, while simultaneously accounting for biotic factors (e.g., vegetation cover, root density, and microbial biomass and substrate-use diversity) affected by snowpack. Elevated snow depth increased soil temperature (in the winter) and moisture (winter and spring), and was associated with reduced vegetation cover and microbial biomass carbon. Soil respiration showed an exponential increase with temperature, with a temperature sensitivity that decreased with increasing seasonal temperature (Q 10 = 4.3 [winter], 2.3 [spring], and 1.7 [summer]); frozen soils were associated with unrealistic Q 10 approximate to 7989 due to the liquid-to-ice transition of soil water. Soil respiration was sensitive to soil water content; predicted respiration under very dry conditions was less than 10% of respiration under moist conditions. While higher vegetation cover increased soil respiration, this was not due to increased root density, and may reflect differences in litter inputs. Microbial substrate-use diversity was negatively related to reference respiration (i.e., respiration rate at a reference temperature and optimal soil moisture), although the mechanism remains unclear. Lastly, this study indicates that soil respiration is inhibited by shallow snowpack through multiple mechanisms; thus, future decreases in snowpack across the sagebrush steppe have the potential to reduce losses of soil C, potentially affecting regional carbon balance.« less

Direct measurement of the plasma screening length and surface potential near the lunar terminator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Benson, J.

1977-05-01

Direct measurement of the lunar dayside surface potential and screening length has been made by the suprathermal ion detector experiment (Side) near the terminator. In a region 20degree--30degree from the terminator at the Apollo 14 and 15 sites the surface potential is found to be approximately 50 V negative, and the screening length to be about 1 km. This value of the screening length is more than 2 orders of magnitude greater than the solar wind 'Debye' length. The strong negative surface potential in this region may be due to enhanced temperature and density of the solar wind plasma.

Direct measurement of the plasma screening length and surface potential near the lunar terminator

NASA Technical Reports Server (NTRS)

Benson, J.

1977-01-01

Direct measurement of the lunar dayside surface potential and screening length has been made by the suprathermal ion detector experiment (Side) near the terminator. In a region 20-30 deg from the terminator at the Apollo 14 and 15 sites the surface potential is found to be approximately 50 V negative, and the screening length to be about 1 km. This value of the screening length is more than 2 orders of magnitude greater than the solar wind 'Debye' length. The strong negative surface potential in this region may be due to enhanced temperature and density of the solar wind plasma.

Phase Diagram of the ABC Model on an Interval

NASA Astrophysics Data System (ADS)

Ayyer, A.; Carlen, E. A.; Lebowitz, J. L.; Mohanty, P. K.; Mukamel, D.; Speer, E. R.

2009-12-01

The three species asymmetric ABC model was initially defined on a ring by Evans, Kafri, Koduvely, and Mukamel, and the weakly asymmetric version was later studied by Clincy, Derrida, and Evans. Here the latter model is studied on a one-dimensional lattice of N sites with closed (zero flux) boundaries. In this geometry the local particle conserving dynamics satisfies detailed balance with respect to a canonical Gibbs measure with long range asymmetric pair interactions. This generalizes results for the ring case, where detailed balance holds, and in fact the steady state measure is known, only for the case of equal densities of the different species: in the latter case the stationary states of the system on a ring and on an interval are the same. We prove that in the limit N→∞ the scaled density profiles are given by (pieces of) the periodic trajectory of a particle moving in a quartic confining potential. We further prove uniqueness of the profiles, i.e., the existence of a single phase, in all regions of the parameter space (of average densities and temperature) except at low temperature with all densities equal; in this case a continuum of phases, differing by translation, coexist. The results for the equal density case apply also to the system on the ring, and there extend results of Clincy et al.

Processing of Swarm Accelerometer Data into Thermospheric Neutral Densities

NASA Astrophysics Data System (ADS)

Doornbos, E.; Siemes, C.; Encarnacao, J.; Peřestý, R.; Grunwaldt, L.; Kraus, J.; Holmdahl Olsen, P. E.; van den IJssel, J.; Flury, J.; Apelbaum, G.

2015-12-01

The Swarm satellites were launched on 22 November 2013 and carry accelerometers and GPS receivers as part of their scientific payload. The GPS receivers are not only used for locating the position and time of the magnetic measurements, but also for determining non-gravitational forces like drag and radiation pressure acting on the spacecraft. The accelerometers measure these forces directly, at much finer resolution than the GPS receivers, from which thermospheric neutral densities and potentially winds can be derived. Unfortunately, the acceleration measurements suffer from a variety of disturbances, the most prominent being slow temperature-induced bias variations and sudden bias changes. These disturbances have caused a significant delay of the accelerometer data release. In this presentation, we describe the new three-stage processing that is required for transforming the disturbed acceleration measurements into scientifically valuable thermospheric neutral densities. In the first stage, the sudden bias changes in the acceleration measurements are removed using a dedicated software tool. The second stage is the calibration of the accelerometer measurements against the non-gravitational accelerations derived from the GPS receiver, which includes the correction for the slow temperature-induced bias variations. The third stage consists of transforming the corrected and calibrated accelerations into thermospheric neutral densities. We describe the methods used in each stage, highlight the difficulties encountered, and comment on the quality of the thermospheric neutral density data set, which covers the geomagnetic storm on 17 March 2015.

Rangifer management controls a climate-sensitive tundra state transition.

PubMed

Bråthen, Kari Anne; Ravolainen, Virve Tuulia; Stien, Audun; Tveraa, Torkild; Ims, Rolf A

2017-12-01

Rangifer (caribou/reindeer) management has been suggested to mitigate the temperature-driven transition of Arctic tundra into a shrubland state, yet how this happens is uncertain. Here we study this much focused ecosystem state transition in riparian areas, where palatable willows (Salix) are dominant tall shrubs and highly responsive to climate change. For the state transition to take place, small life stages must become tall and abundant. Therefore we predicted that the performance of small life stages (potential recruits) of the tall shrubs were instrumental to the focal transition, where Rangifer managed at high population density would keep the small-stage shrubs in a "browse trap" independent of summer temperature. We used a large-scale quasi-experimental study design that included real management units that spanned a wide range of Rangifer population densities and summer temperatures in order to assess the relative importance of these two driving variables. Ground surveys provided data on density and height of the small shrub life stages, while the distributional limit (shrubline) of established shrublands (the tall shrub life stage) was derived from aerial photographs. Where Rangifer densities were above a threshold of approximately 5 animals/km 2 , we found, in accordance with the expectation of a "browse trap," that the small life stages of shrubs in grasslands were at low height and low abundance. At Rangifer densities below this threshold, the small life stages of shrubs were taller and more abundant indicating Rangifer were no longer in control of the grassland state. For the established shrubland state, we found that the shrubline was at a 100-m lower elevation in the management units where Rangifer had been browsing in summer as opposed to the migratory ranges with no browsing in summer. In both seasonal ranges, the shrubline increased 100 m per 1°C increment in temperature. Our study supports the proposal that Rangifer management within a sustainable range of animal densities can mitigate the much-focused transition from grassland to shrubland in a warming Arctic. © 2017 by the Ecological Society of America.

Viscosity and density of methanol/water mixtures at low temperatures

NASA Technical Reports Server (NTRS)

Austin, J. G.; Kurata, F.; Swift, G. W.

1968-01-01

Viscosity and density are measured at low temperatures for three methanol/water mixtures. Viscosity is determined by a modified falling cylinder method or a calibrated viscometer. Density is determined by the volume of each mixture contained in a calibrated glass cell placed in a constant-temperature bath.

Gas temperature and density measurements based on spectrally resolved Rayleigh-Brillouin scattering

NASA Technical Reports Server (NTRS)

Seasholtz, Richard G.; Lock, James A.

1992-01-01

The use of molecular Rayleigh scattering for measurements of gas density and temperature is evaluated. The technique used is based on the measurement of the spectrum of the scattered light, where both temperature and density are determined from the spectral shape. Planar imaging of Rayleigh scattering from air using a laser light sheet is evaluated for ambient conditions. The Cramer-Rao lower bounds for the shot-noise limited density and temperature measurement uncertainties are calculated for an ideal optical spectrum analyzer and for a planar mirror Fabry-Perot interferometer used in a static, imaging mode. With this technique, a single image of the Rayleigh scattered light can be analyzed to obtain density (or pressure) and temperature. Experimental results are presented for planar measurements taken in a heated air stream.

Equatorial heating and hemispheric decoupling effects on inner magnetospheric core plasma evolution

NASA Technical Reports Server (NTRS)

Lin, J.; Horwitz, J. L.; Wilson, G. R.; Brown, D. G.

1994-01-01

We have extended our previous semikinetic study of early stage plasmasphere refilling with perpendicular ion heating by removing the restriction that the northern and southern boundaries are identical and incorporating a generalized transport description for the electrons. This allows investigation of the effects of electron heating and a more realistic calculation of electric fields produced by ion and electron temperature anisotropies. The combination of perpendicular ion heating and parallel electron heating leads to an equatorial electrostatic potential peak, which tends to shield and decouple ion flows in the northern and southern hemispheres. Unequal ionospheric upflows in the northern and southern hemispheres lead to the development of distinctly asymmetric densities and other bulk parameters. At t = 5 hour after the initiation of refiling with different source densities (N(sub north) = 100 cu/cm, N(sub south) = 50 cu/cm), the maximum potential drops of the northern and southern hemispheres are 0.6 and 1.3 V, respectively. At this time the minimum ion densities are 11 and 7 cu/cm for the northern and southern hemispheres. DE 1 observations of asymmetric density profiles by Olsen may be consistent with these predictions. Termination of particle heating causes the reduction of equatorial potential and allows interhemispheric coupling. When the inflows from the ionospheres are reduced (as may occur after sunset), decreases in plasma density near the ionospheric regions are observed while the heated trapped ion population at the equator persists.

Decreased voltage-gated potassium currents in rat dorsal root ganglion neurons after chronic constriction injury.

PubMed

Xiao, Yun; Wu, Yang; Zhao, Bo; Xia, Zhongyuan

2016-01-20

Voltage-gated potassium channels (KV) regulate pain transmission by controlling neuronal excitability. Changes in KV expression patterns may thus contribute toward hyperalgesia following nerve injury. The aim of this study was to characterize KV current density in dorsal root ganglion (DRG) neurons following chronic constriction injury (CCI) of the right sciatic nerve, a robust model of post-traumatic neuropathic pain. The study examined changes in small-diameter potassium ion currents (<30 µm) in neurons in the L4-L6 DRG following CCI by whole-cell patch-clamping and the association with post-CCI mechanical and thermal nociceptive thresholds. Compared with the control group, 7 days after CCI, the mechanical force and temperature required to elicit ipsilateral foot withdrawal decreased significantly, indicating tactile allodynia and thermal hyperalgesia. Post-CCI neurons had a significantly lower rheobase current and depolarized resting membrane potential than controls, suggesting KV current downregulation. Some ipsilateral DRG neurons also had spontaneous action potentials and repetitive firing. There was a 55% reduction in the total KV current density caused by a 55% decrease in the sustained delayed rectifier potassium ion current (IK) density and a 17% decrease in the transient A-type potassium ion current (IA) density. These results indicated that changes in DRG neuron IK and IA current density and concomitant afferent hyperexcitability may contribute toward neuropathic pain following injury. The rat CCI model may prove valuable for examining pathogenic mechanisms and potential therapies, such as KV channel modulators.

Thermally oxidized titania nanotubes enhance the corrosion resistance of Ti6Al4V.

PubMed

Grotberg, John; Hamlekhan, Azhang; Butt, Arman; Patel, Sweetu; Royhman, Dmitry; Shokuhfar, Tolou; Sukotjo, Cortino; Takoudis, Christos; Mathew, Mathew T

2016-02-01

The negative impact of in vivo corrosion of metallic biomedical implants remains a complex problem in the medical field. We aimed to determine the effects of electrochemical anodization (60V, 2h) and thermal oxidation (600°C) on the corrosive behavior of Ti-6Al-4V, with serum proteins, at physiological temperature. Anodization produced a mixture of anatase and amorphous TiO2 nanopores and nanotubes, while the annealing process yielded an anatase/rutile mixture of TiO2 nanopores and nanotubes. The surface area was analyzed by the Brunauer-Emmett-Teller method and was estimated to be 3 orders of magnitude higher than that of polished control samples. Corrosion resistance was evaluated on the parameters of open circuit potential, corrosion potential, corrosion current density, passivation current density, polarization resistance and equivalent circuit modeling. Samples both anodized and thermally oxidized exhibited shifts of open circuit potential and corrosion potential in the noble direction, indicating a more stable nanoporous/nanotube layer, as well as lower corrosion current densities and passivation current densities than the smooth control. They also showed increased polarization resistance and diffusion limited charge transfer within the bulk oxide layer. The treatment groups studied can be ordered from greatest corrosion resistance to least as Anodized+Thermally Oxidized > Anodized > Smooth > Thermally Oxidized for the conditions investigated. This study concludes that anodized surface has a potential to prevent long term implant failure due to corrosion in a complex in-vivo environment. Copyright © 2015 Elsevier B.V. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Medvedev, S. Yu., E-mail: medvedev@a5.kiam.ru; Ivanov, A. A., E-mail: aai@a5.kiam.ru; Martynov, A. A., E-mail: martynov@a5.kiam.ru

The influence of current density and pressure gradient profiles in the pedestal on the access to the regimes free from edge localized modes (ELMs) like quiescent H-mode in ITER is investigated. Using the simulator of MHD modes localized near plasma boundary based on the KINX code, calculations of the ELM stability were performed for the ITER plasma in scenarios 2 and 4 under variations of density and temperature profiles with the self-consistent bootstrap current in the pedestal. Low pressure gradient values at the separatrix, the same position of the density and temperature pedestals and high poloidal beta values facilitate reachingmore » high current density in the pedestal and a potential transition into the regime with saturated large scale kink modes. New version of the localized MHD mode simulator allows one to compute the growth rates of ideal peeling-ballooning modes with different toroidal mode numbers and to determine the stability region taking into account diamagnetic stabilization. The edge stability diagrams computations and sensitivity studies of the stability limits to the value of diamagnetic frequency show that diamagnetic stabilization of the modes with high toroidal mode numbers can help to access the quiescent H-mode even with high plasma density but only with low pressure gradient values at the separatrix. The limiting pressure at the top of the pedestal increases for higher plasma density. With flat density profile the access to the quiescent H-mode is closed even with diamagnetic stabilization taken into account, while toroidal mode numbers of the most unstable peeling-ballooning mode decrease from n = 10−40 to n = 3−20.« less

Potential of energy harvesting in barium titanate based laminates from room temperature to cryogenic/high temperatures: measurements and linking phase field and finite element simulations

NASA Astrophysics Data System (ADS)

Narita, Fumio; Fox, Marina; Mori, Kotaro; Takeuchi, Hiroki; Kobayashi, Takuya; Omote, Kenji

2017-11-01

This paper studies the energy harvesting characteristics of piezoelectric laminates consisting of barium titanate (BaTiO3) and copper (Cu) from room temperature to cryogenic/high temperatures both experimentally and numerically. First, the output voltages of the piezoelectric BaTiO3/Cu laminates were measured from room temperature to a cryogenic temperature (77 K). The output power was evaluated for various values of load resistance. The results showed that the maximum output power density is approximately 2240 nW cm-3. The output voltages of the BaTiO3/Cu laminates were also measured from room temperature to a higher temperature (333 K). To discuss the output voltages of the BaTiO3/Cu laminates due to temperature changes, phase field and finite element simulations were combined. A phase field model for grain growth was used to generate grain structures. The phase field model was then employed for BaTiO3 polycrystals, coupled with the time-dependent Ginzburg-Landau theory and the oxygen vacancies diffusion, to calculate the temperature-dependent piezoelectric coefficient and permittivity. Using these properties, the output voltages of the BaTiO3/Cu laminates from room temperature to both 77 K and 333 K were analyzed by three dimensional finite element methods, and the results are presented for several grain sizes and oxygen vacancy densities. It was found that electricity in the BaTiO3 ceramic layer is generated not only through the piezoelectric effect caused by a thermally induced bending stress but also by the temperature dependence of the BaTiO3 piezoelectric coefficient and permittivity.

Identical spin rotation effect and electron spin waves in quantum gas of atomic hydrogen

NASA Astrophysics Data System (ADS)

Lehtonen, L.; Vainio, O.; Ahokas, J.; Järvinen, J.; Novotny, S.; Sheludyakov, S.; Suominen, K.-A.; Vasiliev, S.; Khmelenko, V. V.; Lee, D. M.

2018-05-01

We present an experimental study of electron spin waves in atomic hydrogen gas compressed to high densities of ∼5 × 1018 cm‑3 at temperatures ranging from 0.26 to 0.6 K in the strong magnetic field of 4.6 T. Hydrogen gas is in a quantum regime when the thermal de-Broglie wavelength is much larger than the s-wave scattering length. In this regime the identical particle effects play a major role in atomic collisions and lead to the identical spin rotation effect (ISR). We observed a variety of spin wave modes caused by this effect with strong dependence on the magnetic potential caused by variations of the polarizing magnetic field. We demonstrate confinement of the ISR modes in the magnetic potential and manipulate their properties by changing the spatial profile of the magnetic field. We have found that at a high enough density of H gas the magnons accumulate in their ground state in the magnetic trap and exhibit long coherence, which has a profound effect on the electron spin resonance spectra. Such macroscopic accumulation of the ground state occurs at a certain critical density of hydrogen gas, where the chemical potential of the magnons becomes equal to the energy of their ground state in the trapping potential.

Irradiation response of commercial, high-Tc superconducting tapes: Electromagnetic transport properties

DOE PAGES

Gapud, A. A.; Greenwood, N. T.; Alexander, J. A.; ...

2015-07-01

Effects of low dose irradiation on the electrical transport current properties of commercially available high-temperature superconducting, coated-conductor tapes were investigated, in view of potential applications in the irradiative environment of fusion reactors. Three different tapes, each with unique as-grown flux-pinning structures, were irradiated with Au and Ni ions at energies that provide a range of damage effects, with accumulated damage levels near that expected for conductors in a fusion reactor environment. Measurements using transport current determined the pre- and post-irradiation resistivity, critical current density, and pinning force density, yielding critical temperatures, irreversibility lines, and inferred vortex creep rates. Results showmore » that at the irradiation damage levels tested, any detriment to as-grown pre-irradiation properties is modest; indeed in one case already-superior pinning forces are enhanced, leading to higher critical currents.« less

Solid Polymer Electrolyte (SPE) fuel cell technology program

NASA Technical Reports Server (NTRS)

1978-01-01

Many previously demonstrated improved fuel cell features were consolidated to (1) obtain a better understanding of the observed characteristics of the operating laboratory-sized cells; (2) evaluate appropriate improved fuel cell features in 0.7 sq ft cell hardware; and (3) study the resultant fuel cell capability and determine its impact on various potential fuel cell space missions. The observed performance characteristics of the fuel cell at high temperatures and high current densities were matched with a theoretical model based on the change in Gibbs free energy voltage with respect to temperature and internal resistance change with current density. Excellent agreement between the observed and model performance was obtained. The observed performance decay with operational time on cells with very low noble metal loadings (0.05 mg/sq cm) were shown to be related to loss in surface area. Cells with the baseline amount of noble catalyst electrode loading demonstrated over 40,000 hours of stable performance.

Radial Profiles of the Plasma Electron Characteristics in a 30 kW Arc Jet

NASA Technical Reports Server (NTRS)

Codron, Douglas A.; Nawaz, Anuscheh

2013-01-01

The present effort aims to strengthen modeling work conducted at the NASA Ames Research Center by measuring the critical plasma electron characteristics within and slightly outside of an arc jet plasma column. These characteristics are intended to give physical insights while assisting in the formulation of boundary conditions to validate full scale simulations. Single and triple Langmuir probes have been used to achieve estimates of the electron temperature (T(sub e)), electron number density (n(sub e)) and plasma potential (outside of the plasma column) as probing location is varied radially from the flow centerline. Both the electron temperature and electron number density measurements show a large dependence on radial distance from the plasma column centerline with T(sub e) approx. = (3 - 12 eV and n(sub e) approx. = 10(exp 12) - 10(exp 14)/cu cm.

Equations of state and transport properties of mixtures in the warm dense regime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hou, Yong; Dai, Jiayu; Kang, Dongdong

2015-02-15

We have performed average-atom molecular dynamics to simulate the CH and LiH mixtures in the warm dense regime, and obtained equations of state and the ionic transport properties. The electronic structures are calculated by using the modified average-atom model, which have included the broadening of energy levels, and the ion-ion pair potentials of mixtures are constructed based on the temperature-dependent density functional theory. The ionic transport properties, such as ionic diffusion and shear viscosity, are obtained through the ionic velocity correlation functions. The equations of state and transport properties for carbon, hydrogen and lithium, hydrogen mixtures in a wide regionmore » of density and temperature are calculated. Through our computing the average ionization degree, average ion-sphere diameter and transition properties in the mixture, it is shown that transport properties depend not only on the ionic mass but also on the average ionization degree.« less

Sintering Behavior of Hypereutectic Aluminum-Silicon Metal Matrix Composites Powder

NASA Astrophysics Data System (ADS)

Rudianto, Haris; Sun, Yang Sang; Jin, Kim Yong; Woo, Nam Ki

Lightweight materials of Aluminum-Silicon P/M alloys offer the advantage of high-wear resistance, high strength, good temperature resistance, and a low coefficient of thermal expansion. An A359 MMC alloy was mixed together with Alumix 231 in this research. Powders were compacted with compaction pressure up to 700 MPa. Particle size and compaction pressure influenced green density. Compacted powders were sintered in a tube furnace under a flowing nitrogen gas. Sintering temperature, heating rate and sintering time were verified to determine best sintering conditions of the alloys. Chemical composition also contributed to gain higher sintered density. Precipitation strengthening method was used to improve mechanical properties of this materials.T6 heat treatment was carried out to produce fine precipitates to impede movement of dislocation. The chemical composition of this materials allow for the potential formation of several strengthening precipitates including θ (Al2Cu) and β (Mg2Si).

Viabilty of atomistic potentials for thermodynamic properties of carbon dioxide at low temperatures.

PubMed

Kuznetsova, Tatyana; Kvamme, Bjørn

2001-11-30

Investigation into volumetric and energetic properties of several atomistic models mimicking carbon dioxide geometry and quadrupole momentum covered the liquid-vapor coexistence curve. Thermodynamic integration over a polynomial and an exponential-polynomial path was used to calculate free energy. Computational results showed that model using GROMOS Lennard-Jones parameters was unsuitable for bulk CO(2) simulations. On the other hand, model with potential fitted to reproduce only correct density-pressure relationship in the supercritical region proved to yield correct enthalpy of vaporization and free energy of liquid CO(2) in the low-temperature region. Except for molar volume at the upper part of the vapor-liquid equilibrium line, the bulk properties of exp-6-1 parametrization of ab initio CO(2) potential were in a close agreement with the experimental results. Copyright 2001 John Wiley & Sons, Inc. J Comput Chem 22: 1772-1781, 2001

Effective mass in bilayer graphene at low carrier densities: The role of potential disorder and electron-electron interaction

NASA Astrophysics Data System (ADS)

Li, J.; Tan, L. Z.; Zou, K.; Stabile, A. A.; Seiwell, D. J.; Watanabe, K.; Taniguchi, T.; Louie, Steven G.; Zhu, J.

2016-10-01

In a two-dimensional electron gas, the electron-electron interaction generally becomes stronger at lower carrier densities and renormalizes the Fermi-liquid parameters, such as the effective mass of carriers. We combine experiment and theory to study the effective masses of electrons and holes me* and mh* in bilayer graphene in the low carrier density regime on the order of 1 ×1011c m-2 . Measurements use temperature-dependent low-field Shubnikov-de Haas oscillations observed in high-mobility hexagonal boron nitride supported samples. We find that while me* follows a tight-binding description in the whole density range, mh* starts to drop rapidly below the tight-binding description at a carrier density of n =6 ×1011c m-2 and exhibits a strong suppression of 30% when n reaches 2 ×1011c m-2 . Contributions from the electron-electron interaction alone, evaluated using several different approximations, cannot explain the experimental trend. Instead, the effect of the potential fluctuation and the resulting electron-hole puddles play a crucial role. Calculations including both the electron-electron interaction and disorder effects explain the experimental data qualitatively and quantitatively. This Rapid Communication reveals an unusual disorder effect unique to two-dimensional semimetallic systems.

Experimental evidence for herbivore limitation of the treeline.

PubMed

Speed, James D M; Austrheim, Gunnar; Hester, Alison J; Mysterud, Atle

2010-11-01

The treeline ecotone divides forest from open alpine or arctic vegetation states. Treelines are generally perceived to be temperature limited. The role of herbivores in limiting the treeline is more controversial, as experimental evidence from relevant large scales is lacking. Here we quantify the impact of different experimentally controlled herbivore densities on the recruitment and survival of birch Betula pubescens tortuosa along an altitudinal gradient in the mountains of southern Norway. After eight years of summer grazing in large-scale enclosures at densities of 0, 25, and 80 sheep/km2, birch recruited within the whole altitudinal range of ungrazed enclosures, but recruitment was rarer in enclosures with low-density sheep and was largely limited to within the treeline in enclosures with high-density sheep. In contrast, the distribution of saplings (birch older than the experiment) did not differ between grazing treatments, suggesting that grazing sheep primarily limit the establishment of new tree recruits rather than decrease the survival of existing individuals. This study provides direct experimental evidence that herbivores can limit the treeline below its potential at the landscape scale and even at low herbivore densities in this climatic zone. Land use changes should thus be considered in addition to climatic changes as potential drivers of ecotone shifts.

Effect of temperature on porosity of iron ore sinter with biochar derived from EFB

NASA Astrophysics Data System (ADS)

Purwanto, H.; Rozhan, A. N.; Zakiyuddin, A.; Mohamad, A. S.

2018-01-01

In this research, the replacement of fossil fuel energy (coke) with oil palm empty fruit bunch as a potential energy in sintering of iron ore was investigated. Carbon derived biomass has been produced by using oil palm empty fruit bunch by heat treatment process. In the present investigation, sintering process was carried out by heating the mixed iron ore and biochar at various temperatures. The apparent density and porosity for iron sinter show a significant increase and gradual decrement as the temperature increase, respectively. The porosity of iron sinter shows a gradual decrement from 950 °C to 1050 °C but up to 1150 °C it shows a significant decrement about 44%. Inferring to the micrograph, the agglomeration and assimilation of sinter at high temperature is better compared with low sintering temperature.

Charge Density Dependent Hole Mobility and Density of States Throughout the Entire Finite Potential Window of Conductivity in Ionic Liquid Gated Poly(3-hexylthiophene)

NASA Astrophysics Data System (ADS)

Paulsen, Bryan D.; Frisbie, C. Daniel

2012-02-01

Ionic liquids, used in place of traditional gate dielectric materials, allow for the accumulation of very high 2D and 3D charge densities (>10^14 #/cm^2 and >10^21 #/cm^3 respectively) at low voltage (<5 V). Here we study the electrochemical gating of the benchmark semiconducting polymer poly(3-hexylthiophene) (P3HT) with the ionic liquid 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([EMI][FAP]). The electrochemical stability of [EMI][FAP] allowed the reproducible accumulation of 2 x 10^21 hole/cm^3, or one hole (and stabilizing anion dopant) per every two thiophene rings. A finite potential/charge density window of high electrical conductivity was observed with hole mobility reaching a maximum of 0.86 cm^2/V s at 0.12 holes per thiophene ring. Displacement current measurements, collected versus a calibrated reference electrode, allowed the mapping of the highly structured and extremely broad density of states of the P3HT/[EMI][FAP] doped composite. Variable temperature and charge density hole transport measurements revealed hole transport to be thermally activated and non-monotonic, displaying a activation energy minimum of ˜20 meV in the region of maximum conductivity and hole mobility. To show the generality of this result, the study was extended to an additional four ionic liquids and three semiconducting polymers.