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At least 1,351 records · Page 75
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DOE OSTI2013

THERMODYNAMICS OF THE COMA CLUSTER OUTSKIRTS

We present results from a large mosaic of Suzaku observations of the Coma Cluster, the nearest and X-ray brightest hot ({approx}8 keV), dynamically active, non-cool core system, focusing on the thermodynamic properties of the intracluster medium on large scales. For azimuths not aligned with an infalling subcluster toward the southwest, our measured temperature and X-ray brightness profiles exhibit broadly consistent radial trends, with the temperature decreasing from about 8.5 keV at the cluster center to about 2 keV at a radius of 2 Mpc, which is the edge of our detection limit. The southwest merger significantly boosts the surface brightness, allowing us to detect X-ray emission out to {approx}2.2 Mpc along this direction. Apart from the southwestern infalling subcluster, the surface brightness profiles show multiple edges around radii of 30-40 arcmin. The azimuthally averaged temperature profile, as well as the deprojected density and pressure profiles, all show a sharp drop consistent with an outwardly-propagating shock front located at 40 arcmin, corresponding to the outermost edge of the giant radio halo observed at 352 MHz with the Westerbork Synthesis Radio Telescope. The shock front may be powering this radio emission. A clear entropy excess inside of r{sub 500} reflects the violent merging events linked with these morphological features. Beyond r{sub 500}, the entropy profiles of the Coma Cluster along the relatively relaxed directions are consistent with the power-law behavior expected from simple models of gravitational large-scale structure formation. The pressure is also in agreement at these radii with the expected values measured from Sunyaev-Zel'dovich data from the Planck satellite. However, due to the large uncertainties associated with the Coma Cluster measurements, we cannot yet exclude an entropy flattening in this system consistent with that seen in more relaxed cool core clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

NON-LOCAL THERMODYNAMICAL EQUILIBRIUM EFFECTS ON THE IRON ABUNDANCE OF ASYMPTOTIC GIANT BRANCH STARS IN 47 TUCANAE

We present the iron abundance of 24 asymptotic giant branch (AGB) stars, members of the globular cluster 47 Tucanae, obtained with high-resolution spectra collected with the FEROS spectrograph at the MPG/ESO 2.2 m Telescope. We find that the iron abundances derived from neutral lines (with a mean value [Fe I/H] =–0.94 ± 0.01, σ = 0.08 dex) are systematically lower than those derived from single ionized lines ([Fe II/H] =–0.83 ± 0.01, σ = 0.05 dex). Only the latter are in agreement with those obtained for a sample of red giant branch (RGB) cluster stars, for which the Fe I and Fe II lines provide the same iron abundance. This finding suggests that non-local thermodynamical equilibrium (NLTE) effects driven by overionization mechanisms are present in the atmosphere of AGB stars and significantly affect the Fe I lines while leaving Fe II features unaltered. On the other hand, the very good ionization equilibrium found for RGB stars indicates that these NLTE effects may depend on the evolutionary stage. We discuss the impact of this finding on both the chemical analysis of AGB stars and on the search for evolved blue stragglers.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Generalized second law of thermodynamics in f(T) gravity

We investigate the validity of the generalized second law (GSL) of gravitational thermodynamics in the framework of f(T) modified teleparallel gravity. We consider a spatially flat FRW universe containing only the pressureless matter. The boundary of the universe is assumed to be enclosed by the Hubble horizon. For two viable f(T) models containing f(T) = T+μ{sub 1}((−T)){sup n} and f(T) = T−μ{sub 2}T(1−e{sup βT{sub 0}/T}), we first calculate the effective equation of state and deceleration parameters. Then, (we investigate the null and strong energy conditions and conclude that a sudden future singularity appears in both models. Furthermore, using a cosmographic analysis we check the viability of two models. Finally, we examine the validity of the GSL and find that for both models it) is satisfied from the early times to the present epoch. But in the future, the GSL is violated for the special ranges of the torsion scalar T.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Impacts of generalized uncertainty principle on black hole thermodynamics and Salecker-Wigner inequalities

We investigate the impacts of Generalized Uncertainty Principle (GUP) proposed by some approaches to quantum gravity such as String Theory and Doubly Special Relativity on black hole thermodynamics and Salecker-Wigner inequalities. Utilizing Heisenberg uncertainty principle, the Hawking temperature, Bekenstein entropy, specific heat, emission rate and decay time are calculated. As the evaporation entirely eats up the black hole mass, the specific heat vanishes and the temperature approaches infinity with an infinite radiation rate. It is found that the GUP approach prevents the black hole from the entire evaporation. It implies the existence of remnants at which the specific heat vanishes. The same role is played by the Heisenberg uncertainty principle in constructing the hydrogen atom. We discuss how the linear GUP approach solves the entire-evaporation-problem. Furthermore, the black hole lifetime can be estimated using another approach; the Salecker-Wigner inequalities. Assuming that the quantum position uncertainty is limited to the minimum wavelength of measuring signal, Wigner second inequality can be obtained. If the spread of quantum clock is limited to some minimum value, then the modified black hole lifetime can be deduced. Based on linear GUP approach, the resulting lifetime difference depends on black hole relative mass and the difference between black hole mass with and without GUP is not negligible.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

ΛCDM model in f(T) gravity: reconstruction, thermodynamics and stability

We investigate some cosmological features of the ΛCDM model in the framework of the generalized teleparallel theory of gravity f(T) where T denotes the torsion scalar. Its reconstruction is performed giving rise to an integration constant Q and other input parameters according to which we point out more analysis. Thereby, we show that for some values of this constant, the first and second laws of thermodynamics can be realized in the equilibrium description, for the universe with the temperature inside the horizon equal to that at the apparent horizon. Moreover, still within these suitable values of the constant, we show that the model may be stable using the de Sitter and Power-Law cosmological solutions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

A note on physical mass and the thermodynamics of AdS-Kerr black holes

As with any black hole, asymptotically anti-de Sitter Kerr black holes are described by a small number of parameters, including a ''mass parameter'' M that reduces to the AdS-Schwarzschild mass in the limit of vanishing angular momentum. In sharp contrast to the asymptotically flat case, the horizon area of such a black hole increases with the angular momentum parameter a if one fixes M; this appears to mean that the Penrose process in this case would violate the Second Law of black hole thermodynamics. We show that the correct procedure is to fix not M but rather the ''physical'' mass E=M/(1−a{sup 2}/L{sup 2}){sup 2}; this is motivated by the First Law. For then the horizon area decreases with a. We recommend that E always be used as the mass in physical processes: for example, in attempts to ''over-spin'' AdS-Kerr black holes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Thermodynamics and luminosities of rainbow black holes

Doubly special relativity (DSR) is an effective model for encoding quantum gravity in flat spacetime. As result of the nonlinearity of the Lorentz transformation, the energy-momentum dispersion relation is modified. One simple way to import DSR to curved spacetime is ''Gravity's rainbow'', where the spacetime background felt by a test particle would depend on its energy. Focusing on the ''Amelino-Camelia dispersion relation'' which is E{sup 2} = m{sup 2}+p{sup 2}[1−η(E/m{sub p}){sup n}] with n > 0, we investigate the thermodynamical properties of a Schwarzschild black hole and a static uncharged black string for all possible values of η and n in the framework of rainbow gravity. It shows that there are non-vanishing minimum masses for these two black holes in the cases with η < 0 and n ≥ 2. Considering effects of rainbow gravity on both the Hawking temperature and radius of the event horizon, we use the geometric optics approximation to compute luminosities of a 2D black hole, a Schwarzschild one and a static uncharged black string. It is found that the luminosities can be significantly suppressed or boosted depending on the values of η and n.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

On the thermodynamic origin of the initial radiation energy density in warm inflation

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 initial 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.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Thermodynamics of strongly interacting fermions in two-dimensional optical lattices

We study finite-temperature properties of strongly correlated fermions in two-dimensional optical lattices by means of numerical linked cluster expansions, a computational technique that allows one to obtain exact results in the thermodynamic limit. We focus our analysis on the strongly interacting regime, where the on-site repulsion is of the order of or greater than the band width. We compute the equation of state, double occupancy, entropy, uniform susceptibility, and spin correlations for temperatures that are similar to or below the ones achieved in current optical lattice experiments. We provide a quantitative analysis of adiabatic cooling of trapped fermions in two dimensions, by means of both flattening the trapping potential and increasing the interaction strength.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Recent thermodynamic results from lattice QCD analyzed within a quasiparticle model

The thermodynamic behavior of QCD matter at high temperature is currently studied by lattice QCD theory. The main features are the fast rise of the energy density {epsilon} around the critical temperature T{sub c} and the large trace anomaly of the energy momentum tensor <{Theta}{sub {mu}}{sup {mu}}>={epsilon}-3P, which hints at a strongly interacting system. Such features can be accounted for by employing a massive quasiparticle model with a temperature-dependent bag constant. Recent lattice QCD calculations with physical quark masses by the Wuppertal-Budapest group show a slower increase of {epsilon} and a smaller <{Theta}{sub {mu}}{sup {mu}}> peak with respect to previous results from the HotQCD Collaboration. We investigate the implications of such differences from the point of view of a quasiparticle model, also discussing light and strange quark number susceptibilities. Furthermore, we predict the impact of these discrepancies on the temperature dependence of the transport properties of matter, like the shear and bulk viscosities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Asymmetric temperature equilibration with heat flow from cold to hot in a quantum thermodynamic system

A model computational quantum thermodynamic network is constructed with two variable temperature baths coupled by a linker system, with an asymmetry in the coupling of the linker to the two baths. It is found in computational simulations that the baths come to “thermal equilibrium” at different bath energies and temperatures. In a sense, heat is observed to flow from cold to hot. Additionally, a description is given in which a recently defined quantum entropy S univ Q for a pure state “universe” continues to increase after passing through the classical equilibrium point of equal temperatures, reaching a maximum at the asymmetric equilibrium. Thus, a second law account Δ S univ Q ≥ 0 holds for the asymmetric quantum process. In contrast, a von Neumann entropy description fails to uphold the entropy law, with a maximum near when the two temperatures are equal, then a decrease Δ S v N < 0 on the way to the asymmetric equilibrium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Thermodynamic properties of a symmetrical binary mixture in the coexistence region

A three-dimensional symmetric binary fluid is studied, as a function of temperature, in the two-phase (liquid-liquid) coexistence region via Monte Carlo simulations. Particular focus has been in the understanding of curvature-dependent interfacial tension, which is observed to vary as {sigma}(R)={sigma}({infinity})/[1+2((l/R)){sup 2}], implying that a Tolman length is zero in the limit R{yields}{infinity}. The length l is found to have a critical divergence the same as the correlation length, but its amplitude is significantly larger (l{approx_equal}4{xi}). Our findings hence imply that the barrier against homogeneous nucleation is significantly reduced (in comparison with the classical nucleation theory) in the critical region. We also report results for the critical behavior of the flat interfacial tension {sigma}({infinity}) and the concentration susceptibility, as well as the amplitude ratios involving these thermodynamic quantities. Noting that the interatomic potential in our model is described by the Lennard-Jones form that decays faster that 1/r{sup 3}, all of our results for critical phenomena are expectedly consistent with the Ising universality class of three spatial dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Thermodynamic Phase Transition in Magnetic Reconnection

By examining the entropy production in fully kinetic simulations of collisional plasmas, it is shown that the transition from collisional Sweet-Parker reconnection to collisionless Hall reconnection may be viewed as a thermodynamic phase transition. The phase transition occurs when the reconnection electric field satisfies E = $E_{D}\sqrt{m{e}/{m}_i}$ , where ${m{e}/{m}_i}$ is the electron-to-ion mass ratio and E D is the Dreicer electric field. This condition applies for all ${m{e}/{m}_i}$, including ${m{e}/{m}_i}$ = 1 , where the Hall regime vanishes and a direct phase transition from the collisional to the kinetic regime occurs. In the limit ${m{e}/{m}_i}$ → 0, this condition is equivalent to there being a critical electron temperature $Te ≈ m_iΩ^{2}_{i}δ^{2}$, where $Ω_i$ is the ion cyclotron frequency and δ is the current sheet half-thickness. The heat capacity of the current sheet changes discontinuously across the phase transition, and a critical power law is identified in an effective heat capacity. A model for the time-dependent evolution of an isolated current sheet in the collisional regime is derived.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Thermodynamic assessment and experimental verification of reactive ion etching of magnetic metal elements

A thermodynamic analysis of etch chemistries for Co, Fe, and Ni using a combination of hydrogen, oxygen, and halogen gases suggested that a single etchant does not work at 300 K; however, a sequential exposure to multiple etchants results in sufficiently high partial pressure of the reaction products for the process to be considered viable. This sequential dose utilized the two reactions, a surface halogenation followed by the secondary etchant exposure. (MX{sub 2} (c) + 3Y →MY(g) + 2XY(g), where M = Co, Fe, Ni; X = F, Cl, Br; Y = O, H) The volatilization reaction induced by sequential plasma exposure changed the equilibrium point, increasing the partial pressure of the etch product. Amongst all combinations, Cl{sub 2} or Br{sub 2} plasmas followed by H{sub 2} plasma were the most effective. From both the gas phase diagnostics and surface composition analysis, H{sub 2} plasma alone could not etch metallic Co, Fe, and Ni films but alternating doses of Cl{sub 2} and H{sub 2} plasmas resulted in more effective removal of chlorinated metals and increased the overall etch rate.

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

Thermodynamics and kinetics of H adsorption and intercalation for graphene on 6 H -SiC(0001) from first-principles calculations

Previous experimental observations for H intercalation under graphene on SiC surfaces motivate the clarification of configuration stabilities and kinetic processes related to intercalation. From first-principles density-functional-theory calculations, we analyze H adsorption and intercalation for graphene on a 6H-SiC(0001) surface, where the system includes two single-atom-thick graphene layers: the top-layer graphene (TLG) and the underling buffer-layer graphene (BLG) above the terminal Si layer. Our chemical potential analysis shows that in the low-H coverage regime (described by a single H atom within a sufficiently large supercell), intercalation into the gallery between TLG and BLG or into the gallery underneath BLG is more favorable thermodynamically than adsorption on top of TLG. However, intercalation into the gallery between TLG and BLG is most favorable. We obtain energy barriers of about 1.3 and 2.3 eV for a H atom diffusing on and under TLG, respectively. From an additional analysis of the energy landscape in the vicinity of a step on the TLG, we assess how readily one guest H atom on the TLG terrace can directly penetrate the TLG into the gallery between TLG and BLG versus crossing a TLG step to access the gallery. Finally, we also perform density functional theory calculations for higher H coverages revealing a shift in favorability to intercalation of H underneath BLG and characterizing the variation with H coverage in interlayer spacings.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Phase Equilibria in the Cu{sub 2}Se–Cu{sub 3}AsSe{sub 4}–Se System and Thermodynamic Properties of Cu{sub 3}AsSe{sub 4}

The Cu{sub 2}Se–Cu{sub 3}AsSe{sub 4}–Se system has been studied using differential thermal analysis, X-ray diffraction, and emf measurements on concentration cells using Cu{sub 4}RbCl{sub 3}I{sub 2} as a solid electrolyte. We have constructed a number of vertical sections through the phase diagram, the room-temperature solid-state phase compatibility diagram, and a projection of the liquidus surface. The primary crystallization fields of the phases present and the types and coordinates of in- and univariant equilibria in the system have been identified. The system has been shown to contain a broad liquid–liquid immiscibility region. Using emf data, we evaluated the standard thermodynamic functions of formation and standard entropy of the Cu{sub 3}AsSe{sub 4} compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

On the statistical thermodynamics of a free-standing nanocrystal: Silicon

The dependence of the thermodynamic parameters of a free-standing nanocrystal of simple matter on its size, density, temperature, and surface shape has been studied. The following parameters have been analyzed: Debye temperature Θ, Gruneisen parameter γ, melting temperature T{sub m}, surface energy σ, surface pressure P{sub sf}, elastic modulus B{sub T}, Poisson ratio μ, thermal expansion coefficient α{sub p}, and specific heats c{sub v} and c{sub p}. Calculations performed for silicon have shown that the functions Θ, T{sub m}, σ, and B{sub T} decrease, whereas the functions γ, |P{sub sf}|, μ, α{sub p}, c{sub v}, and c{sub p} increase with an isomorphic decrease in the number of atoms N. The stronger the nanocrystal shape deviates from the most energetically stable shape, the more pronounced the change in the aforementioned functions with an isothermal decrease in N is.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

On the Relationship of the Fractal Dimension of Structure with the State of Drying Drops of Crystallizing Solutions (Thermodynamic and Experimental Modeling)

The processes occurring in aqueous salt solutions have been investigated based on thermodynamic and experimental modeling. The self-organization in a drying drop of dehydrated liquids is analyzed using the fractal theory, due to which the quantitative characteristics of the crystallization processes in a small volume are obtained.

36 MATERIALS SCIENCE↗