A Theory of the Lifted Temperature Minimum on Calm Clear Nights

Numerous reports from several parts of the world have confirmed that on calm clear nights a minimum in air temperature can occur just above ground, at heights of the order of $\frac{1}{2}$ m or less. This phenomenon, first observed by Ramdas & Atmanathan (1932), carries the associated paradox of an apparently unstable layer that sustains itself for several hours, and has not so far been satisfactorily explained. We formulate here a theory that considers energy balance between radiation, conduction and free or forced convection in humid air, with surface temperature, humidity and wind incorporated into an appropriate mathematical model as parameters. A complete numerical solution of the coupled air-soil problem is used to validate an approach that specifies the surface temperature boundary condition through a cooling rate parameter. Utilizing a flux-emissivity scheme for computing radiative transfer, the model is numerically solved for various values of turbulent friction velocity. It is shown that a lifted minimum is predicted by the model for values of ground emissivity not too close to unity, and for sufficiently low surface cooling rates and eddy transport. Agreement with observation for reasonable values of the parameters is demonstrated. A heuristic argument is offered to show that radiation substantially increases the critical Rayleigh number for convection, thus circumventing or weakening Rayleigh-Benard instability. The model highlights the key role played by two parameters generally ignored in explanations of the phenomenon, namely surface emissivity and soil thermal conductivity, and shows that it is unnecessary to invoke the presence of such particulate constituents as haze to produce a lifted minimum.

Renewable Energy and Climate Policies: Studies in the Forest and Energy Sector

‪This dissertation examines the impacts of energy and climate policies on the energy and forest sectors, focusing on the case of Finland. The thesis consists of an introduction article and four separate studies. The dissertation was motivated by the climate concern and the increasing demand of renewable energy. In particular, the renewable energy consumption and greenhouse gas emission reduction targets of the European Union were driving this work. In Finland, both forest and energy sectors are in key roles in achieving these targets. In fact, the separation between forest and energy sector is diminishing as the energy sector is utilizing increasing amounts of wood in energy production and as the forest sector is becoming more and more important energy producer.‬ ‪The objective of this dissertation is to find out and measure the impacts of climate and energy policies on the forest and energy sectors. In climate policy, the focus is on emissions trading, and in energy policy the dissertation focuses on the promotion of renewable forest-based energy use. The dissertation relies on empirical numerical models that are based on microeconomic theory. Numerical partial equilibrium mixed complementarity problem models were constructed to study the markets under scrutiny. The separate studies focus on co-firing of wood biomass and fossil fuels, liquid biofuel production in the pulp and paper industry, and the impacts of climate policy on the pulp and paper sector.‬ ‪The dissertation shows that the policies promoting wood-based energy may have have unexpected negative impacts. When feed-in tariff is imposed together with emissions trading, in some plants the production of renewable electricity might decrease as the emissions price increases. The dissertation also shows that in liquid biofuel production, investment subsidy may cause high direct policy costs and other negative impacts when compared to other policy instruments. The results of the dissertation also indicate that from the climate mitigation perspective, perfect competition is the favored wood market competition structure, at least if the emissions trading system is not global.‬ ‪In conclusion, this dissertation suggests that when promoting the use of wood biomass in energy production, the favored policy instruments are subsidies that promote directly the renewable energy production (i.e. production subsidy, renewables subsidy or feed-in premium). Also, the policy instrument should be designed to be dependent on the emissions price or on the substitute price. In addition, this dissertation shows that when planning policies to promote wood-based renewable energy, the goals of the policy scheme should be clear before decisions are made on the choice of the policy instruments.‬

Phenomenological Ginzburg-Landau-like theory for superconductivity in the cuprates

We propose and develop here a phenomenological Ginzburg-Landau-like theory of cuprate high-temperature superconductivity. The free energy of a cuprate superconductor is expressed as a functional F of the complex spin-singlet pair amplitude psi(ij) equivalent to psi(m) = Delta(m) exp(i phi(m)), where i and j are nearest-neighbor sites of the square planar Cu lattice in which the superconductivity is believed to primarily reside, and m labels the site located at the center of the bond between i and j. The system is modeled as a weakly coupled stack of such planes. We hypothesize a simple form FDelta, phi] = Sigma(m)A Delta(2)(m) + (B/2)Delta(4)(m)] + C Sigma(< mn >) Delta(m) Delta(n) cos(phi(m) - phi(n)) for the functional, where m and n are nearest-neighbor sites on the bond-center lattice. This form is analogous to the original continuum Ginzburg-Landau free-energy functional; the coefficients A, B, and C are determined from comparison with experiments. A combination of analytic approximations, numerical minimization, and Monte Carlo simulations is used to work out a number of consequences of the proposed functional for specific choices of A, B, and C as functions of hole density x and temperature T. There can be a rapid crossover of from small to large values as A changes sign from positive to negative on lowering T; this crossover temperature T-ms(x) is identified with the observed pseudogap temperature T*(x). The thermodynamic superconducting phase-coherence transition occurs at a lower temperature T-c(x), and describes superconductivity with d-wave symmetry for positive C. The calculated T-c(x) curve has the observed parabolic shape. The results for the superfluid density rho(s)(x, T), the local gap magnitude , the specific heat C-v(x, T) (with and without a magnetic field), as well as vortex properties, all obtained using the proposed functional, are compared successfully with experiments. We also obtain the electron spectral density as influenced by the coupling between the electrons and the correlation function of the pair amplitude calculated from the functional, and compare the results successfully with the electronic spectrum measured through angle resolved photoemission spectroscopy (ARPES). For the specific heat, vortex structure, and electron spectral density, only some of the final results are reported here; the details are presented in subsequent papers.

Results from PAMELA, ATIC and FERMI: Pulsars or dark matter?

It is well known that dark matter dominates the dynamics of galaxies and clusters of galaxies. Its constituents remain a mystery despite an assiduous search for them over the past three decades. Recent results from the satellite-based PAMELA experiment show an excess in the positron fraction at energies between 10 and 100 GeV in the secondary cosmic ray spectrum. Other experiments, namely ATIC, HESS and FERMI, show an excess in the total electron (e(+) + e(-)) spectrum for energies greater than 100 GeV. These excesses in the positron fraction as well as the electron spectrum can arise in local astrophysical processes like pulsars, or can be attributed to the annihilation of the dark matter particles. The latter possibility gives clues to the possible candidates for the dark matter in galaxies and other astrophysical systems. In this article, we give a report of these exciting developments.

Glass Transition in the Density Functional Theory of Freezing

A mean-field description of the glass transition in the hard-sphere system is obtained by numerically locating "glassy" minima of a model free-energy functional. These minima, characterized by inhomogeneous but aperiodic density distributions, appear as the average density is increased above the value at which equilibrium crystallization takes place. Investigations of the density distribution and local bond-orientational order at these minima yield results similar to those obtained from simulations.

Absolute Entropy and Energy of Carbon Dioxide Using the Two-Phase Thermodynamic Model

The two-phase thermodynamic (2PT) model is used to determine the absolute entropy and energy of carbon dioxide over a wide range of conditions from molecular dynamics trajectories. The 2PT method determines the thermodynamic properties by applying the proper statistical mechanical partition function to the normal modes of a fluid. The vibrational density of state (DoS), obtained from the Fourier transform of the velocity autocorrelation function, converges quickly, allowing the free energy, entropy, and other thermodynamic properties to be determined from short 20-ps MD trajectories. The anharmonic effects in the vibrations are accounted for by the broadening of the normal modes into bands from sampling the velocities over the trajectory. The low frequency diffusive modes, which lead to finite DoS at zero frequency, are accounted for by considering the DoS as a superposition of gas-phase and solid-phase components (two phases). The analytical decomposition of the DoS allows for an evaluation of properties contributed by different types of molecular motions. We show that this 2PT analysis leads to accurate predictions of entropy and energy of CO2 over a wide range of conditions (from the triple point to the critical point of both the vapor and the liquid phases along the saturation line). This allows the equation of state of CO2 to be determined, which is limited only by the accuracy of the force field. We also validated that the 2PT entropy agrees with that determined from thermodynamic integration, but 2PT requires only a fraction of the time. A complication for CO2 is that its equilibrium configuration is linear, which would have only two rotational modes, but during the dynamics it is never exactly linear, so that there is a third mode from rotational about the axis. In this work, we show how to treat such linear molecules in the 2PT framework.

Ab initio, DFT and transition state theory calculations on 1,2-HF, HCI and CIF elimination reactions from CH2F-CH2Cl

This paper reports ab intio, DFT and transition state theory (TST) calculations on HF, HCI and CIF elimination reactions from CH2Cl-CH2F molecule. Both the ground state and the transition state for HX elimination reactions have been optimized at HF, MP2 and DFT calculations with 6-31G*, 6-31G** and 6-311++G** basis sets. In addition, CCSD(T) single point calculations were carried out with MP2/6-311++G** optimized geometry for more accurate determination of the energies of the minima and transition state, compared to the other methods employed here. Classical barriers are converted to Arrhenius activation energy by TST calculations for comparisons with experimental results. The pre-exponential factors, A, calculated at all levels of theory are significantly larger than the experimental values. For activation energy, E-a DFT gives good results for HF elimination, within 4-8 W mol(-1) from experimental values. None of the methods employed, including CCSD(T), give comparable results for HCI elimination reactions. However, rate constants calculated by CCSD(T) method are in very good agreement with experiment for HCI elimination and they are in reasonable agreement for HF elimination reactions. Due to the strong correlation between A and E., the rate constants could be fit to a lower A and E-a (as given by experimental fitting, corresponding to a tight TS) or to larger A and E-a (as given by high level ab initio calculations, corresponding to a loose TS). The barrier for CIF elimination is determined to be 607 U mol(-1) at HF level and it is unlikely to be important for CH2FCH2Cl. Results for other CH2X-CH2Y (X,Y = F/Cl) are included for comparison.

Impact of Energy Expenditure Rate Constraints on the performance of Multihop Wireless Mesh Networks

In this article we study the problem of joint congestion control, routing and MAC layer scheduling in multi-hop wireless mesh network, where the nodes in the network are subjected to maximum energy expenditure rates. We model link contention in the wireless network using the contention graph and we model energy expenditure rate constraint of nodes using the energy expenditure rate matrix. We formulate the problem as an aggregate utility maximization problem and apply duality theory in order to decompose the problem into two sub-problems namely, network layer routing and congestion control problem and MAC layer scheduling problem. The source adjusts its rate based on the cost of the least cost path to the destination where the cost of the path includes not only the prices of the links in it but also the prices associated with the nodes on the path. The MAC layer scheduling of the links is carried out based on the prices of the links. We study the e�ects of energy expenditure rate constraints of the nodes on the optimal throughput of the network.

Distinguishing SUSY scenarios using tau polarisation and neutralino Dark Matter

We discuss rst a method of measuring polarisation at the ILC using the 1{prong hadronic decays of the . We then show in this contribution how a study of the ~sector and particularly use of decay polarisation can oer a very good handle for distinguishing between mSUGRA and a SUSY-GUTs scenario, both of which can give rise to appropriate Dark Matter.

Effect of pairing fluctuations on low-energy electronic spectra in cuprate superconductors

We describe here a minimal theory of tight-binding electrons moving on the square planar Cu lattice of the hole-doped cuprates and mixed quantum mechanically with their own Cooper pairs. The superconductivity occurring at the transition temperature T(c) is the long-range, d-wave symmetry phase coherence of these Cooper pairs. Fluctuations, necessarily associated with incipient long-range superconducting order, have a generic large-distance behavior near T(c). We calculate the spectral density of electrons coupled to such Cooper-pair fluctuations and show that features observed in angle resolved photoemission spectroscopy (ARPES) experiments on different cuprates above T(c) as a function of doping and temperature emerge naturally in this description. These include ``Fermi arcs'' with temperature-dependent length and an antinodal pseudogap, which fills up linearly as the temperature increases toward the pseudogap temperature. Our results agree quantitatively with experiment. Below T(c), the effects of nonzero superfluid density and thermal fluctuations are calculated and compared successfully with some recent ARPES experiments, especially the observed bending or deviation of the superconducting gap from the canonical d-wave form.

General classical theory of spinning particles in a meson field

An exact classical theory of the motion of a point dipole in a meson field is given which takes into account the effects of the reaction of the emitted meson field. The meson field is characterized by a constant $\chi =\mu /\hslash $ of the dimensions of a reciprocal length, $\mu $ being the meson mass, and as $\chi \rightarrow $ 0 the theory of this paper goes over continuously into the theory of the preceding paper for the motion of a spinning particle in a Maxwell field. The mass of the particle and the spin angular momentum are arbitrary mechanical constants. The field contributes a small finite addition to the mass, and a negative moment of inertia about an axis perpendicular to the spin axis. A cross-section (formula (88 a)) is given for the scattering of transversely polarized neutral mesons by the rotation of the spin of the neutron or proton which should be valid up to energies of 10$^{9}$ eV. For low energies E it agrees completely with the old quantum cross-section, having a dependence on energy proportional to p$^{4}$/E$^{2}$ (p being the meson momentum). At higher energies it deviates completely from the quantum cross-section, which it supersedes by taking into account the effects of radiation reaction on the rotation of the spin. The cross-section is a maximum at E $\sim $ 3$\cdot $5$\mu $, its value at this point being 3 $\times $ 10$^{-26}$ cm.$^{2}$, after which it decreases rapidly, becoming proportional to E$^{-2}$ at high energies. Thus the quantum theory of the interaction of neutrons with mesons goes wrong for E $\gtrsim $ 3$\mu $. The scattering of longitudinally polarized mesons is due to the translational but not the rotational motion of the dipole and is at least twenty thousand times smaller. With the assumption previously made by the present author that the heavy partilesc may exist in states of any integral charge, and in particular that protons of charge 2e and - e may occur in nature, the above results can be applied to charged mesons. Thus transversely polarised mesons should undergo a very big scattering and consequent absorption at energies near 3$\cdot $5$\mu $. Hence the energy spectrum of transversely polarized mesons should fall off rapidly for energies below about 3$\mu $. Scattering plays a relatively unimportant part in the absorption of longitudinally polarized mesons, and they are therefore much more penetrating. The theory does not lead to Heisenberg explosions and multiple processes.

On the two dimensional effective electron mass in quantum wells, inversion layers and NIPI superlattices of Kane type semiconductors in the presence of strong light waves: Simplified theory and relative comparison

An attempt is made to study the two dimensional (2D) effective electron mass (EEM) in quantum wells (Qws), inversion layers (ILs) and NIPI superlattices of Kane type semiconductors in the presence of strong external photoexcitation on the basis of a newly formulated electron dispersion laws within the framework of k.p. formalism. It has been found, taking InAs and InSb as examples, that the EEM in Qws, ILs and superlattices increases with increasing concentration, light intensity and wavelength of the incident light waves, respectively and the numerical magnitudes in each case is band structure dependent. The EEM in ILs is quantum number dependent exhibiting quantum jumps for specified values of the surface electric field and in NIPI superlattices; the same is the function of Fermi energy and the subband index characterizing such 2D structures. The appearance of the humps of the respective curves is due to the redistribution of the electrons among the quantized energy levels when the quantum numbers corresponding to the highest occupied level changes from one fixed value to the others. Although the EEM varies in various manners with all the variables as evident from all the curves, the rates of variations totally depend on the specific dispersion relation of the particular 2D structure. Under certain limiting conditions, all the results as derived in this paper get transformed into well known formulas of the EEM and the electron statistics in the absence of external photo-excitation and thus confirming the compatibility test. The results of this paper find three applications in the field of microstructures. (C) 2011 Elsevier Ltd. All rights reserved.

Free Energy Barriers for Escape of Water Molecules from Protein Hydration Layer

Free energy barriers separating interfacial water molecules from the hydration layer at the surface of a protein to the bulk are obtained by using the umbrella sampling method of free energy calculation. We consider hydration layer of chicken villin head piece (HP-36) which has been studied extensively by molecular dynamics simulations. The free energy calculations reveal a strong sensitivity to the secondary structure. In particular, we find a region near the junction of first and second helix that contains a cluster of water molecules which are slow in motion, characterized by long residence times (of the order of 100 ps or more) and separated by a large free energy barrier from the bulk water. However, these ``slow'' water molecules constitute only about 5-10% of the total number of hydration layer water molecules. Nevertheless, they play an important role in stabilizing the protein conformation. Water molecules near the third helix (which is the important helix for biological function) are enthalpically least stable and exhibit the fastest dynamics. Interestingly, barrier height distributions of interfacial water are quite broad for water surrounding all the three helices (and the three coils), with the smallest barriers found for those near the helix-3. For the quasi-bound water molecules near the first and second helices, we use well-known Kramers' theory to estimate the residence time from the free energy surface, by estimating the friction along the reaction coordinate from the diffusion coefficient by using Einstein relation. The agreement found is satisfactory. We discuss the possible biological function of these slow, quasi-bound (but transient) water molecules on the surface.

The inhomogeneous extended Bose-Hubbard model: A mean-field theory

We develop an inhomogeneous mean-field theory for the extended Bose-Hubbard model with a quadratic, confining potential. In the absence of this potential, our mean-field theory yields the phase diagram of the homogeneous extended Bose-Hubbard model. This phase diagram shows a superfluid (SF) phase and lobes of Mott-insulator (MI), density-wave (DW), and supersolid (SS) phases in the plane of the chemical potential mu and on-site repulsion U; we present phase diagrams for representative values of V, the repulsive energy for bosons on nearest-neighbor sites. We demonstrate that, when the confining potential is present, superfluid and density-wave order parameters are nonuniform; in particular, we obtain, for a few representative values of parameters, spherical shells of SF, MI, DW, and SS phases. We explore the implications of our study for experiments on cold-atom dipolar condensates in optical lattices in a confining potential.