Search results for "dynamics"
showing 10 items of 9782 documents
Basic Notions of the Theory of Heat
2016
This chapter summarizes some basic notions of thermodynamics and defines the empirical variables which are needed for the description of thermodynamic systems in equilibrium. Empirical temperature and several scales used to measure temperature are defined. The so-called “zeroth law of thermodynamics” is formulated which says that systems which are in mutual equilibrium have the same temperature. Thermodynamic ensembles corresponding to different macroscopic boundary conditions are introduced and are illustrated by simple models such as the ideal gas. Also, entropy appears on the scene for a first time, both in its statistical and its thermodynamical interpretation. Gibb’s fundamental form i…
Rate Theory for Electrocatalytic Systems: Fixed Potential Formulation for General, Electron Transfer, and Proton-Coupled Electron Transfer Reactions
2019
Atomistic modeling of electrocatalytic reactions is most naturally conducted within the grand canonical ensemble (GCE) which enables fixed chemical potential calculations. While GCE has been widely adopted for modeling electrochemical and electrocatalytic thermodynamics, the electrochemical reaction rate theory within GCE is lacking. Molecular and condensed phase rate theories are formulated within microcanonical and canonical ensembles, respectively, but electrocatalytic systems described within the GCE require extension of the conventionally used rate theories for computation reaction rates at fixed electrode potentials. In this work, rate theories from (micro) canonical ensemble are gene…
Unified Rate Theory of Electrochemistry and Electrocatalysis: Fixed Potential Formulation for General, Electron Transfer, and Proton-Coupled Electron…
2019
Atomistic modeling of electrocatalytic reactions is most naturally conducted within the grand canonical ensemble (GCE) which enables fixed chemical potential calculations. While GCE has been widely adopted for modeling electrochemical and electrocatalytic thermodynamics, the electrochemical reaction rate theory within GCE is lacking. Molecular and condensed phase rate theories are formulated within microcanonical and canonical ensembles, respectively, but electrocatalytic systems described within the GCE require extension of the conventionally used rate theories for computation reaction rates at fixed electrode potentials. In this work, rate theories from (micro)canonical ensemble are gener…
Remote sensing of vegetation dynamics in agro-ecosystems using smap vegetation optical depth and optical vegetation indices
2017
The ESA's SMOS and the NASA's SMAP missions, launched in 2009 and 2015, respectively, are the first two missions having on-board L-band microwave sensors, which are very sensitive to the water content in soils and vegetation. Focusing on the vegetation signal at L-band, we have implemented an inversion approach for SMAP that allows deriving vegetation optical depth (VOD, a microwave parameter related to biomass and plant water content) alongside soil moisture, without reliance on ancillary optical information on vegetation. This work aims at using this new observational data to monitor the phenology of crops in major global agro-ecosystems and enhance present agricultural monitoring and pre…
Diurnal and Seasonal Solar Induced Chlorophyll Fluorescence and Photosynthesis in a Boreal Scots Pine Canopy
2019
Solar induced chlorophyll fluorescence has been shown to be increasingly an useful proxy for the estimation of gross primary productivity (GPP), at a range of spatial scales. Here, we explore the seasonality in a continuous time series of canopy solar induced fluorescence (hereafter SiF) and its relation to canopy gross primary production (GPP), canopy light use efficiency (LUE), and direct estimates of leaf level photochemical efficiency in an evergreen canopy. SiF was calculated using infilling in two bands from the incoming and reflected radiance using a pair of Ocean Optics USB2000+ spectrometers operated in a dual field of view mode, sampling at a 30 min time step using custom written …
Influence of Component Temperature Derivation from Dual Angle Thermal Infrared Observations on TSEB Flux Estimates Over an Irrigated Vineyard
2015
A two-source model for deriving surface energy fluxes and their soil and canopy components was evaluated using multi-angle airborne observations. In the original formulation (TSEB1), a single temperature observation, Priestley–Taylor parameterization and the vegetation fraction are used to derive the component fluxes. When temperature observations are made from different angles, soil and canopy temperatures can be extracted directly. Two dual angle model versions are compared versus TSEB1: one incorporating the Priestley–Taylor parameterization (TSEB2I) and one using the component temperatures directly (TSEB2D), for which data from airborne campaigns over an agricultural area in Spain are u…
Effects of temperature and pressure on microcantilever resonance response.
2003
Abstract The variation in resonance response of microcantilevers was investigated as a function of pressure (10 −2 –10 6 Pa) and temperature (290–390 K) in atmospheres of helium (He) and dry nitrogen (N 2 ). Our results for a silicon cantilever under vacuum show that the frequency varies in direct proportion to the temperature. The linear response is explained by the decrease in Young's modulus with increasing the temperature. However, when the cantilever is bimaterial, the response is nonlinear due to differential thermal expansion. Resonance response as a function of pressure shows three different regions, which correspond to molecular flow regime, transition regime, and viscous regime. …
Dynamic thermal expansivity near the glass transition
2000
Dielectric techniques were used to investigate the thermal expansivity of polystyrene films. Capacitive scanning dilatometry (CSD) employs temperature ramping in order to monitor the non-linear structural relaxation in the glass transformation range and to quantify liquid fragility. In the linear response regime, the complex thermal expansivity is obtained as a function of the temperature cycling frequency and is observed to reflect the structural relaxation.
Cavitation of electron bubbles in liquid parahydrogen
2011
Within a finite-temperature density functional approach, we have investigated the structure of electron bubbles in liquid parahydrogen below the saturated vapour pressure, determining the critical pressure at which electron bubbles explode as a function of temperature. The electron-parahydrogen interaction has been modelled by a Hartree-type local potential fitted to the experimental value of the conduction band-edge for a delocalized electron in pH(2). We have found that the pressure for bubble explosion is, in absolute value, about a factor of two smaller than that of the homogeneous cavitation pressure in the liquid. Comparison with the results obtained within the capillary model shows t…
Pore Size Analysis of MCM-41 Type Adsorbents by Means of Nitrogen and Argon Adsorption
1998
Methods of nonlocal density functional theory (NLDFT), proposed recently for predictions of adsorption equilibrium and calculations of pore size distributions in micro- and mesoporous materials, were tested on reference MCM-41 materials. Five newly synthesized MCM-41 adsorbents with presumably uniform pore channels varying from 32 to 45 Å were characterized by X-ray diffraction (XRD), nitrogen adsorption at 77 K, and argon adsorption at 77 and 87 K. New sets of intermolecular interaction parameters of the NLDFT model for N2 and Ar adsorption on MCM-41 were determined. The parameters were specified to reproduce the bulk liquid-gas equilibrium densities and pressures, liquid-gas interfacial t…