Search results for "THERMODYNAMICS"
showing 10 items of 2774 documents
Generalized Geometric Quantum Speed Limits
2016
The attempt to gain a theoretical understanding of the concept of time in quantum mechanics has triggered significant progress towards the search for faster and more efficient quantum technologies. One of such advances consists in the interpretation of the time-energy uncertainty relations as lower bounds for the minimal evolution time between two distinguishable states of a quantum system, also known as quantum speed limits. We investigate how the non uniqueness of a bona fide measure of distinguishability defined on the quantum state space affects the quantum speed limits and can be exploited in order to derive improved bounds. Specifically, we establish an infinite family of quantum spee…
Local softening of information geometric indicators of chaos in statistical modeling in the presence of quantum-like considerations
2013
In a previous paper (C. Cafaro et al., 2012), we compared an uncorrelated 3D Gaussian statistical model to an uncorrelated 2D Gaussian statistical model obtained from the former model by introducing a constraint that resembles the quantum mechanical canonical minimum uncertainty relation. Analysis was completed by way of the information geometry and the entropic dynamics of each system. This analysis revealed that the chaoticity of the 2D Gaussian statistical model, quantified by means of the Information Geometric Entropy (IGE), is softened or weakened with respect to the chaoticity of the 3D Gaussian statistical model due to the accessibility of more information. In this companion work, we…
Fluctuation theorems for non-Markovian quantum processes
2013
Exploiting previous results on Markovian dynamics and fluctuation theorems, we study the consequences of memory effects on single realizations of nonequilibrium processes within an open system approach. The entropy production along single trajectories for forward and backward processes is obtained with the help of a recently proposed classical-like non-Markovian stochastic unravelling, which is demonstrated to lead to a correction of the standard entropic fluctuation theorem. This correction is interpreted as resulting from the interplay between the information extracted from the system through measurements and the flow of information from the environment to the open system: Due to memory e…
Extracting work from random collisions: A model of a quantum heat engine
2022
We study the statistical distribution of the ergotropy and of the efficiency of a single-qubit battery ad of a single-qubit Otto engine, respectively fuelled by random collisions. The single qubit, our working fluid, is assumed to exchange energy with two reservoirs, a non-equilibrium "hot" reservoir and a zero temperature cold reservoir. The interactions between the qubit and the reservoirs is described in terms of a collision model of open system dynamics. The qubit interacts with the non-equilibrium reservoir (a large ensemble of qudits all prepared in the same pure state) via random unitary collisions and with the cold reservoir (a large ensemble of qubits in their ground state) via a p…
Equilibrium Geometry of the Ethynyl (CCH) Radical
2004
The equilibrium geometry of the ethynyl (CCH) radical has been obtained using the results of high-level quantum chemical calculations and the available experimental data. In a purely quantum chemical approach, the best theoretical estimates (1.208 A for r C C and 1.061-1.063 A for r C H ) have been obtained from CCSD-(T), CCSDT, MR-AQCC, and full CI calculations with basis sets up to core-polarized pentuple-zeta quality. In a mixed theoretical-experimental approach, empirical equilibrium geometrical parameters (1.207 A for r C C and 1.069 A for r C H ) have been obtained from a least-squares fit to the experimental rotational constants of four isotopomers of CCH which have been corrected fo…
Monoamine Oxidase Inhibition by β-Carbolines: A Quantum Chemical Approach
1979
Monoamine oxidase inhibition by beta-carboline derivatives is related to the energy change, delta E, arising from complex formation between the inhibitor and the enzyme. The energy change was expressed in terms of electronic indexes, which were estimated for a set of aromatic beta-carbolines. The electronic indexes were correlated to the experimental activity indexes by a simplified quantum chemical perturbational treatment with a multiple regression procedure. A characteristic structure for the inhibitor-enzyme complex was derived from the correlation. The molecules are linked by two kinds of bond. One involves the lone pyridine nitrogen pair of beta-carbolines; the other is due to a pi-el…
The re Structure of Cyclopropane
2000
A long-standing controversy regarding the re structure of cyclopropane is resolved by performing high-level quantum chemical calculations and analyzing the experimental rotational constants for C3H6 and C3H4D2 augmented by calculated vibrational corrections. For the latter, a least-squares fit yields the following set of parameters: re (CC) = 1.5030(10) A, re(CH) = 1.0786(10) A, and αe(HCH) = 114.97(10)°, which compare favorably with both the pure computational result obtained at the CCSD(T)/cc-pVQZ level as well as an earlier estimate of the re structure of cyclopropane based on analysis of gas-phase electron diffraction data. Our results are in rather poor agreement with a structure base…
The Equilibrium Structure of Benzene
2000
The re structure of benzene is revised on the basis of high-level quantum chemical calculations at the CCSD(T)/cc-pVQZ level as well a reanalysis of the experimental rotational constants using computed vibrational corrections. A least-squares fit to empirically determined Be constants yields re(CC) = 1.3914 ± 0.0010 A and re(CH) = 1.0802 ± 0.0020 A; the latter distance is significantly shorter than the best previous estimate based on experimental data. Comparison of computed rg and rz distances with experiment as well as considerations of bond lengthening due to anharmonicity are consistent with the estimated re distance, indicating that the recommended structural parameters are very accura…
Modeling the Impact Parameter Dependence of the nPDFs With EKS98 and EPS09 Global Fits
2013
So far the nuclear PDFs (nPDFs) in the global DGLAP fits have been taken to be spatially independent. In this work, using the $A$-dependence of the globally fitted sets EPS09 and EKS98, we have determined the spatial dependence of the nPDFs in terms of powers of the nuclear thickness functions. New spatially dependent nPDF sets EPS09s (NLO, LO, error sets) and EKS98s (LO) are released. As an application, we consider the nuclear modification factor $R_{dAu}^{\pi^0}$ at midrapidity for neutral pion production in deuteron-gold collisions at RHIC in NLO. Comparison with the PHENIX data in different centrality classes is also shown. In addition, predictions for the corresponding nuclear modifica…
Non-Equilibrium Thermodynamics of Unsteady Superfluid Turbulence in Counterflow and Rotating Situations
2005
The methods of nonequilibrium thermodynamics are used in this paper to relate an evolution equation for the vortex line density $L$, describing superfluid turbulence in the simultaneous presence of counterflow and rotation, to an evolution equation for the superfluid velocity ${\mathbf{v}}_{s}$, in order to be able to describe the full evolution of ${\mathbf{v}}_{s}$ and $L$, instead of only $L$. Two alternative possibilities are analyzed, related to two possible alternative interpretations of a term coupling the effects of the counterflow and rotation on the vortex tangle, and which imply some differences between situations where counterflow and rotation vectors are parallel or orthogonal …