5,502 research outputs found
Entropy and Temperature of a Quantum Carnot Engine
It is possible to extract work from a quantum-mechanical system whose
dynamics is governed by a time-dependent cyclic Hamiltonian. An energy bath is
required to operate such a quantum engine in place of the heat bath used to run
a conventional classical thermodynamic heat engine. The effect of the energy
bath is to maintain the expectation value of the system Hamiltonian during an
isoenergetic expansion. It is shown that the existence of such a bath leads to
equilibrium quantum states that maximise the von Neumann entropy. Quantum
analogues of certain thermodynamic relations are obtained that allow one to
define the temperature of the energy bath.Comment: 4 pages, 1 figur
Automatic Generation of Matrix Element Derivatives for Tight Binding Models
Tight binding (TB) models are one approach to the quantum mechanical many
particle problem. An important role in TB models is played by hopping and
overlap matrix elements between the orbitals on two atoms, which of course
depend on the relative positions of the atoms involved. This dependence can be
expressed with the help of Slater-Koster parameters, which are usually taken
from tables. Recently, a way to generate these tables automatically was
published. If TB approaches are applied to simulations of the dynamics of a
system, also derivatives of matrix elements can appear. In this work we give
general expressions for first and second derivatives of such matrix elements.
Implemented in a computer program they obviate the need to type all the
required derivatives of all occuring matrix elements by hand.Comment: 11 pages, 2 figure
Human performance prediction in man-machine systems. Volume 1 - A technical review
Tests and test techniques for human performance prediction in man-machine systems task
Human performance prediction in man-machine systems. Part 2 - The test catalog
Human performance prediction in man machine systems - test catalog table
Magnetic and electronic Co states in layered cobaltate GdBaCo2O5.5-x
We have performed non-resonant x-ray diffraction, resonant soft and hard
x-ray magnetic diffraction, soft x-ray absorption and x-ray magnetic circular
dichroism measurements to clarify the electronic and magnetic states of the
Co3+ ions in GdBaCo2O5.5. Our data are consistent with a 3+ Py Co HS state at
the pyramidal sites and a 3+ Oc Co LS state at the octahedral sites. The
structural distortion, with a doubling of the a axis (2ap x 2ap x 2ap cell),
shows alternating elongations and contractions of the pyramids and indicates
that the metal-insulator transition is associated with orbital order in the t2g
orbitals of the 3+ Py Co HS state. This distortion corresponds to an
alternating ordering of xz and yz orbitals along the a and c axes for the 3+ Py
Co . The orbital ordering and pyramidal distortion lead to deformation of the
octahedra, but the 3+ Oc Co LS state does not allow an orbital order to occur
for the 3+ Oc Co ions. The soft x-ray magnetic diffraction results indicate
that the magnetic moments are aligned in the ab plane but are not parallel to
the crystallographic a or b axes. The orbital order and the doubling of the
magnetic unit cell along the c axis support a non-collinear magnetic structure.
The x-ray magnetic circular dichroism data indicate that there is a large
orbital magnetic contribution to the total ordered Co moment
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