586 research outputs found
A review of metrology in lithium-ion electrode coating processes
Lithium-ion battery electrode design and manufacture is a multi-faceted process where the link between underlying physical processes and manufacturing outputs is not yet fully understood. This is in part due to the many parameters and variables involved and the lack of complete data sets under different processing conditions. The slurry coating step has significant implications for electrode design and advanced metrology offers opportunities to improve understanding and control at this stage. Here, metrology options for slurry coating are reviewed as well as opportunities for in-line integration, discussing the benefits of combining advanced metrology to provide comprehensive characterisation, improve understanding and feed into predictive design models. There is a comprehensive range of metrology which needs little improvement to provide the relevant quantifiable measures during coating, with one exception of particle sizing, where more precise, in-line measurement would be beneficial. However, there is a lack of studies that bring together the latest advancements in electrode coating metrology which is crucial to understanding the interdependency of myriad processing and product parameters. This review highlights the need for a comprehensive metrological picture whose value would be much greater than the sum of its parts for the next generation of multiphysics and data-driven models
On the verge of Umdeutung in Minnesota: Van Vleck and the correspondence principle (Part One)
In October 1924, the Physical Review, a relatively minor journal at the time,
published a remarkable two-part paper by John H. Van Vleck, working in virtual
isolation at the University of Minnesota. Van Vleck combined advanced
techniques of classical mechanics with Bohr's correspondence principle and
Einstein's quantum theory of radiation to find quantum analogues of classical
expressions for the emission, absorption, and dispersion of radiation. For
modern readers Van Vleck's paper is much easier to follow than the famous paper
by Kramers and Heisenberg on dispersion theory, which covers similar terrain
and is widely credited to have led directly to Heisenberg's "Umdeutung" paper.
This makes Van Vleck's paper extremely valuable for the reconstruction of the
genesis of matrix mechanics. It also makes it tempting to ask why Van Vleck did
not take the next step and develop matrix mechanics himself.Comment: 82 page
Majorana solutions to the two-electron problem
A review of the known different methods and results devised to study the
two-electron atom problem, appeared in the early years of quantum mechanics, is
given, with particular reference to the calculations of the ground state energy
of helium. This is supplemented by several, unpublished results obtained around
the same years by Ettore Majorana, which results did not convey in his
published papers on the argument, and thus remained unknown until now.
Particularly interesting, even for current research in atomic and nuclear
physics, is a general variant of the variational method, developed by Majorana
in order to take directly into account, already in the trial wavefunction, the
action of the full Hamiltonian operator of a given quantum system. Moreover,
notable calculations specialized to the study of the two-electron problem show
the introduction of the remarkable concept of an effective nuclear charge
different for the two electrons (thus generalizing previous known results), and
an application of the perturbative method, where the atomic number Z was
treated effectively as a continuous variable, contributions to the ground state
energy of an atom with given Z coming also from any other Z. Instead,
contributions relevant mainly for pedagogical reasons count simple broad range
estimates of the helium ionization potential, obtained by suitable choices for
the wavefunction, as well as a simple alternative to Hylleraas' method, which
led Majorana to first order calculations comparable in accuracy with well-known
order 11 results derived, in turn, by Hylleraas.Comment: amsart, 20 pages, no figure
Crystal Structures and Electronic Properties of Haloform-Intercalated C60
Using density functional methods we calculated structural and electronic
properties of bulk chloroform and bromoform intercalated C60, C60 2CHX3
(X=Cl,Br). Both compounds are narrow band insulator materials with a gap
between valence and conduction bands larger than 1 eV. The calculated widths of
the valence and conduction bands are 0.4-0.6 eV and 0.3-0.4 eV, respectively.
The orbitals of the haloform molecules overlap with the orbitals of the
fullerene molecules and the p-type orbitals of halogen atoms significantly
contribute to the valence and conduction bands of C60 2CHX3. Charging with
electrons and holes turns the systems to metals. Contrary to expectation, 10 to
20 % of the charge is on the haloform molecules and is thus not completely
localized on the fullerene molecules. Calculations on different crystal
structures of C60 2CHCl3 and C60 2CHBr3 revealed that the density of states at
the Fermi energy are sensitive to the orientation of the haloform and C60
molecules. At a charging of three holes, which corresponds to the
superconducting phase of pure C60 and C60 2CHX3, the calculated density of
states (DOS) at the Fermi energy increases in the sequence DOS(C60) < DOS(C60
2CHCl3) < DOS(C60 2CHBr3).Comment: 11 pages, 7 figures, 4 table
Itinerant Ferromagnetism in the Periodic Anderson Model
We introduce a novel mechanism for itinerant ferromagnetism, based on a
simple two-band model. The model includes an uncorrelated and dispersive band
hybridized with a second band which is narrow and correlated. The simplest
Hamiltonian containing these ingredients is the Periodic Anderson Model (PAM).
Using quantum Monte Carlo and analytical methods, we show that the PAM and an
extension of it contain the new mechanism and exhibit a non-saturated
ferromagnetic ground state in the intermediate valence regime. We propose that
the mechanism, which does not assume an intra atomic Hund's coupling, is
present in both the iron group and in some f electron compounds like
Ce(Rh_{1-x} Ru_x)_3 B_2, La_x Ce_{1-x} Rh_3 B_2 and the uranium
monochalcogenides US, USe, and UTe
Consumption caught in the cash nexus.
During the last thirty years, ‘consumption’ has become a major topic in the study of contemporary culture within anthropology, psychology and sociology. For many authors it has become central to understanding the nature of material culture in the modern world but this paper argues that the concept is, in British writing at least, too concerned with its economic origins in the selling and buying of consumer goods or commodities. It is argued that to understand material culture as determined through the monetary exchange for things - the cash nexus - leads to an inadequate sociological understanding of the social relations with objects. The work of Jean Baudrillard is used both to critique the concept of consumption as it leads to a focus on advertising, choice, money and shopping and to point to a more sociologically adequate approach to material culture that explores objects in a system of models and series, ‘atmosphere’, functionality, biography, interaction and mediation
Unscreened Hartree-Fock calculations for metallic Fe, Co, Ni, and Cu from ab-initio Hamiltonians
Unscreened Hartree-Fock approximation (HFA) calculations for metallic Fe, Co,
Ni, and Cu are presented, by using a quantum-chemical approach. We believe that
these are the first HFA results to have been done for crystalline 3d transition
metals. Our approach uses a linearized muffin-tin orbital calculation to
determine Bloch functions for the Hartree one-particle Hamiltonian, and from
these obtains maximally localized Wannier functions, using a method proposed by
Marzari and Vanderbilt. Within this Wannier basis all relevant one-particle and
two-particle Coulomb matrix elements are calculated. The resulting
second-quantized multi-band Hamiltonian with ab-initio parameters is studied
within the simplest many-body approximation, namely the unscreened,
self-consistent HFA, which takes into account exact exchange and is free of
self-interactions. Although the d-bands sit considerably lower within HFA than
within the local (spin) density approximation L(S)DA, the exchange splitting
and magnetic moments for ferromagnetic Fe, Co, and Ni are only slightly larger
in HFA than what is obtained either experimentally or within LSDA. The HFA
total energies are lower than the corresponding LSDA calculations. We believe
that this same approach can be easily extended to include more sophisticated
ab-initio many-body treatments of the electronic structure of solids.Comment: 11 papes, 7 figures, 5 table
Gutzwiller-Correlated Wave Functions: Application to Ferromagnetic Nickel
Ferromagnetic Nickel is the most celebrated iron group metal with pronounced
discrepancies between the experimental electronic properties and predictions of
density functional theories. In this work, we show in detail that the recently
developed multi-band Gutzwiller theory provides a very good description of the
quasi-particle band structure of nickel. We obtain the correct exchange
splittings and we reproduce the experimental Fermi-surface topology. The
correct (111)-direction of the magnetic easy axis and the right order of
magnitude of the magnetic anisotropy are found. Our theory also reproduces the
experimentally observed change of the Fermi-surface topology when the magnetic
moment is oriented along the (001)-axis. In addition to the numerical study, we
give an analytical derivation for a much larger class of variational
wave-functions than in previous investigations. In particular, we cover cases
of superconductivity in multi-band lattice systems.Comment: 35 pages, 3 figure
An Effective-Medium Tight-Binding Model for Silicon
A new method for calculating the total energy of Si systems is presented. The
method is based on the effective-medium theory concept of a reference system.
Instead of calculating the energy of an atom in the system of interest a
reference system is introduced where the local surroundings are similar. The
energy of the reference system can be calculated selfconsistently once and for
all while the energy difference to the reference system can be obtained
approximately. We propose to calculate it using the tight-binding LMTO scheme
with the Atomic-Sphere Approximation(ASA) for the potential, and by using the
ASA with charge-conserving spheres we are able to treat open system without
introducing empty spheres. All steps in the calculational method is {\em ab
initio} in the sense that all quantities entering are calculated from first
principles without any fitting to experiment. A complete and detailed
description of the method is given together with test calculations of the
energies of phonons, elastic constants, different structures, surfaces and
surface reconstructions. We compare the results to calculations using an
empirical tight-binding scheme.Comment: 26 pages (11 uuencoded Postscript figures appended), LaTeX,
CAMP-090594-
Measurements of Direct CP Violation, CPT Symmetry, and Other Parameters in the Neutral Kaon System
We present a series of measurements based on K -> pi+pi- and K -> pi0pi0
decays collected in 1996-1997 by the KTeV experiment (E832) at Fermilab. We
compare these four K -> pipi decay rates to measure the direct CP violation
parameter Re(e'/e) = (20.7 +- 2.8) x 10^-4. We also test CPT symmetry by
measuring the relative phase between the CP violating and CP conserving decay
amplitudes for K->pi+pi- (phi+-) and for K -> pi0pi0 (phi00). We find the
difference between the relative phases to be Delta-phi = phi00 - phi+- = (+0.39
+- 0.50) degrees and the deviation of phi+- from the superweak phase to be
phi+- - phi_SW =(+0.61 +- 1.19) degrees; both results are consistent with CPT
symmetry. In addition, we present new measurements of the KL-KS mass difference
and KS lifetime: Delta-m = (5261 +- 15) x 10^6 hbar/s and tauS = (89.65 +-
0.07) x 10^-12 s.Comment: Submitted to Phys. Rev. D, August 6, 2002; 37 pages, 32 figure
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