Optimization of nonatitanate electrodes for sodium-ion batteries
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99 GENERAL AND MISCELLANEOUS↗
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Results for “Function analysis”
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Temperature-dependent behavior in the local structure of BaTiO 3 nanocrystals
Here, we use pair distribution function analysis of synchrotron X-ray total scattering data to inspect the local structure of BaTiO 3 nanocrystals from 253 K < T < 413 K. The local structure consists of ca. r = 35 Å domains in which Ti 4+ displacements have the same coherence length as the overall perovskite structure.
36 MATERIALS SCIENCE↗
Local structure and ion storage properties of vanadate cathode materials regulated by the pre-alkalization
Aqueous Zn-ion batteries using mild acidic electrolytes utilizing a Zn 2+ /H + dual-ion storage mechanism have shown great potential in achieving high energy density comparable to non-aqueous lithium-ion batteries. Here, this study reveals that hydrated alkali-ions regulate the formation of alkali-intercalated vanadate layered compounds. Among various vanadate materials, lithium-intercalated vanadate has the largest interlayer spacing and most disordered local structure, exhibiting the largest storage capacity of 308 mA h g –1 at 0.05 A g –1 for Zn 2+ /H + dual-ion storage and improved charge transfer and transport kinetics and cycling performance, evidenced by in situ X-ray diffraction and ex situ X-ray total scattering and pair distribution function analysis. Our study provides new insight into designing layered vanadate materials for high-capacity aqueous batteries.
25 ENERGY STORAGE↗
Magnetic structures and excitations in sawtooth olivine chalcogenides Mn 2 SiX 4 (X = S, Se)
The Mn lattice in olivine chalcogenide Mn 2 SiX 4 (X = S, Se) compounds forms a sawtooth, which is of special interest in magnetism owing to the possibility of realizing flat bands in magnon spectra, a key component in magnonics. In this work, we investigate the Mn 2 SiX 4 olivines using magnetic susceptibility, and X-ray and neutron diffraction. We have determined the average and local crystal structures of Mn 2 SiS 4 and Mn 2 SiSe 4 using synchrotron X-ray, neutron diffraction, and X-ray total scattering data followed by Rietveld and pair distribution function analyses. It is found from the pair distribution function analysis that the Mn triangle that constitutes the sawtooth is isosceles in Mn 2 SiS 4 and Mn 2 SiSe 4 . The temperature evolution of magnetic susceptibility of Mn 2 SiS 4 and Mn 2 SiSe 4 shows anomalies below 83 K and 70 K, respectively, associated with magnetic ordering. From the neutron powder diffraction measurements the magnetic space groups of Mn 2 SiS 4 and Mn 2 SiSe 4 are found to be Pnma and Pnm'a', respectively. Here, we find that the Mn spins adopt a ferromagnetic alignment on the sawtooth in both Mn 2 SiS 4 and Mn 2 SiSe 4 but along different crystallographic directions for the S and the Se compounds. From the temperature evolution of Mn magnetic moments obtained from refining neutron diffraction data, the transition temperatures are accurately determined as T N (S) = 83(2) K and T N (Se) = 70.0(5) K. Broad diffuse magnetic peaks are observed in both the compounds, and are prominently seen close to T N , suggesting the presence of a short-range magnetic order. The magnetic excitations studied using inelastic neutron scattering reveal a magnon excitation with an energy corresponding to approximately 4.5 meV in both S and Se compounds. Spin correlations are observed to persist up to 125 K much above the ordering temperature and we suggest the possibility of short-range spin correlations responsible for this.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Complex defect chemistry of hydrothermally-synthesized Nb-substituted β$'$-LiVOPO 4
Lithium vanadyl phosphate (LiVOPO 4 ) is a next-generation multielectron battery cathode that can intercalate up to two Li-ions per V-ion through the redox couples of V 4+ /V 3+ and V 5+ /V 4+ . However, its rate capacity is undermined by the sluggish Li-ion diffusion in the high-voltage region (4 V for V 5+ /V 4+ redox). Nb substitution was used to expand the crystal lattice to facilitate Li-ion diffusion. Here, in this work, Nb substitution was achieved via hydrothermal synthesis, which resulted in a new, lower symmetry β'-LiVOPO 4 phase with preferential Nb occupation of one of the two V sites. This phase presents complex defect chemistries, including cation vacancies and hydrogen interstitials, characterized by a combination of X-ray and neutron diffraction, elemental and thermogravimetric analyses, X-ray absorption spectroscopy, and magnetic susceptibility measurements. The Nb-substituted samples demonstrated improved capacity retention and rate capabilities in the high-voltage region, albeit an enlarged voltage hysteresis related to a partial V 4+ /V 3+ redox reaction, as evidenced by ex situ X-ray absorption spectroscopy and pair distribution function analysis. This work highlights the importance of understanding the complex defect chemistry and its consequence on electrochemistry in polyanionic intercalation compounds.
36 MATERIALS SCIENCE↗
Structural incorporation into goethite fractionates rare earth elements
Up to 20% of rare earth elements (REEs) in ion adsorption deposits (IADs) are associated with iron oxide minerals, primarily goethite. Often termed “non-extractable”, goethite-hosted REEs are thought to be structurally incorporated into the mineral lattice. The large mismatch in size and charge density between REEs (ionic radius, r = 0.86–1.03 Å) and Fe 3+ (r = 0.65 Å), however, makes direct substitution energetically unfavorable. To determine REE compatibility with and incorporation into goethite on the atomic level, we used X-ray pair distribution function analysis (PDF) and LIII-edge extended X-ray absorption fine structure (EXAFS) spectroscopy. The compatibility of REEs with goethite and the precursor ferrihydrite (FH) is Lu ≥ Yb ≫ Dy > Nd for both phases. Nd and Dy primarily form secondary amorphous phases, with <30% Nd and Dy incorporated into goethite. In the FH precursor at pH 6.8, Yb and Lu assumed a local REE-OOH like structure with next nearest neighbor Fe. The Yb, Lu, and Nd-FH samples were also matured at ambient conditions for 100 days; despite the presence of only ∼5% goethite, Lu and Yb were 42% and 100% in goethite-like structural environments, respectively, whereas the PDF and EXAFS of Nd showed little evidence of any incorporation. Using ab initio molecular dynamics (AIMD) to model the EXAFS, we determined the presence of protonated Fe vacancies, edge-sharing with structural Lu and Yb, likely helped accommodate these REEs in the goethite structure. Incorporation into Fe oxyhydroxides thus potentially fractionates the REEs during weathering associated with formation of lateritic and ion adsorption deposits.
Mergelsberg, Sebastian T. [Pacific Northwest Natio↗
Solutions of nonlocal cosmological equations
A general class of gravitational models driven by a nonlocal scalar field with a linear or quadratic potential is considered. The Ostrogradski representation for nonlocal gravitational models and the way of its localization are proposed. We study the action with an arbitrary analytic function F({open_square}{sub g}), which has both simple and double roots. The way of localization allows to find solutions of nonlocal Einstein equations.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Nonlinear Dynamics of Mirror Instability Revisited
A nonlinear dynamics of the mirror modes near the instability threshold is revisited. It is shown that the major saturation is provided by modification of the velocity distribution function in the vicinity of small parallel ion velocities. The final relaxation scenario is based on almost resonant particle interaction with mirror modes. The saturated plasma state can be considered as a magnetic counterpart to electrostatic Bernstein-Greene-Kruskal modes. Our analytical model is verified by relevant numerical simulations. Test particle and PIC simulations indeed show that it is a modification of distribution function at small parallel velocities that results in fading away of free energy driving mirror mode. The physical similarity of the mirror and Weibel instabilities is demonstrated. The multipoint satellite measurements in space plasma can be used to validate a proposed scenario.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Closure of the hierarchy of fluid equations by means of the polytropic-coefficient function (PCF)
The continuity and momentum equations of a fluid plasma component may be viewed as four scalar evolution equations for the four scalar fluid variables n(x-vector,t)(density) and u(x-vector,t)(fluid velocity), which are zeroth- and first order velocity moments of the velocity distribution function (VDF). However, the momentum equation in addition contains the gradient of the pressure p(x-vector,t), which is a second-order velocity moment for which another equation, the 'closure equation', is needed. In the present work, closure by means of the polytropic-coefficient function (PCF) is discussed which, by analogy with the well-known polytropic coefficient (also called the 'polytropic index' or 'polytropic exponent') in macroscopic thermodynamic systems, is formally defined by {gamma}(x-vector,t) = (nDp/Dt)(pDn/Dt) = (n/p)(Dp/Dn), with D/Dt = {partial_derivative}/{partial_derivative}t+u-vector{center_dot}{partial_derivative}/{partial_derivative}x-vector, which amounts to the closure equation if {gamma}(x-vector,t) is known. In fluid problems, however, the PCF is usually unknown and hence must be assumed or guessed, but in kinetic problems it can be calculated exactly. These general concepts are first developed and then applied specifically to the basic Tonks-Langmuir (TL) model [L. Tonks and I. Langmuir, Phys. Rev. 34, 876, 1929]. It is shown for the first time that results obtained from the fluid equations closed with the correct PCF coincide with the corresponding results calculated on the basis of the exact kinetic solution [K.-U. Riemann, Phys. Plasmas 13, 063508 (2006)], but differ visibly from those obtained from the approximate fluid equations closed with the zero-pressure approximation [Riemann et al., Plasma Phys. Control. Fusion 47, 1949 (2005)]. Also, it is again confirmed that the correct PCF may be a strongly varying function of position, so that the simple constant values of {gamma} usually assumed [K.-U. Riemann, XXVIII International Conference on Phenomena in Ionized Gases, 479 (2007)] may lead to markedly erroneous results especially near material walls. All of these findings lead us to conclude that better approximations to the PCF are needed for closing fluid equations in an appropriate manner.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Further Evidence in Support of the Universal Nilpotent Grammatical Computational Paradigm of Quantum Physics
Further evidence is presented in favour of the computational paradigm, conceived and constructed by Rowlands and Diaz, as detailed in Rowlands' book Zero to Infinity (2007), and in particular the authors' paper 'The Grammatical Universe: the Laws of Thermodynamics and Quantum Entanglement'. The paradigm, which has isomorphic group and algebraic quantum mechanical language interpretations, not only predicts the well-established facts of quantum physics, the periodic table, chemistry / valence and of molecular biology, whose understanding it extends; it also provides an elegant, simple solution to the unresolved quantum measurement problem. In this fundamental paradigm, all the computational constructs / predictions that emerge, follow from the simple fact, that, as in quantum mechanics, the wave function is defined only up to an arbitrary fixed phase. This fixed phase provides a simple physical understanding of the quantum vacuum in quantum field theory, where only relative phases, known to be able to encode 3+1 relativistic space-time geometries, can be measured. It is the arbitrary fixed measurement standard, against which everything that follows is to be measured, even though the standard itself cannot be, since nothing exists against which to measure it. The standard, as an arbitrary fixed reference phase, functions as the holographic basis for a self-organized universal quantum process of emergent novel fermion states of matter where, following each emergence, the arbitrary standard is re-fixed anew so as to provide a complete history / holographic record or hologram of the current fixed past, advancing an unending irreversible evolution, such as is the evidence of our senses. The fermion states, in accord with the Pauli exclusion principle, each correspond to a unique nilpotent symbol in the infinite alphabet (which specifies the grammar in this nilpotent universal computational rewrite system (NUCRS) paradigm); and the alphabet, as Hill and Rowlands hypothesize on substantial evidence [26], includes that of the RNA / DNA genetic code and, as holographic phase encodings / holograms, the 4D geometries of all living systems as self-organised grammatical computational rewrite machines / machinery. Human brains, natural grammatical (written symbol) languages, 4D geometric self-awareness and a totally new emergent property of matter, human consciousness, can thus with some measure of confidence be postulated as further genetic consequences which follow from this self-organizing fundamental rewrite NUCRS construction. For it, like natural language, possesses a semantics and not just a syntax, where the initial symbol, i.e. the arbitrary fixed phase measurement standard, is able to function as the template for the blueprints of the emergent 4D relativistic real and virtual geometries to come, in a 'from the Self Creation to the creation of the human self' computational rewrite process evolution.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Six Impossible Things: Fractional Charge From Laughlin's Wave Function
The Laughlin's wave function is found to be the zero-energy ground state of a {delta}-function Hamiltonian. The finite negative value of the ground state energy which is 91 per cent of Wigner value, can be obtained only when Coulomb correlations are introduced. The Laughlin's wave function is of short range and it overlaps with that of the exact wave functions of small (number of electrons 2 or 5) systems. (i) It is impossible to obtain fractional charge from Laughlin's wave function. (ii) It is impossible to prove that the Laughlin's wave function gives the ground state of the Coulomb Hamiltonian. (iii) It is impossible to have particle-hole symmetry in the Laughlin's wave function. (iv) It is impossible to derive the value of m in the Laughlin's wave function. The value of m in {psi}{sub m} can not be proved to be 3 or 5. (v) It is impossible to prove that the Laughlin's state is incompressible because the compressible states are also likely. (vi) It is impossible for the Laughlin's wave function to have spin. This effort is directed to explain the experimental data of quantum Hall effect in GaAs/AlGaAs.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Heavy meson production in hot dense matter
The properties of charmed mesons in dense matter are studied using a unitary coupled-channel approach in the nuclear medium which takes into account Pauli-blocking effects and meson self-energies in a self-consistent manner. We obtain the open-charm meson spectral functions in this dense nuclear environment, and discuss their implications on hidden charm and charm scalar resonances and on the formation of D-mesic nuclei at FAIR energies.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Chiral symmetry and mesons in hot and dense matter: recent developments
We review recent results on properties of the meson gas relevant for Heavy Ion Collision and Nuclear Matter experiments, within the framework of chiral lagrangians. In particular, we describe the temperature and density evolution of the {sigma} and {rho} poles and its connection with chiral symmetry restoration, as well as the chemical nonequilibrated phase and transport coefficients.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Nucleon correlations and the equation of state of nuclear matter
The self-consistent Green's function method within the ladder approximation provides a microscopic description of correlated nuclear systems which properly treats the nucleon-nucleon correlations induced by the short-range and tensor components present in any realistic interaction. These correlations produce a sizable depletion of low momenta below the Fermi surface as well as the occupation of high momenta in the nuclear ground state. A few representative results for nuclear matter are presented to illustrate the present progress in the application of this method to nuclear systems.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Statistical Models of Power-law Distributions in Homogeneous Plasmas
A variety of in-situ measurements in space plasmas point out to an intermittent formation of distribution functions with elongated tails and power-law at high energies. Power-laws form ubiquitous signature of many complex systems, plasma being a good example of a non-Boltzmann behavior for distribution functions of energetic particles. Particles, which either undergo mutual collisions or are scattered in phase space by electromagnetic fluctuations, exhibit statistical properties, which are determined by the transition probability density function of a single interaction, while their non-asymptotic evolution may determine the observed high-energy populations. It is shown that relaxation of the Brownian motion assumptions leads to non-analytical characteristic functions and to generalization of the Fokker-Planck equation with fractional derivatives that result in power law solutions parameterized by the probability density function.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Analytical Proton Transfer Amplitude for Heavy Ion Induced Nuclear Reactions
Direct reactions between heavy ions have been studied widely using semi-classical theories. The Distorted Wave Born Approximation or DWBA has been extensively applied to analyse transfer reaction processes. Initial attempts to gain insights into the simple semi-classical parametrisation starting from the DWBA had focused mainly on neutron transfer reactions. An analytical formula for the semi-classical amplitude for the transfer of a single neutron between bound classical orbits states in heavy ion collisions that agrees well with the DWBA calculations has been successfully derived. In this paper, we have successfully derived the corresponding analytical expression for the proton transfer amplitude by using a technique analogous to the transfer of a single neutron between bound states. Our result reduces to the well known expression for the neutron transfer amplitude in the limit that the nuclear charge tends to zero.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Violation of fluctuation-dissipation theorem in the off-equilibrium dynamics of a system with non additive interactions
In this work we study the critical equilibrium properties and the off-equilibrium dynamics of an Ising system with non additive interactions. The traditional assumption of additivity is modified for one more general, where the energy of exchange J between two spins depends on their neighbourhood. First, for several non additive situations, we calculated the critical temperature T{sub c} by using paralell tempering Monte Carlo in the canonical assemble and standard finite-size scaling techniques. Then, we carry out a quench from infinite temperature to a low temperature below T{sub c}(off-equilibrium dynamics protocol) and we compute two-time correlation and response functions. We find a violation of fluctuation-dissipation theorem like coarsening systems. All this was done for several waiting time and several non additive situations. Finally, we analyze the scaling of correlation and response functions for a critical quench from infinite temperature.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Quantumness To Survive In An Evolutionary Environment
An outlined subquantum theory that might be considered a possible extension of Bohmian mechanics is further discussed. In this theory a fundamental physical system is modelled as a particle endowed with a methodological probabilistic classical Turing machine, which characterizes systems as data processing devices, making of information a crucial physical concept in the determination of the system dynamics. The main idea of this theory resides in proposing a Darwinian evolutionary mechanism - therefore based on natural selection - as the central element that would determine the emergence of quantum mechanics from an evolutionarily stable strategy (ESS) whose essentials are supposedly captured in three regulating principles. The Darwinian character of these regulating principles is explored.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗