Local structure of liquid carbon controls diamond nucleation

Diamonds melt at temperatures above 4000 K. There are no measurements of the steady-state rate of the reverse process: diamond nucleation from the melt, because experiments are difficult at these extreme temperatures and pressures. Using numerical simulations, we estimate the diamond nucleation rate and find that it increases by many orders of magnitude when the pressure is increased at constant supersaturation. The reason is that an increase in pressure changes the local coordination of carbon atoms from three-fold to four-fold. It turns out to be much easier to nucleate diamond in a four-fold coordinated liquid than in a liquid with three-fold coordination, because in the latter case the free-energy cost to create a diamond-liquid interface is higher. We speculate that this mechanism for nucleation control is relevant for crystallization in many network-forming liquids. On the basis of our calculations, we conclude that homogeneous diamond nucleation is likely in carbon-rich stars and unlikely in gaseous planets

Effects of hole-doping on the magnetic ground state and excitations in the edge-sharing CuO2_2 chains of Ca2+x_{2+x}Y2−x_{2-x}Cu5_5O10_{10}

Neutron scattering experiments were performed on the undoped and hole-doped Ca$_{2+x}$Y$_{2-x}$Cu$_5$O$_{10}$, which consists of ferromagnetic edge-sharing CuO$_2$ chains. It was previously reported that in the undoped Ca$_2$Y$_2$Cu$_5$O$_{10}$ there is an anomalous broadening of spin-wave excitations along the chain, which is caused mainly by the antiferromagnetic interchain interactions [Matsuda $et$ $al.$, Phys. Rev. B 63, 180403(R) (2001)]. A systematic study of temperature and hole concentration dependencies of the magnetic excitations shows that the magnetic excitations are softened and broadened with increasing temperature or doping holes irrespective of $Q$ direction. The broadening is larger at higher $Q$. A characteristic feature is that hole-doping is much more effective to broaden the excitations along the chain. It is also suggested that the intrachain interaction does not change so much with increasing temperature or doping although the anisotropic interaction and the interchain interaction are reduced. In the spin-glass phase ($x$=1.5) and nearly disordered phase ($x$=1.67) the magnetic excitations are much broadened in energy and $Q$. It is suggested that the spin-glass phase originates from the antiferromagnetic clusters, which are caused by the hole disproportionation.Comment: 8 pages, submitted to Phys. Rev.

On a Generalized Levinthal's Paradox: The Role of Long- and Short Range Interactions in Complex Bio-molecular Reactions, Including Protein and DNA Folding

The current protein folding literature is reviewed. Two main approaches to the problem of folding were selected for this review: geometrical and biophysical. The geometrical approach allows the formulation of topological restrictions on folding, that are usually not taken into account in the construction of physical models. In particular, the topological constraints do not allow the known funnel-like energy landscape modeling, although most common methods of resolving the paradox are based on this method. The very paradox is based on the fact that complex molecules must reach their native conformations (complexes that result from reactions) in an exponentially long time, which clearly contradicts the observed experimental data. In this respect we considered the complexity of the reactions between ligands and proteins. On this general basis, the folding-reaction paradox was reformulated and generalized. We conclude that prospects for solving the paradox should be associated with incorporating a topology aspect in biophysical models of protein folding, through the construction of hybrid models. However, such models should explicitly include long-range force fields and local cell biological conditions, such as structured water complexes and photon/phonon/soliton waves, ordered in discrete frequency bands. In this framework, collective and coherent oscillations in, and between, macromolecules are instrumental in inducing intra- and intercellular resonance, serving as an integral guiding network of life communication: the electrome aspect of the cell. Yet, to identify the actual mechanisms underlying the bonds between molecules (atoms), it will be necessary to perform dedicated experiments to more definitely solve the particular time paradox. © 2017 Elsevier Ltd.The present results were partially obtained in the frame of state task of Ministry of Education and Science of Russia 1.4539.2017/8.9

A note on the sign (unit root) ambiguities of Gauss sums in index 2 and 4 cases

Recently, the explicit evaluation of Gauss sums in the index 2 and 4 cases have been given in several papers (see [2,3,7,8]). In the course of evaluation, the sigh (or unit root) ambiguities are unavoidably occurred. This paper presents another method, different from [7] and [8], to determine the sigh (unit root) ambiguities of Gauss sums in the index 2 case, as well as the ones with odd order in the non-cyclic index 4 case. And we note that the method in this paper are more succinct and effective than [8] and [7]

Complete Solving for Explicit Evaluation of Gauss Sums in the Index 2 Case

Let $p$ be a prime number, $q=p^f$ for some positive integer $f$, $N$ be a positive integer such that $\gcd(N,p)=1$, and let \k be a primitive multiplicative character of order $N$ over finite field \fq. This paper studies the problem of explicit evaluation of Gauss sums in "\textsl{index 2 case}" (i.e. f=\f{\p(N)}{2}=[\zn:\pp], where \p(\cd) is Euler function). Firstly, the classification of the Gauss sums in index 2 case is presented. Then, the explicit evaluation of Gauss sums G(\k^\la) (1\laN-1) in index 2 case with order $N$ being general even integer (i.e. N=2^{r}\cd N_0 where $r,N_0$ are positive integers and $N_03$ is odd.) is obtained. Thus, the problem of explicit evaluation of Gauss sums in index 2 case is completely solved

Collisional and thermal ionization of sodium Rydberg atoms I. Experiment for nS and nD atoms with n=8-20

Collisional and thermal ionization of sodium nS and nD Rydberg atoms with n=8-20 has been studied. The experiments were performed using a two-step pulsed laser excitation in an effusive atomic beam at atom density of about 2 10^{10} cm^{-3}. Molecular and atomic ions from associative, Penning, and thermal ionization processes were detected. It has been found that the atomic ions were created mainly due to photoionization of Rydberg atoms by photons of blackbody radiation at the ambient temperature of 300K. Blackbody ionization rates and effective lifetimes of Rydberg states of interest were determined. The molecular ions were found to be from associative ionization in Na(nL)+Na(3S) collisions. Rate constants of associative ionization have been measured using an original method based on relative measurements of Na_{2}^{+} and Na^{+} ion signals.Comment: 23 pages, 10 figure

Single photon emitters based on Ni/Si related defects in single crystalline diamond

We present investigations on single Ni/Si related color centers produced via ion implantation into single crystalline type IIa CVD diamond. Testing different ion dose combinations we show that there is an upper limit for both the Ni and the Si dose 10^12/cm^2 and 10^10/cm^2 resp.) due to creation of excess fluorescent background. We demonstrate creation of Ni/Si related centers showing emission in the spectral range between 767nm and 775nm and narrow line-widths of 2nm FWHM at room temperature. Measurements of the intensity auto-correlation functions prove single-photon emission. The investigated color centers can be coarsely divided into two groups: Drawing from photon statistics and the degree of polarization in excitation and emission we find that some color centers behave as two-level, single-dipole systems whereas other centers exhibit three levels and contributions from two orthogonal dipoles. In addition, some color centers feature stable and bright emission with saturation count rates up to 78kcounts/s whereas others show fluctuating count rates and three-level blinking.Comment: 7 pages, submitted to Applied Physics B, revised versio

Features of Time-independent Wigner Functions

The Wigner phase-space distribution function provides the basis for Moyal's deformation quantization alternative to the more conventional Hilbert space and path integral quantizations. General features of time-independent Wigner functions are explored here, including the functional ("star") eigenvalue equations they satisfy; their projective orthogonality spectral properties; their Darboux ("supersymmetric") isospectral potential recursions; and their canonical transformations. These features are illustrated explicitly through simple solvable potentials: the harmonic oscillator, the linear potential, the Poeschl-Teller potential, and the Liouville potential.Comment: 18 pages, plain LaTex, References supplemente

Influence of polymer excluded volume on the phase behavior of colloid-polymer mixtures

We determine the depletion-induced phase-behavior of hard sphere colloids and interacting polymers by large-scale Monte Carlo simulations using very accurate coarse-graining techniques. A comparison with standard Asakura-Oosawa model theories and simulations shows that including excluded volume interactions between polymers leads to qualitative differences in the phase diagrams. These effects become increasingly important for larger relative polymer size. Our simulations results agree quantitatively with recent experiments.Comment: 5 pages, 4 figures submitted to Physical Review Letter

Two-Center Integrals for r_{ij}^{n} Polynomial Correlated Wave Functions

All integrals needed to evaluate the correlated wave functions with polynomial terms of inter-electronic distance are included. For this form of the wave function, the integrals needed can be expressed as a product of integrals involving at most four electrons