OH/D A2sigma(+)-X2pi(i) rovibronic transitions in multibubble sonoluminescence

Multibubble sonoluminescence spectra were recorded in the 300-350 nm wavelength range in the case of H(2)O/Ar, D(2)O/Ar and H(2)O/Kr solutions (acoustic frequency: 20 kHz; spectral resolution optimized to 0.34 nm). Three groups of rotational components (R(1)/R(2), Q(1)/Q(2) and P(1)/P(2)) were identified in the OH/D A2sigma(+)-X2pi(i) (0,0) transitions via the substitution of H(2)O for D(2)O. The congestion of bands and the origin of a red shading extending up to 350 nm are broached.     

The spin dynamics of the random transverse Ising chain with a double-Gaussian disorder

The dynamical properties of one-dimensional random transverse Ising model （RTIM） with a double-Gaussian disorder is investigated by the recursion method. Based on the first twelve recurrences derived analytically, the spin autocorrelation function （SAF） and associated spectral density at high temperature were obtained numerically. Our results indicate that when the standard deviation σg （or OrB） of the exchange couplings Ji （or the random transverse fields Bi） is small, no long-time tail appears in the SAE The spin system undergoes a crossover from a central-peak behavior to a collectivemode behavior, which is the dynamical characteristics of RTIM with the bimodal disorder. However, when σJ （or σB） is large enough, the system exhibits similar dynamics behaviors to those of the RTIM with the Gaussian disorder, i.e., the system exhibits an enhanced central-peak behavior for large σJ or a disordered behavior for large σB. In this instance, SAFs exhibit a similar long-time tail, i.e., C（t） ~ t ^-2 for large t. Similar properties are obtained when Ji （or Bi） satisfy the double-exponential distribution or the double-uniform distribution. Besides, when both the standard deviations and the mean values of the exchange couplings are small, the effects of the Gaussian random bonds may drive the system undergo two crossovers from a triplet state to a doublet state, and then to a collective-mode state.     

Yang-Lee zeros of the antiferromagnetic Ising model

There exists the famous circle theorem on the Yang-Lee zeros of the ferromagnetic Ising model. However, the Yang-Lee zeros of the antiferromagnetic Ising model are much less well understood than those of the ferromagnetic model. The precise distribution of the Yang-Lee zeros of the antiferromagnetic Ising model only with nearest-neighbor interaction J on LxL square lattices is determined as a function of temperature a=e(2betaJ) (J<0), and its relation to the phase transitions is investigated. In the thermodynamic limit (L-->infinity), the distribution of the Yang-Lee zeros of the antiferromagnetic Ising model cuts the positive real axis in the complex x=e(-2betaH) plane, resulting in the critical magnetic field +/-H(c)(a), where H(c)>0 below the critical temperature a(c)=square root of 2-1. The results suggest that the value of the scaling exponent y(h) is 1 along the critical line for a相似文献   

Sharp spectral lines observed in gamma-ray ionized parahydrogen crystals

We have observed sharp infrared spectral lines ( Deltanu approximately 60 MHz FWHM) in gamma-ray ionized para- H2 crystals. The lines are assigned to the Q1(0) transition of H2 near H+3 and H-, which becomes optically active and Stark shifted by the Coulomb fields of the ions. A simple model calculation gives a spectrum which agrees approximately with the observation. The spectrum stays the same over many days, demonstrating the stability of the ionized system. The remarkable sharpness and reproducibility of the line positions indicate uniformity of the local structure surrounding the charges.     

H12C14N分子v2垂直带的高温谱线强度及随温度的变化规律

采用乘积近似法计算了氰化氢分子H12C14N的总配分函数,其中转动配分函数考虑了离心扭曲修正,振动配分函数采用谐振子近似.利用计算所得配分函数和文献提供的实验振动跃迁矩平方及HermanWallis因子系数,计算了氰化氢分子H12C14Nv2垂直带,即0110-0000跃迁在常温和高温下的线强度,并与HITRAN数据库的数据进行了比较.结果显示,在296 K及温度高达3 000 K时,计算所得谱线强度与HI-TRAN数据库提供的结果均符合较好.表明对氰化氢分子H12C14N高温下的分子配分函数和线强度的计算是可靠的.进一步计算了0110-0000跃迁带在更高温度4 000和5 000 K的线强度及模拟光谱,并总结了该跃迁带中的谱线强度随温度的变化规律:对于转动量子数J≥32的跃迁谱线(包括P支、Q支和R支),当温度从296.K逐渐增加时,其线强度迅速增加,到1 000 K附近达到最大值,然后迅速减弱.对于转动量子数J<32的跃迁谱线(同样包括P支、Q支和R支),线强度在296 K时最大,然后随温度的升高迅速减弱.     

Charge and substituent effects on the stability of porphyrin/G-quadruplex adducts

The adduct ions of two tetramolecular G-quadruplexes formed from the d(TGGGGT) and d(TTGGGGGT) single strands with a group of cationic porphyrins, with different charges and substituents, and one neutral porphyrin, were investigated by ESI-MS and ESI-MS/MS in the negative ion mode. Formation of [Q + nNH(4)(+)+P(p+)-(z + n + p)H(+)](z-) adduct ions (where Q = quadruplex, n = number of quartets minus 1, P = porphyrin and p(+) = 0,1,2,3,4) indicates that the porphyrins are bound outside the quadruplexes providing an additional stabilization to those structures. The fragmentation pathways of the [Q + nNH(4)(+)+P(p+)-(z + n + p)H(+)](z-) adduct ions depend on the number of positive charges (p(+)) of the porphyrins and on the overall complex charge (z(-)), but do not show a significant dependence on the type of the substituent groups in the porphyrins. Formation of the 'unfilled' ions [Q + P(p+)-(z + p)H(+)](z-) predominates for porphyrins with a higher number of positive charges. Strand separation with the formation of [T + P(p+)-(z-2 + p)H(+)]((z-2)-) and (SS-2H(+))(2-) ions, where T = [d(TG(4)T)](3) and [d(T(2)G(5)T)](3) and SS = d(TG(4)T) and d(T(2)G(5)T) is only observed for the complexes with a higher overall negative charge. Porphyrin loss with the formation of [Q + nNH(4)(+)-(z + n)H(+)](z-) ions occurs predominantly for the neutral and monocharged porphyrins. The predominant formation of the 'unfilled' ions, [Q + P(p+)-(z + n)H(+)](z-), for porphyrins with a higher number of charges shows that these porphyrins can prevent strand separation and preserve, at least partially, the quadruplex structure.     

Universality class of criticality in the restricted primitive model electrolyte

The 1:1 equisized hard-sphere electrolyte or restricted primitive model has been simulated via grand-canonical fine-discretization Monte Carlo. Newly devised unbiased finite-size extrapolation methods using loci in the temperature-density or (T,rho) plane of isothermal rho(2-k) vs pressure inflections, of Q identical with(2)/ maxima, and of canonical and C(V) criticality, yield estimates of (T(c),rho(c)) to +/-(0.04,3)%. Extrapolated exponents and Q ratio are (gamma,nu,Q(c)) = [1.24(3), 0.63(3); 0.624(2)], which support Ising (n = 1) behavior with (1.23(9), 0.630(3); 0.623(6)), but exclude classical, XY (n = 2), self-avoiding walk (n = 0), and n = 1 criticality with potentials varphi(r)>Phi/r(4.9) when r-->infinity.     

Nature of ergodicity breaking in ising spin glasses as revealed by correlation function spectral properties

In this Letter we address the nature of broken ergodicity in the low temperature phase of Ising spin glasses by examining spectral properties of spin correlation functions C(ij) identical with. We argue that more than one extensive [i.e., O(N)] eigenvalue in this matrix signals replica symmetry breaking. Monte Carlo simulations of the infinite-range Ising spin-glass model, above and below the Almeida-Thouless line, support this conclusion. Exchange Monte Carlo simulations for the short-range model in four dimensions find a single extensive eigenvalue and a large subdominant eigenvalue consistent with droplet model expectations.     

Momentum distributions in fragmentation reactions with relativistic heavy ions

The momentum distribution (or angular distribution) in inelastic heavy ion reactions is calculated by using a two-step model (abrasion and ablation). First, all nucleons in the volume element where projectile and target overlap spatially during the collision are sheared away. The remaining prefragment (the projectile minus the sheared off nucleons) has a recoil momentum proportional to the Fermi momentum. The prefragment is left in an excited state and emits nucleons, the recoil momentum given to the final fragment is proportional to the nuclear temperature. This two-step model reproduces the overall trend and the isotopic dependence for the widths of the experimental momentum distributions. Contrary to previous theoretical studies we find that surface and friction phenomena lead to an anisotropy: The momentum distributions in transverse direction are always broader than in the longitudinal direction by about 5 to 10%.     

Coherent NMR Stark spectroscopy

We demonstrate phase-coherent Stark effects from a radiofrequency E field at twice the NMR frequency (2ω(0)) of (69)Ga in GaAs. The 2ω(0) phase (?(E)) selects component responses from the nuclear quadrupole Hamiltonian (H(Q)). This is possible by synchronizing few-μs 2ω(0) pulses with an NMR line-narrowing sequence, which averages the Stark interaction to dominate spectra on a background with 10(3)× enhanced resolution. Spectra vs ?(E) reveal relative sizes of tensorial factors in H(Q). Comparative modeling and numerical simulations evaluate spectral features unexplained by average Hamiltonian theory, and suggest improvements for quantitative calibration of individual response components. Application of this approach to bulk samples is of value to define Stark responses that may later be used to interrogate the internal electrostatics of structured samples.     

On the thermodynamics of the random one-dimensional Ising chain in a transverse field

For three simple one-dimensional disordered models: (a) the Ising chain with random magnetic moments in a transverse field, (b) the Ising chain with random coupling constants in a transverse field, and (c) the X-Y model with a special type of disorder, the asymptotic equivalence in the thermodynamic limit is proved and some of its consequences are discussed. The spectral density of the finite chain for the model (a) is calculated by Dean's method for several representative cases and the presence of the local modes is indicated. The expressions for the initial susceptibilities for the models (a) and (b) are reviewed and (in two cases) the derivations are simplified.     

Stabilization of a steady state in oscillators coupled by a digital delayed connection

We propose the mapping of polynomial of degree 2S constructed as a linear combination of powers of spin-S (for simplicity, we called as spin-S polynomial) onto spin-crossover state. The spin-S polynomial in general can be projected onto non-symmetric degenerated spin up (high-spin) and spin down (low-spin) momenta. The total number of mapping for each general spin-S is given by 2(2^2S ? 1). As an application of this mapping, we consider a general non-bilinear spin-S Ising model which can be transformed onto spin-crossover described by Wajnflasz model. Using a further transformation we obtain the partition function of the effective spin-1/2 Ising model, making a suitable mapping the non-symmetric contribution leads us to a spin-1/2 Ising model with a fixed external magnetic field, which in general cannot be solved exactly. However, for a particular case of non-bilinear spin-S Ising model could become equivalent to an exactly solvable Ising model. The transformed Ising model exhibits a residual entropy, then it should be understood also as a frustrated spin model, due to competing parameters coupling of the non-bilinear spin-S Ising model.     

Metastable states and T=0 hysteresis in the random-field Ising model on random graphs

We study the ferromagnetic random-field Ising model on random graphs of fixed connectivity z (Bethe lattice) in the presence of an external magnetic field H. We compute the number of single-spin-flip stable configurations with a given magnetization m and study the connection between the distribution of these metastable states in the H-m plane (focusing on the region where the number is exponentially large) and the shape of the saturation hysteresis loop obtained by cycling the field between - and + at T=0. The annealed complexity A(m,H) is calculated for z=2,3,4 and the quenched complexity Q(m,H) for z=2. We prove explicitly for z=2 that the contour Q(m,H)=0 coincides with the saturation loop. On the other hand, we show that A(m,H) is irrelevant for describing, even qualitatively, the observable hysteresis properties of the system.     

New ordered phases in a class of generalized XY models

It is well known that the 2D XY model exhibits an unusual infinite order phase transition belonging to the Kosterlitz-Thouless (KT) universality class. Introduction of a nematic coupling into the XY Hamiltonian leads to an additional phase transition in the Ising universality class [D. H. Lee and G. Grinstein, Phys. Rev. Lett. 55, 541 (1985)]. Using a combination of extensive Monte Carlo simulations and finite size scaling, we show that the higher order harmonics lead to a qualitatively different phase diagram, with additional ordered phases originating from the competition between the ferromagnetic and pseudonematic couplings. The new phase transitions belong to the 2D Potts, Ising, or KT universality classes.     

The spectral density approach to the Ising model in transverse field

The spectrum of the spin $\text{1}\text{2}$ Ising model in transverse field is investigated with the help of the spectral density method. The close agreement with the one-dimensional exact result and that of a series expansion is obtained.     

Completeness of the classical 2D Ising model and universal quantum computation

We prove that the 2D Ising model is complete in the sense that the partition function of any classical q-state spin model (on an arbitrary graph) can be expressed as a special instance of the partition function of a 2D Ising model with complex inhomogeneous couplings and external fields. In the case where the original model is an Ising or Potts-type model, we find that the corresponding 2D square lattice requires only polynomially more spins with respect to the original one, and we give a constructive method to map such models to the 2D Ising model. For more general models the overhead in system size may be exponential. The results are established by connecting classical spin models with measurement-based quantum computation and invoking the universality of the 2D cluster states.     

Quantum-chemical modeling of ferroelectric solids with hydrogen-bond networks of different dimensionalities and their deuterated analogs

The application of quantum chemistry methods in the microscopic theory of H/D-bonded ferroelectrics and antiferroelectrics is illustrated using a comparative analysis of low-temperature order-disorder structural phase transitions in zero-dimensional materials of the K₃H(SO₄)₂ family, zero-dimensional crystals of 5-halo derivatives of 9-hydroxyphenalenone (5Hal-9HPO), and three-dimensional crystals of potassium dihydrogen phosphate (KDP) and potassium dideuterium phosphate (DKDP) as examples. In the framework of the Ising model with tunneling, it is demonstrated that (in agreement with experimental data) the transition to the low-temperature ordered phase in zero-dimensional materials is possible only in the case of their deuteration, whereas the quantum paraelectric behavior is characteristic of undeuterated samples. This behavior for KDP crystals is impossible due to the sharp increase in the Ising parameters as compared to zero-dimensional materials. The factors responsible for the increase in these parameters are considered.     

Exact solution of the spin-1/2 Ising model on the Shastry–Sutherland (orthogonal-dimer) lattice

A star-triangle mapping transformation is used to establish an exact correspondence between the spin-1/2 Ising model on the Shastry–Sutherland (orthogonal-dimer) lattice and respectively, the spin-1/2 Ising model on a bathroom tile (4–8) lattice. Exact results for the critical temperature and spontaneous magnetization are obtained and compared with corresponding results on the regular Ising lattices.