Effect of channelben protein interaction on translocation of a protein-like chain through a finite channel

We study the translocation of a protein-like chain through a finite cylindrical channel using the pruned-enriched Rosenbluth method (PERM) and the modified orientation-dependent monomer-monomer interaction (ODI) model. Attractive channels (ε_cp=-2.0, -1.0, -0.5), repulsive channels (ε_cp=0.5, 1.0, 2.0), and a neutral channel (ε_cp =0) are discussed. The results of the chain dimension and the energy show that Z₀=1.0 is an important case to distinguish the types of the channels. For the strong attractive channel, more contacts form during the process of translocation. It is also found that an external force is needed to drive the chain outside of the channel with the strong attraction. While for the neutral, the repulsive, and the weak attractive channels, the translocation is spontaneous.     

Effect of two body core on the charge form factor of3He including three body force and meson exchange current

We compare the effect of two body core on the charge form factor of³He by the hyperspherical harmonics expansion method using various 2BF potentials with the inclusion of three body force. We also include the meson exchange current contribution to the CFF for the same potentials in addition to the 3BF. The results indicate that the combined effect of 3BF and MEC (i) movesq _min ² (the first diffraction minimum) appreciably to the left, amount of shift depends on the 2BF atr ₁₂∼0.7 fm and (ii) enhancesF _max (the height of the secondary maximum of CFF) by an appreciable amount, the increment in general increases with the repulsive core of 2BF (r⩽0.1 fm).     

Oscillating Casimir Effect of a Trapped Fermi Gas

We study the Casimir effect for two parallel slabs immersed in a harmonically trapped Fermi gas. The Casimir force and its distribution on the slabs are calculated. It is found that the Casimir force oscillates with the separation L _z of the slabs and can be either attractive or repulsive, depending sensitively on the size of L _z . It is also found that the size and sign of the Casimir pressure (i.e., the Casimir force on the unit area) oscillates with the variation of the distance r away from the center of the harmonic potential and its amplitude decreases with the increase of r.     

On the composition-dependent isotope effect of HTSC in the two-band model

The oxygen isotope effect in high-T_C superconductors has been investigated on the basis of a two-band model where superconducting phase transition is induced by interband (mainly Coulombic) interaction. The isotope shift of T_C appears due to the dependence of averaged interband electronphonon coupling constant on oxygen mass. This coupling has a repulsive nature and gives a relatively small contribution to the total interaction inducing superconductivity. The calculated isotope effect exponent depending on the carrier concentration has been compared with the experimental one as a function of x for La_2-xSr_xCuO₄.     

The Repulsive Lattice Gas, the Independent-Set Polynomial, and the Lovász Local Lemma

We elucidate the close connection between the repulsive lattice gas in equilibrium statistical mechanics and the Lovász local lemma in probabilistic combinatorics. We show that the conclusion of the Lovász local lemma holds for dependency graph G and probabilities {p_x} if and only if the independent-set polynomial for G is nonvanishing in the polydisc of radii {p_x}. Furthermore, we show that the usual proof of the Lovász local lemma – which provides a sufficient condition for this to occur – corresponds to a simple inductive argument for the nonvanishing of the independent-set polynomial in a polydisc, which was discovered implicitly by Shearer⁽⁹⁸⁾ and explicitly by Dobrushin.^(37,38) We also present some refinements and extensions of both arguments, including a generalization of the Lovász local lemma that allows for soft dependencies. In addition, we prove some general properties of the partition function of a repulsive lattice gas, most of which are consequences of the alternating-sign property for the Mayer coefficients. We conclude with a brief discussion of the repulsive lattice gas on countably infinite graphs.     

Domain wall theory of elementary excitations in anisotropic antiferromagneticS=1 chains

We present a theoretical investigation of elementary excitations in anisotropic antiferromagneticS=1 chains using the concept of domain walls in string (hidden) order. Domain walls are classified by the internal spin projectionS _dw ^z . We calculate energies and string correlation 0 functions of low lying excited states of the domain wall type in the Haldane phase and compare the results to those of numerical computations. The boundaries of the Haldane phase are determined from the instability of these excitations with respect to the ground state. The interaction between two domain walls is found to be proportional to the productS _dw ^z , S _dw ^z ₂, it is effectively repulsive 0140 for equal spin projections.     

Perturbation theory for the radial distribution function

Perturbation theory is used to consider expansions for the radial distribution function, g ₂(r), of a fluid with a soft core. We consider the Lennard-Jones (12, 6) potential and divide it into repulsive and attractive regions. In the repulsive region we expand the function exp (β u(r))g ₂(r) about a hard sphere value. For the first-order contribution of the attractive region we consider a simple approximation to the exact analytical expression. The resulting g ₂(r) is accurate at densities below about ρσ ³=0·5.     

Pressure induced phase transitions in Ga1 − x In x P

We have theoretically investigated the effect of pressure on the structural stability of GaP?:?InP mixed system. The three-body-potential (TBP) model has been used. The TBP model consists of long-range as well as short-range interactions; the long-range part includes the modified Coulomb force as well as a three-body term; the short-range part in TBP defines the van der Waals and overlap repulsive interactions. We observe a pressure-induced structural phase transformation from ZnS (B3) to NaCl (B1) type phase in Ga _1?x In _x P. Our calculated transition pressures for the initial GaP and final InP compound semiconductors are in good agreement with other reported data.     

Importance of solute–solute interactions on glass formability

Microalloying experiments on amorphous Al₈₄La₄Er₂Ni₈TM₂ alloys were performed with the substitution of all 3d TM (transition metal) elements and one 4d TM element. The critical thickness of the amorphous alloys was used as a criterion for glass formability in this system. The results show that, other than atomic size differences and the negative heats of mixing among the solvent and solute atoms, the atomic interactions among the solute atoms play an important role on glass formation. When the solute–solute interaction becomes repulsive (positive heat of mixing), glass formability suffers. Similarly, when the solute–solute interaction becomes highly attractive, exceeding that between the solvent and solute atoms, glass formability is also degraded. Evaluation of a large number of known multicomponent bulk metallic glasses provides additional support to these conjectures. This study shows that the solute–solute interaction plays an important role in glass formation, which has not been recognized previously.     

Hartree-Fock variational bounds for ground state energy of chargeless fermions with finite magnetic moment in the presence of a hard core potential: A stable ferromagnetic state

We use different determinantal Hartree-Fock (HF) wave functions to calculate true variational upper bounds for the ground state energy of N spin-half fermions in volume V ₀, with mass m, electric charge zero, and magnetic moment μ, interacting through magnetic dipole-dipole interaction. We find that at high densities when the average interparticle distance r ₀ becomes small compared to the magnetic length r _m ≡ 2mμ²/ħ², a ferromagnetic state with spheroidal occupation function n _↑(), involving quadrupolar deformation, gives a lower upper bound compared to the variational energy for the uniform paramagnetic state or for the state with dipolar deformation. This system is unstable towards infinite density collapse, but we show explicitly that a suitable short-range repulsive (hard core) interaction of strength U ₀ and range a can stop this collapse. The existence of a stable equilibrium high density ferromagnetic state with spheroidal occupation function is possible as long as the ratio of coupling constants Γ_cm ≡ (U ₀ a ³/μ²) is not very small compared to 1.      

Quenching Evolution in a Quantum-Classical Hybrid System

The adiabatic theorem, an important theory in quantum mechanics, tells that a quantum system subjected to gradually changing external conditions remains to the same instantaneous eigenstate of its Hamiltonian as it initially in. In this paper, we study the quench evolution that is another extreme circumstance where the external conditions vary rapidly such that the quantum system can not follow the change and remains in its initial state (or wavefunction). We examine the matter-wave pressure and derive the requirement for such an evolution. The study is conducted by considering a quantum particle in an infinitely deep potential, the potential width Q is assumed to be change rapidly. We show that the total energy of the quantum subsystem decreases as Q increases, and this rapidly change exerts a force on the wall which plays the role of boundary of the potential. For Q < Q₀ (Q₀ is the initial width of the potential), the force is repulsive, and for Q > Q₀, the force is positive. The condition for the quenching evolution evolution is given via a spin-\( \frac{1}{2} \) in a rotating magnetic field.

     

Oscillating Casimir force between two slabs in a Fermi sea

The Casimir effect for two parallel slabs immersed in an ideal Fermi sea is investigated at both zero and nonzero temperatures. It is found that the Casimir effect in a Fermi gas is distinctly different from that in an electromagnetic field or a massive Bose gas. In contrast to the familiar result that the Casimir force decreases monotonically with the increase of the separation L between two slabs in an electromagnetic field and a massive Bose gas, the Casimir force in a Fermi gas oscillates as a function of L. The Casimir force can be either attractive or repulsive, depending sensitively on the magnitude of L. In addition, it is found that the amplitude of the Casimir force in a Fermi gas decreases with the increase of the temperature, which also is contrary to the case in a Bose gas, since the bosonic Casimir force increases linearly with the increase of the temperature in the region T < T_c, where T_c is the critical temperature of the Bose-Einstein condensation.     

Dispersion of Nano TiO2 in Ethylene Glycol and Poly(ethylene terephthalate)

Nano TiO₂ was dispersed in ethylene glycol (EG) by the replacement of dispersion medium from water sol. EG/TiO₂ suspension was well stabilized by the electrostatic repulsive force when pH value of suspension was less than 4.3. In situ polymerization starting from bis(2-hydroxyethyl) terephthalate (BHET) and EG/TiO₂ suspension was carried out to prepare a series of poly(ethylene terephthalate) (PET)/TiO₂ nanocomposites. Under highly acidic conditions, 97% particles dispersed in PET matrix had the size less than 100 nm. With the increase of pH value, aggregation occurred and larger size particles appeared. A tensile test showed that Young's modulus of PET was increased by the addition of nano TiO₂     

MAGNETIZATION CHARACTERISTICS OF YBaCuO BULK MATERIAL FABRICATED BY THE SEEDING TECHNIQUE

YBaCuO (YBCO) bulk materials with large superconductive domains were fab-ricated using a small SmBa₂Cu₃O_x grain as the seed for growth, The capacities of strong flux pinning and well grain linking in the material have been shown in the investigations on magnetization loop end ac susceptibility. The strong flux pinning made it possible for the large YBCO bulk to capture a great dea. l of flux and keep the residual magnetism stable. The residual field intensity H_rem was shown to have a maximum of 0.125 T after the 0.5 T NdFeB magnetizing field was moved away. We did not find much decline of H_rem in a short time. The magnetized YBCO bulk pro-duced repulsive force upon another YBCO bulk as the permanent magnet did. We measured and calculated the force between two YBCO bulks. The theoretical result was in agreement with the experimental one by and large.     

Vacuum Boundary Effects

The Casimir effect is highly dependent on the shape and structure of space boundaries. This dependence is encoded in the variation of vacuum energy with the different types of boundary conditions. We analyze from a global perspective the properties of the Casimir energy as a function on the largest space of the consistent boundary conditions M_F\mathcal{M}_{F} for a massless scalar field confined between to homogeneous parallel plates. In particular, we analyze the analytic properties of this function and point out the existence of a third order phase transition at periodic boundary conditions. We also characterize the boundary conditions which give rise to attractive or repulsive Casimir forces. In the interface between both regimes we find a very interesting family of boundary conditions without Casimir effect, and fully characterize the boundary conditions which do not induce any type of Casimir force.     

Nucleon-nucleon interaction with tensor forces in the quark compound bag model

A model forN-N interaction proposed earlier by two of us (VSB and VKG), has been extended to incorporate the tensor component of the nuclear force. Based on the quark compound bag model (QCB), the nucleon-nucleon potential has a short range repulsive core which is non-local and has a characteristic energy dependence and is expressed in terms of the parameters relating to the six-quark compound bag. To account for the low energy properties, this repulsive core interaction is supplemented by a phenomenological non-local potential containing both central (S-wave) and tensor components and operates only outside the QCB. Using this model, we analyse and compare the results with the experimental data for the electromagnetic form factors of the deuteron, theD-state observables, such as the quadrupole moment, theD-state probability, and theD/S ratio along with then-p scattering phase shifts up to about 400 MeV.     

Triple quantum MQMAS spectroscopy of (I=7/2) in Na3Co(NO2)6 and trans-Co[(en2)(NO2)2]NO3 interplay between the quadrupole coupling and anisotropic shielding tensors

The purpose of this paper is to investigate the interplay between the chemical shielding anisotropy and quadrupole interaction in MQMAS spectra. in the compounds Na₃Co(NO₂)₆ and trans-Co[(en₂)(NO₂)₂]NO₃ provides model systems for such an investigation. Furthermore, only few results have been reported on the application of the MQMAS method to a spin I=7/2. The possibilities of the MQMAS spectroscopy for determining the relative orientation of the two tensors and its advantage over previous techniques are discussed. Reported experimental spectra at different spinning speeds of Na₃Co(NO₂)₆ are accurately reproduced by our theoretical simulations. The calculations are based on a recent approach, summarized in the present paper, which allows one to perform efficient simulations of MQMAS spectra including all interactions and their time-dependence throughout the experiment. This is necessary for calculating accurate MQMAS spectra including the spinning sideband pattern. In the case of trans-Co[(en₂)(NO₂)₂]NO₃ where the quadrupolar interaction and chemical shielding are stronger and their axes are non-coincident, the MQMAS spectrum is strongly distorted due to the unsufficient spinning speed and RF power. In this case, MAS at different spinning speeds is shown to provide valuable information.     

An ab initio investigation of the low-lying electronic states of BeH

Potential energy curves(PECs) for the ground state(X 2 Σ +) and the four excited electronic states(A 2 Π,B 2 Π,C 2 Σ +,4 Π) of a BeH molecule are calculated using the multi-configuration reference single and double excited configuration interaction(MRCI) approach in combination with the aug-cc-pVTZ basis sets.The calculation covers the internuclear distance ranging from 0.07 nm to 0.70 nm,and the equilibrium bond length R e and the vertical excited energy T e are determined directly.It is evident that the X2Σ+,A2Π,B2Π,C2Σ+ states are bound and 4Π is a repulsive excited state.With the potentials,all of the vibrational levels and inertial rotation constants are predicted when the rotational quantum number J is set to be equal to zero(J = 0) by numerically solving the radial Schr¨odinger equation of nuclear motion.Then the spectroscopic data are obtained including the rotation coupling constant ω e,the anharmonic constant ωexe,the equilibrium rotation constant Be,and the vibration-rotation coupling constant αe.These values are compared with the theoretical and experimental results currently available,showing that they are in agreement with each other.     

An algebraic description of anharmonic diatom–diatom inelastic collisions in the semiclassical approximation

An algebraic model to describe inelastic collisions between two anharmonic diatomic molecules in the semiclassical approximation is presented. The interactions for the diatomic systems are modelled in terms of Morse potentials, while an exponential repulsive potential is taken for the interactions between the nearest atoms of the diatomic systems. This problem is treated in the interaction potential framework, where an approximation in terms of the generators of three SU(2) groups is proposed, two corresponding to the Morse oscillators and the other to the interaction. The transition probabilities are given in terms of a sum of the products of three Wigner's d(β) functions corresponding to the three SU(2) groups. As an example the systems N₂?+?N₂ and H₂?+?H₂ are described and compared with exact quantum mechanical calculations.     

低温高背压氘团簇源特性研究

为了产生大尺度氘团簇用于与强激光相互作用研究，研制了低温高背压团簇源.利用瑞利散射法对团簇尺度与气体背压相关性和团簇的形成演变过程进行了研究.得到团簇尺度N_c随背压的指数变化关系为N_c∝P^2.89₀，当气体温度为80K，背压P₀为48×10⁵Pa时，氘团簇尺度N_c≈2630，并得到了团 关键词： 氘团簇 团簇源 瑞利散射 激光与团簇相互作用