对冷聚变全原子论的进一步探讨

我在一篇论文中提出了一个冷聚变的全原子论，阐明氘原子进入钯晶体间隙位置时扩展成为一个封闭的球形全原子，其价电子完全在球内，围绕氘核运动使氘核对邻近氘核的排斥作用被屏蔽掉，使氘核易于接近而产生聚变。对离子晶体两个负氘离子相互作用是怎样引起聚变的没做详细讨论，本文将对此问题进一步进行详细讨论。     

过渡金属原子在离子晶体上的化学吸附

本文研究了一种描写过渡金属原子在离子晶体上的化学吸附模型。其中离子晶体用半无限A—B交替原子链代表,而吸附原子d轨道电子间的库仑排斥作用则用Anderson-Newns方法表述。对d轨道电子与晶体表面相互作用的几种不同耦合常数,用自洽格林函数方法计算了化学吸附能和吸附原子的电荷转移量。讨论了各种自洽解的存在条件和性质,得到了一些有趣的定性结论。 关键词：     

ICP与吸收光谱测定LiNbO3, Zn:LiNbO3晶体中Cr3+离子的分布及有效分凝系数

应用坩埚下降法生长了掺杂Cr与双掺杂Cr，Zn的LiNbO3晶体。测定了掺杂晶体不同部位的吸收系数。用电感耦合等离子体原子发射光谱(ICP)法测定了Cr离子在LN晶体中的浓度，并计算了Cr离子在LiNbO3晶体中的有效分凝系数。研究结果表明：在单掺杂Cr的LiNbO3晶体中，随着Cr^3 掺杂浓度从0．1增加到0．5mol％时，其有效分凝系数从3．75减少到2．49，Cr^3 离子在晶体中的浓度分布差异逐步减少；ZnO的掺入能有效地减少Cr^3 的分凝系数，然而ZnO掺杂浓度从3增加到6mol％时，其有效分凝系数且从1．85增加到2．25。可从ZnO组分对Cr离子的排斥作用及Zn离子在LN晶体中随掺杂数量变化的分凝现象解释了产生Cr离子浓度及有效分凝系数变化的原因。     

高压下稀土离子的电子态

给出了稀土离子电子态在高静水压下的某些特性,包括高压下的发光光 谱及能级特性,晶体场强度的压力效应,4f电子库仑排斥及自旋轨道耦合等作用随压力 的变化等。     

ZnO对Eu∶LiNbO3晶体的性能及光谱性质影响

应用坩埚下降法技术,以同成份化学摩尔分数[x(Li2O)=48.6%,x(Nb2O5)=51.4%]为原料,生长出了以不同Zn,Eu双掺杂的LiNbO3晶体。测定了晶体下部与上部的X射线衍射图(XRD)、激发光谱、荧光光谱以及声子边带谱。Zn的掺杂量对Eu3+离子在晶体中的分布产生很大的影响。Zn掺杂摩尔分数为3%时,Eu3+离子在进入晶格时受到有效的压制。随着Zn掺杂摩尔分数提高,达到6%时,压制作用减弱。从Zn2+离子在LiNbO3中随浓度变化的分凝情况以及对Eu3+离子的排斥作用解释了Eu3+离子分布的原因。同时测定了Zn掺杂样品的声子边带谱。     

ZnO对EU:LiNbO3晶体的性能及光谱性质影响

应用坩埚下降法技术，以同成份化学摩尔分数[x（Li2O）=48．6％,x（Nb2O3）=51．4％]为原料，生长出了以不同Zn，Eu双掺杂的LiNbO3晶体。测定了晶体下部与上部的X射线衍射图（XRD）、激发光谱、荧光光谱以及声子边带谱。Zn的掺杂量对Eu^3＋离子在晶体中的分布产生很大的影响。Zn掺杂摩尔分数为3％时．Eu^3＋离子在进入品格时受到有效的压制。随着Zn掺杂摩尔分数提高，达到6％时，压制作用减弱。从Zn^2＋离子在LiNbO3中随浓度变化的分凝情况以及对Eu^3＋离子的排斥作用解释了Eu^3＋离子分布的原因。同时测定了Zn掺杂样品的声子边带谱。     

晶场二级效应与交换作用对PrF3晶体磁性及磁光性质的影响

研究了晶场二级效应在PrF3晶体中的作用,发现该效应可使Pr3+离子的晶场单态与其他态混合,对PrF3晶体磁化率产生明显影响.进一步研究了晶体内的交换作用有效场,其形式为Hin(1.9-0.02556T)×10-5M,在100-300 K 的温度范围内,以此计算的PrF3晶体的倒数磁化率和Verdet常数的倒数与实验值符合较好.结果表明,在PrF3晶体中,晶场二级效应与离子间的交换作用都不能忽略.     

硷金属卤化物离子晶体的科希关系式

本文在二级微扰的近似下,具体导出一个离子在其它离子(看作是点电荷)的晶体场中作用能的一般表达式,写出晶体的能密度函数,从而导出硷金属卤化物离子晶体的各弹性系数的表达式,对于科希关系式的偏离作了数值计算,并与实验结果进行比较。     

掺Pb,Ga对Ce:YIG晶体磁光性能的影响

研究了掺Pb,Ga对Ce:YIG晶体的晶场、交换作用和磁光Faraday效应的影响.当Ga³⁺离子取代量为12%时，交换作用有效场减少51%，导致Ce³⁺离子最低两个能级的占有概率之差减少49%.Ga³⁺离子取代，同时影响分子场和晶场；而Pb²⁺离子的取代，只影响晶体场，对分子场的影响甚微.掺杂对稀土石榴石晶体的磁光性能有较大影响. 关键词： PbGaCe:YIG晶体 晶场 超交换作用 磁光效应     

晶场二级效应与交换作用对PrF3晶体磁性及磁光性质的影响

研究了晶场二级效应在PrF₃晶体中的作用，发现该效应可使Pr³⁺离子的晶场单态与其他态混合，对PrF₃晶体磁化率产生明显影响.进一步研究了晶体内的交换作用有效场，其形式为H_in=(1.9-0.02556T)×10^-5M，在100—300 K的温度范围内，以此计算的PrF₃晶体的倒数磁化率和Verdet常数的倒数与实验值符合较好.结果表明，在PrF₃晶体中，晶场二级效应与离子间的交换作用都不能忽略. 关键词： 晶场二级效应 交换作用有效场 Verdet常数 3晶体')" href="#">PrF₃晶体     

NaCl的Gruneisen参数及其随压力变化的计算

 本文利用刚性离子模型计算了NaCl的Gruneisen参数及其随压力的变化。计算中，使用了我们以前成功地计算了状态方程的离子势：对最近邻排斥势分别使用了两种形式的修正的Born-Mayer势，并利用电子气理论的计算结果处理了次近邻排斥势和关联势的影响。所得到的结果与实验符合的程度是令人满意的。     

利用Gordon-Kim模型对NaCl物态方程的研究

 本文对孤立离子Hartree-Fock波函数的数值解出发，直接计算了NaCl晶体中各种离子对的相互作用势。结果表明，对不同的离子对，其短程作用势性质不同。对Na⁺-Cl^-离子对，其短程作用势为正，而对Cl^--Cl^-离子对和Na⁺-Na⁺离子对，对物理上感兴趣的大部分距离范围内，其短程作用势为负。在对以上的离子对势进行了解析拟合后，通过晶格动力学的方法计算了晶体的Grüneisen参数和物态方程，其结果与实验符合程度是令人满意的。     

THE CONVERSION OF GLUONS INTO QUARKS AND THE MULTIQUARK STATES

The rate for the conversion of the gluon into a color octet quark pair which subsequently forms a multiquark state with another quark pair or a gluon is discussed. The static potential in a [(QQ)₈(qq)_8,1] state where Q=c,b and q=u, d is studied in the MIT bag model. It is shown that the repulsive Coulomb force between Q and Q is dominant at small QQ separations, which would significantly suppress the QQ wave function at the origin. For the charm quark (Q=c) the ratio of |Ψ(O)|² for the ordinary (QQ)₁ to that for the(QQ)₈ in the [(QQ)₈(qq)_8,1] state is estinated to be 2-5. Therefore the assumption |Ψ₈(O)|²=|Ψ₁(O)|² would lead to an overestimation for the rate of g*→QQ and it is necessary to take the suppression effect of the repulsive Coulomb force into consideration.     

Analysis of polarizabilities of alkali halides using Narayan-Ramaseshan repulsive potential

The repulsive potential in ionic crystals recently proposed by Narayan and Ramaseshan (NR) can be expressed as the sum of the contributions from the individual ions. In the present paper we show that using this repulsive potential it is possible to divide the polarizability arising from the relative displacement of ions into its ionic constituents. NR have also derived the ionic radii in alkali halides which we have used to estimate the electronic polarizabilities of ions with the help of polarizability-radius cube relation. The electronic polarizabilities of alkali and halogen ions thus evaluated show a good agreement with those deduced from the experimental refraction data.     

液晶分子的抗弯刚度与分子间位致排斥势

定义了反映分子刚性的物理量，称为抗弯刚度Ｋ．给出了用具体的化学键结构和键的力常数计算Ｋ的方法．计算得ＰＡＡ，ａｎｉｓａｌｄｅｈｙｄｅ ａｚｉｎｅ和ＢＡ的Ｋ分别为３．１７×１０⁴，２．９３×１０⁴，４．１７×１０⁴ｎｍｋ_BＫ．导出了分子间位致弹性排斥势．提出了处理弹性棒分子体系的统计物理方法．对ＰＡＡ作了具体的数值计算，并讨论了向列序形成的微观机制：吸引势是主要的，但位致排斥势起十分重要的作用． 关键词：     

Kinetic energy contributions to heavy ion potentials

It is shown that the change in the intrinsic kinetic energies of two interacting heavy ions gives a repulsive contribution to the heavy ion interaction potential. It is proposed that this effect explains a major part of the discrepancy between folded and experimentally determined HI potentials.     

The origin of the attraction between like charged hydrophobic and hydrophilic walls confining a near-critical binary aqueous mixture with ions

The effect of ionic solute on a near-critical binary aqueous mixture confined between charged walls with different adsorption preferences is considered within a simple density functional theory. For the near-critical system containing small amounts of ions, a Landau-type functional is derived on the basis of the assumption that the correlation, ξ, and the Debye screening length, κ(-1), are both much larger than the molecular size. The corresponding approximate Euler-Lagrange equations are solved analytically for ions insoluble in the organic solvent. A nontrivial concentration profile of the solvent is found near the charged hydrophobic wall as a result of the competition between the short-range attraction of the organic solvent and the electrostatic attraction of the hydrated ions. An excess of water may be present near the hydrophobic surface for some range of the surface charge and ξκ. As a result, the effective potential between the hydrophilic and the hydrophobic surface can be repulsive far from the critical point, then attractive and again repulsive when the critical temperature is approached, in agreement with a recent experiment (Nellen et al 2011 Soft Matter 7 5360).     

氢离子在固体表面掠角散射与能量损失的数值模拟

利用介电响应理论和镜像反射模型对氢离子在固体表面掠角散射和能量损失进行了数值模拟．离子在表面散射时同时受到表面上原子的库仑排斥作用和表面电子气的动力学相互作用,后者是表面电子受运动的正离子扰动所产生,用线性介电响应理论来确定．在高速和低速情况下,分别采用仅与频率有关的局域介电函数和局域场修正介电函数来确定表面电子气产生的动力学相互作用力．计算结果与实验结果作了比较．发现入射速度很低时能量损失随入射角度变化不太明显,而当速度很高时能量损失随入射角度的变大而有所增加. 关键词：     

Mechanism of the direct three-body recombination of atomic ions in a central collision

The detailed dynamics of direct three-body recombination of the Cs⁺ and Br⁻ heavy ions in the presence of the Xe atom as a third body is studied by the quasiclassical trajectory method. A potential energy surface that quantitatively correctly describes the dynamics of the reverse process of ion formation induced by collisions of CsBr with Xe is used. Depending on the impact parameter of the third body, the stabilization of the product molecule proceeds by several different mechanisms. At impact parameters of b _R ≤ 7 au, the stabilization of the nascent molecule is largely controlled the repulsion potential between one of the ions or both the ions and the third body. The energy transferred to the third body does not depend directly on the repulsive potential energy between the ion and the third body. The phase of collision of the ions at the instant of closest approach plays a key role in the process of energy transfer. For collinear collision configurations of the three particles, the ion-Xe shallow potential wells are demonstrated to produce a noticeable effect.     

The Poisson-Helmholtz-Boltzmann model

We present a mean-field model of a one-component electrolyte solution where the mobile ions interact not only via Coulomb interactions but also through a repulsive non-electrostatic Yukawa potential. Our choice of the Yukawa potential represents a simple model for solvent-mediated interactions between ions. We employ a local formulation of the mean-field free energy through the use of two auxiliary potentials, an electrostatic and a non-electrostatic potential. Functional minimization of the mean-field free energy leads to two coupled local differential equations, the Poisson-Boltzmann equation and the Helmholtz-Boltzmann equation. Their boundary conditions account for the sources of both the electrostatic and non-electrostatic interactions on the surface of all macroions that reside in the solution. We analyze a specific example, two like-charged planar surfaces with their mobile counterions forming the electrolyte solution. For this system we calculate the pressure between the two surfaces, and we analyze its dependence on the strength of the Yukawa potential and on the non-electrostatic interactions of the mobile ions with the planar macroion surfaces. In addition, we demonstrate that our mean-field model is consistent with the contact theorem, and we outline its generalization to arbitrary interaction potentials through the use of a Laplace transformation.