最大似然方法和Bayes方法在结构方程模型分析中的讨论(英文)

本文通过模拟研究,讨论了最大似然方法和Bayes方法在分析结构方程模型中的相似点和不同之处。     

Colossal magnetoresistance manganites: A new approach

Manganites of the LA_1−x Ca _x MnO₃ family show a variety of new and poorly understood electronic, magnetic and structural effects. Here we outline a new approach recently proposed by us, where we argue that due to strong Jahn-Teller (JT) coupling with phonons the twofold degeneratee _g states at the Mn sites dynamically reorganize themselves into localised, JT polaronsl with exponentially small inter-site hopping, and band-like, nonpolaronic statesb, leading to anew 2-band model for manganites which includes strong Coulomb and Hund’s couplings. We also discuss some results from a dynamical mean-field theory treatment of the model which explains quantitatively a wide variety of experimental results, including insulator-metal transitions and CMR, in terms of the influence of physical conditions on the relative energies and occupation of thel andb states. We argue that this microscopic coexistence of the two types of electronic states, and their relative occupation and spatial correlation is the key to manganite physics. Dedicated to Professor C N R Rao on his 70th birthday     

Kinetics of cooperative conformational transitions of lineal biopolymers

Cooperative conformational transitions of proteins and nucleic acids are of decisive importance to many processes of molecular biology, and particularly to their regulation. They proceed via numerous interdependent elementary processes, and their kinetics are therefore often complicated. They are frequently also very fast. However, kinetic analyses can be carried out by chemical relaxation methods. The theoretical interpretation is comparatively simple in the case of linear biopolymers. When the linear Ising model extended for kinetics was applied to model peptides and polynucleotides, it provided an insight into the fundamental principles of cooperative transformations.     

Structural optimization with parameter-transfer finite element

A mathematical method to solve structural problems, using parameter-transfer finite elements (P-TFE) was recently proposed by the authors [1] [2] [3]. The proposed transfer finite element approach is able to create a mathematical model of a structure, taking into account directly the whole behaviour of the structure under dynamic, aerodynamic, and thermal actions, and not by assembling, in a separate fashion, the stiffness and the mass matrix on one side and the external load vector as performed by the classical finite element procedure.The purpose of this paper is to apply the above methodology to optimization problems, in particular to obtain the minimum structural weight for a beam, under primary constraints on buckling load or natural frequencies.The use of P-TFE in the field of structural optimization overcomes most difficulties of the usual techniques of solution and the element is particularly useful in the evaluation of the sensitivity matrix.The formulation of the optimization problem based on P-TFE is presented and some applications are studied. The numerical results obtained are compared with other existing methodologies and briefly discussed.

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Sommario Gli autori hanno già proposto un metodo per studiare problemi strutturali [1] [2] [3], introducendo una nuova metodologia di discretizzazione, basata sull'impiego di elementi finiti di trasferimento, funzioni esplicite di un parametro, indicati come P-TFE. Tali elementi sono in grado di rappresentare, in similitudine alla funzione di trasferimento, il comportamento completo dell'elemento strutturale in esame, soggetto ad azioni dinamiche, aerodinamiche e termiche; sono parimenti in grado di produrre, in similitudine al metodo degli elementi finiti, un modello matematico discreto di un continuo.Scopo del presente lavoro è di applicare detta metodologia a problemi di ottimizzazione, in particolare alla ricerca del minimo peso per una trave che mantenga inalterate le sue caratteristiche di carico critico o le frequenze naturali di vibrazione.Vengono quindi presentati alcuni risultati numerici dei casi esaminati e confrontati con quelli ottenuti da altri autori con l'impiego di altre metodologie.

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List of Symbols {B} _m vector of the generalized state variables - {C} _m vector of integration constants - [I] unit matrix - EI bending stiffness - A cross-sectional area - u adimensional thickness - l beam length - M,M bending moment - [N] _m shape function ofm-th order - [N*] shape function atx ₀ - P axial load - [R] _i transfer matrix of thei-th element - T,T shear force - w transverse displacement - x adimensional independent variable - x ₀ value ofx at the left of the element - {Y} vector of state variables - {Y*} imposed condition atx ₀ - _0m Kronecker delta with the first pedix always set equal to zero - normalized eigenfrequency - normalized buckling load - mass density     

Note on the Design Differentiability of the Static Response of Elastic Structures

This paper provides a new proof of design sensitivity of the static response of some typical structures. These structures (beams, plates, and plane elastic solids) have been described previously. A proof of design sensitivity of the inverse state operator was provided there, and design sensitivity of static response was derived. The proof presented here is simpler and self-contained.     

Cluster description of water-in-oil microemulsions near the critical and percolation points

The three-component ionic microemulsion system consisting of AOT/water/decane shows an unusual phase behavior in the vicinity of room temperature. The phase diagram in the temperature-volume fraction (of the dispersed phase) plane exhibits a lower consolute critical point at about 40 degrees centigrades and 10% volume fraction. A percolation line, starting from the vicinity of the critical point, cuts across the plane, extending to high volume fraction side at progressively lower temperatures. In this paper we review the evidence that allows to interpret the phase behavior of our system in terms of interacting spherical droplets. We also investigate the dynamics of droplets, below and approaching the critical point by dynamic light scattering. The first cumulant and time evolution of the droplet density correlation function can be quantitatively calculated by assuming the existence of polydispersed fractal clusters formed by the microemulsion droplets due to attraction. The relaxation phenomena observed in an extensive set of measurements of electrical conductivity and permittivity close to percolation is also reviewed and interpreted through the same cluster-forming mechanism, which reproduces the most relevant features of the frequency-dependent complex dielectric constant of this system. Paper presented at the I International Conference on Scaling Concepts and Complex Fluids, Copanello, Italy, July 4–8, 1994.     

相变及空位缺陷对高压下GeO_2光学性质的影响

本文采用第一性原理方法,在100 GPa的压力范围内,计算了GeO_2理想晶体和含锗、氧空位点缺陷晶体的光学性质.吸收谱数据表明,压力诱导的三个结构相变对GeO_2晶体的吸收谱均有影响:第一个相变将导致其吸收边蓝移,而第二和第三相变将使得其吸收边红移.锗和氧空位点缺陷的存在将导致GeO_2的吸收边红移,但氧空位点缺陷引起的红移更明显.尽管如此,分析发现,在100 GPa的压力范围内,压力、相变以及空位点缺陷等因素都不会导致GeO_2晶体在可见光区出现光吸收现象(是透明的).波长在532 nm处的折射率数据显示,在GeO_2的四个相区,其折射率均随压力增加而降低;而且,GeO_2的三个结构相变以及锗、氧空位点缺陷都会导致其折射率有所增大.本文预测,GeO_2有成为冲击光学窗口材料的可能.     

Stability and Existence of Multidimensional Subsonic Phase Transitions

The purpose of this paper is to prove the uniform stability of multidimensional subsonic phase transitions satisfying the viscosity-capillarity criterion in a van der Waals fluid, and further to establish the local existence of phase transition solutions.     

Morphological evidence for surface pre-melting on Si(1 1 1)

We present what we believe to be the first morphological evidence for the occurrence of surface pre-melting on the Si(1 1 1) surface. Our results complement the extensive previous evidence from diffraction and ion scattering techniques for the presence of pre-melted (liquid-like) layers on Si(1 1 1) below the bulk melting temperature and also suggest how atomic steps are involved in the initiation of such layers. Our results are based on atomic force microscopy studies of morphologies that are preserved when surfaces are annealed in a range of high temperatures and then rapidly cooled to room temperature for observation. A unique feature of the experiments is the use of specially prepared atomically flat or very low step density surfaces; this allows us to see how the liquid-like morphologies are associated with the steps and also allows the high temperature structures to survive the cooling process without being absorbed into the steps which normally would exist on a surface vicinal to (1 1 1). Quenched-in structures ascribed to pre-melting also act as sinks for diffusing ‘excess’ adatoms generated by the (1 × 1) to (7 × 7) transition and this leads to the formation of dendritic islands.