On model-free reconstruction of lattice dynamics from thermal diffuse scattering [0.03%]
基于热扩散散射的无模型晶格动力学重建方法
Alexei Bosak,Dmitry Chernyshov
Alexei Bosak
Expressions are derived for thermal diffuse scattering (TDS) using a formalism based on Born's S-matrix. It is shown that for monoatomic crystals the dynamical matrix containing the full information on lattice dynamics can be recovered from...
Determination of the electrostatic potential and electron density of silicon using convergent-beam electron diffraction [0.03%]
利用汇聚束电子衍射测定硅的静电势和电子密度
Yoichiro Ogata,Kenji Tsuda,Michiyoshi Tanaka
Yoichiro Ogata
A structure-analysis method using convergent-beam electron diffraction (CBED) developed by Tsuda et al. [Tsuda & Tanaka (1999), Acta Cryst. A55, 939-954; Tsuda, Ogata, Takagi, Hashimoto & Tanaka (2002), Acta Cryst. A58, 514-525] has been ap...
A statistical interpretation of the triplet and quartet invariant in P1. A theoretical discussion [0.03%]
P1中三联体和四联体不变量的统计解释-理论讨论
J Brosius
J Brosius
We present a method that we call symbolic asymptotic development (SAD) to obtain joint probability distributions (j.p.d.'s) of phases of structure factors for general even densities of the atomic position vectors. The formula for the triple...
The quartet revisited [0.03%]
弦乐四重奏乐团
J Brosius
J Brosius
Using an unbiased and very general joint density of the atomic position vectors we are able to calculate different probabilities for the sign of the quartet given its second neighborhood. One already knows that additional chemical informati...
J Brosius
J Brosius
It is shown that the formula for the positivity of the triplet invariant in P 1bar changes drastically if one uses a different statistical method by imposing acceptable and unbiased additional structural information. We obtain a much lower ...
X-ray and gamma-ray propagation in bent crystals with flat and cylindrical surfaces [0.03%]
平面和柱面弯曲晶体中的X射线与γ射线传播特性研究
A Apolloni,G Mana,C Palmisano et al.
A Apolloni et al.
In this paper, X-ray and gamma-ray propagation in crystals having a constant strain gradient and flat or cylindrical surfaces is investigated. When a displacement field is present, the Takagi-Taupin equations are solved either by the Rieman...
Stacking and twin faults in close-packed crystal structures: exact description of random faulting statistics for the full range of faulting probabilities [0.03%]
堆积和孪晶故障在紧密堆积的晶体结构中的统计描述：随机故障概率范围内的精确描述方法
E Estevez-Rams,U Welzel,A Pentón Madrigal et al.
E Estevez-Rams et al.
The classical model of independent random single deformation faults and twin faulting in face-centered-cubic and hexagonal close packing is revisited. The model is extended to account for the whole range of faulting probabilities. The fault...
The symmetry of HK codes representing close-packed structures and the efficient generation of non-equivalent polytypes of a given length [0.03%]
HK码表示紧密堆积结构的对称性及给定长度下非等价多型体的有效生成方法
Ernesto Estevez-Rams,Jennifer Martinez-Mojicar
Ernesto Estevez-Rams
The HK representation of close-packed polytypes is studied as a binary code. It is shown that the HK code can be seen as operators forming a group. The neutrality condition is then translated to HK sequences that result in the identity oper...
Rocco Caliandro,Benedetta Carrozzini,Giovanni Luca Cascarano et al.
Rocco Caliandro et al.
(F(o)-F(c)) and (2F(o)-F(c)) Fourier syntheses are considered the most powerful tools for recovering the remainder of a structure and for correcting crystal structure models. A probabilistic approach has been applied to derive the formula f...
Masami Yoshizawa,Tomoe Fukamachi,Kenji Hirano et al.
Masami Yoshizawa et al.
X-ray rocking curves in the Bragg-Laue case diffracting from the side surface of a plane-parallel crystal have been measured using a high-resolution optical system. The full width at half-maximum of the rocking curves is approximately three...