The Conference and School for Young Scientists High-temperature X-ray Diffraction and X-ray Diffraction of Nanomaterials (HTXRD-4), October 19–21, 2020 E-mail: htxrd2020@mail.ru +7 (911) 9701836

Rimma S. Bubnova, Andrey P. Shablinskii, Vera A. Firsova, Sergey N. Volkov (ICS RAS) Determination of thermal expansion tensor according to X-ray diffraction data (TTT and RTT)
During the workshop, students will master the work with the RietveldToThensor and ThetaToThensor software complexes. These software systems are designed to study the deformations of the crystal lattice according to the data of powder HTXRD and differ only in the first stage of processing the diffraction patterns. The ThetaToThensor program allows you to measure the position of the 2θ peaks, then indicate them and determine the unit cell parameters by the least squares method. The RietveldToTensor program includes the stage of X-ray refinement using the Rietveld method. It is also possible to refine the coordinates and parameters of the displacements of atoms, the occupancy of positions, and calculate the change in the lengths and angles of chemical bonds. By polynomial approximation of the dependences of the unit cell parameters, the main tensor values are determined: the main coefficients of the thermal expansion / compressibility / compositional (chemical) deformation tensor and the orientation parameters of the tensor axes relative to the crystallographic axes. The program also allows you to build a 3D surface and its 2D surface sections. During the workshop, students solve 1-2 problems.

To participate in the workshop, you need to install the demo version of the RTT / TTT program on your computer in advance, as well as download the tasks. You can download here.

Записавшиеся участники

1

Сыров Е.В.

2

Попова Е.Ф.

3

Исмагилова Р.М.

4

Еникеева М.О.

5

Назарчук Е.В.

6

Богдан Т.В.

7

Михайлова А.Б.

8

Сметанина К.Е.

9

Тимчук А.В.

10

Крикунова П.В.

11

Бельская Н.А.

12

Лис О.Н.

13

Белозерова Н.М.

14

Ломакин М.С.

15

Бузанов Г.А.

16

Проскурина О.В.

17

Гайдамака А.А.

18

Авдонцева М.С.

19

Копылова Ю.О.

20

Смирнова Е.С.

21

Хрыкина О.Н.