Mathematical modeling of the interaction of a model water molecule with a membrane based on cells of double-walled open carbon nanotubes

In this work, the process of interaction of a cell of four double-walled nanotubes with a water molecule was numerically simulated. The simulation results show that under normal conditions, water molecules pass through a cell of nanotubes in a plane parallel to the length of the tubes, and in a plane perpendicular to the length, the structure for such molecules is not passable

Investigation of the selective properties of two different graphene-nanotube structures

In this paper, sandwich structures for the separation of gas mixtures are considered. As a result, two types of structures were created and tested: a model complex structure based on a carbon nanotube and a graphene sheet, which consisted of 360 carbon atoms and a sandwich structure composed of a graphene sheet and two parallel carbon nanotubes. The results show that some materials collected from such cell structures can potentially be used for the separation of methane-helium mixtures. The results of calculations for methane and helium are presented

Simulation of the motion of three methane molecules inside a closed carbon nanotube

In this paper, the authors present the results of modeling the movement of three methane molecules into a closed carbon nanotube. The main approach in this work is to model the interaction between methane molecules and the structure of a nanocapsule, which is a single-walled closed carbon nanotube. Descriptively, the interaction is represented using molecular dynamics approaches and the Lennard-Jones potential. Methane molecules in this model are material points corresponding to the centers of mass of the molecules. To solve the resulting equations of motion of molecules inside the nanotube, the classical Runge–Kutta method is used

Nondestructive testing of an aluminum alloy welded joint based on a mathematical model of the thermal welding process and computer microtomography

Strength control of welded joints is used in many industries. X-ray microtomography as a method of nondestructive testing allows one not only to detect the presence of defects, but also to classify them and assess the size of cracks and noncrack-like defects (pores). This article discusses the nondestructive testing of welded joints of 6061 T6 aluminum alloy using computer micrototomography and a mathematical model of the thermal welding process implemented in ANSYS Workbench. Experimental results of the X-ray microtomograph are presented, and the size of defects in this sample is estimated. The mathematical model allowed us to obtain the thermal histories at which the flaws were formed

DEVELOPMENT OF A SPECIALIZED SOFTWARE PACKAGE FOR NETWORK FORECAST OF FLOOD WATERS

Link for citation: Syryamkin V.I., Ivanenko B.P., Klestov S.A., Khilchuk M.D.  Development of a specialized software package for neural network forecast of flood waters. Bulletin of the Tomsk Polytechnic University. Geo Аssets Engineering, 2023, vol. 334, no. 5, рр.205-216. In Rus. The relevance of the study is caused by the need to develop modern methods of operational monitoring of the condition of territories due to the presence of various kinds of natural phenomena, in particular, floods and flood inundations. A lot of attention is paid to solving this problem by States, regions, municipalities and settlements. Purpose: development of a specialized software package designed to solve problems of short-term and medium-term flood water level forecasting based on operational data from hydrological observations with a minimum set of input data and with the ability to work with aerospace observation data. Objects: the area where the Tom and Ob rivers merge and downstream of the Ob river at the locations of hydrological posts: villages Pobeda, Nikolskoye, Molchanovo. Methods: neural network information modeling. Results. The paper considers the method of creating a neural network simulator designed for processing the results of hydrological measurements and solving a wide range of practical problems, including prognostic ones. An original method of constructing training samples was developed, which allows obtaining results with a minimum set of initial data. The authors investigated the efficiency and accuracy characteristics of neural network algorithms in solving the problem of forecasting the flood water level in the period from April 1 to June 30, 2011–2017