COMPUTER-READABLE RECORDING MEDIUM, INFORMATION PROCESSING METHOD, AND INFORMATION PROCESSING DEVICE
개요
발명자
Kei FUJITA; Shigeki FUKUTA; Hiroyuki HIGUCHI; Tatsuya ASAI
IPC 분류
CPC 분류
A computer-readable recording medium stores therein an information processing program for causing a computer to execute a process comprising: obtaining a three-dimensional model representing an arrangement of a plurality of atoms that form a catalyst containing an atom of a first metal; when the obtained three-dimensional model is a repetition of spaces in which a certain pattern of atomic arrangement appears in a first direction, selecting from the obtained three-dimensional model, any of the spaces in which the certain pattern of atomic arrangement appears; identifying one or more atoms at least partially included in the selected any of the spaces; and determining, from among the identified one or more atoms of the obtained three-dimensional model, a first atom to be replaced with a second atom of a second metal different from the first metal, or an adsorption position of an adsorbate.
원문 (중국어)
A computer-readable recording medium stores therein an information processing program for causing a computer to execute a process comprising: obtaining a three-dimensional model representing an arrangement of a plurality of atoms that form a catalyst containing an atom of a first metal; when the obtained three-dimensional model is a repetition of spaces in which a certain pattern of atomic arrangement appears in a first direction, selecting from the obtained three-dimensional model, any of the spaces in which the certain pattern of atomic arrangement appears; identifying one or more atoms at least partially included in the selected any of the spaces; and determining, from among the identified one or more atoms of the obtained three-dimensional model, a first atom to be replaced with a second atom of a second metal different from the first metal, or an adsorption position of an adsorbate.