CRYSTAL PHASE IDENTIFICATION METHOD, CRYSTAL PHASE IDENTIFICATION DEVICE, AND X-RAY DIFFRACTION MEASUREMENT SYSTEM

• Main Authors: IKEDA YUKIKO, HIMEDA AKIHIRO, NAGAO KEIGO
• Format: Patent
• Language: English; Japanese
• Published: 30.11.2017
• Subjects: INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES; MEASURING; PHYSICS; TESTING

PROBLEM TO BE SOLVED: To improve analysis accuracy by accurately retrieving crystal phase candidates in identification of crystal phases.SOLUTION: Crystal phases included in a sample are identified from X-ray diffraction data on the sample in which data on a plurality of ring-like diffraction patterns are included by using a database in which pieces of data on peak positions and ratio of peak intensity respectively of X-ray diffraction patterns for a plurality of crystal phases are registered. The peak positions and the peak intensity are detected for the plurality of diffraction patterns from the X-ray diffraction data (a step 102) to create pieces of data on angle to intensity in a peripheral direction of the respective diffraction patterns (a step 103). Then, the respective diffraction patterns are grouped into a plurality of clusters based on the data on the angle to intensity in the peripheral direction (a step 105). Then, crystal phase candidates included in the sample are retrieved from the database based on a set of the peak positions and ratio of the peak intensity respectively of the diffraction patterns grouped into the same cluster (a step 106).SELECTED DRAWING: Figure 3 【課題】結晶相の同定において、結晶相候補の検索を精度良く行って、分析精度を向上させる。【解決手段】複数の結晶相についての、Ｘ線回折パターンのピーク位置及びピーク強度比のデータが登録されたデータベースを用いて、複数のリング状の回折パターンのデータが含まれる試料のＸ線回折データから、試料に含まれる結晶相を同定する。Ｘ線回折データから、複数の回折パターンについて、ピーク位置及びピーク強度を検出し（ステップ１０２）、各回折パターンの周方向の角度対強度のデータを作成する（ステップ１０３）。そして、各回折パターンを、周方向の角度対強度のデータに基づいて、複数のクラスタに組分けする（ステップ１０５）。そして、同じクラスタに組分けした回折パターンのピーク位置及びピーク強度比の組に基づいて、データベースから試料に含まれる結晶相候補を検索する（ステップ１０６）。【選択図】図３