A development of the system for analysing X-ray whole-powder-data without using a structural model
| Project/Area Number |
61470051
|
|---|
| Research Category |
Grant-in-Aid for General Scientific Research (B)
|
| Allocation Type | Single-year Grants |
|---|
| Research Field |
鉱物学(含岩石・鉱床学)
|
|---|
| Research Institution | Nagaya Institute of Technology |
|---|
Principal Investigator |
TORAYA Hideo Nagoya Institute of Technology, 工学部, 助教授 (20143662)
|
|---|
| Project Period (FY) |
1986 – 1987
|
| Project Status |
Completed (Fiscal Year 1987)
|
| Budget Amount *help |
¥4,200,000 (Direct Cost: ¥4,200,000)
Fiscal Year 1987: ¥600,000 (Direct Cost: ¥600,000)
Fiscal Year 1986: ¥3,600,000 (Direct Cost: ¥3,600,000)
|
|---|
| Keywords | X-ray powder diffraction pattern / Pattern-fitting technique / Refinement of unit cell parameters / Profile model / 32-bit personal computer / 解析の自動化 / 32ビットパーソナルコンピューター / X線粉末回折法 |
|---|
| Research Abstract |
The system for analyzing X-ray powder diffraction data has been developed. Is is based on the procedure developed for analyzing neutron powder diffraction data by G.S.Pawley (J.Appl.Cryst.,14,357-361,1981).The procedure has been applied to the data analysis in X-ray powder diffraction.The system can decompose overlapping reflections into individual ones,and give integrated intensities and individual profile shapes as a function of diffraction angle. It can further refine unit cell parameters.The analysis can be performed without using a structural model.Thus structural knowledges are not required for system users.If the sample contains a internal standard material,the peak shift due to instrumental and specimen causes can be corrected automatically during the profile refinement.During 2 years of the research project,1) the system was designed,2)the profile model for X-ray powder diffraction data has been developed,3) the computer program was written Fortran statements,and 4)the system was tested for various samples.The system demonstrated that1)it has a high resolving power for decomposing overlapping reflections compared to the convevtional profile fitting technique,2) it has high cost-performance since the whole powder pattern is refined automatically, and 3)it can provied high accuracy in refined parameters. The future system should be improved in some respects;1) a further improvement of automation of analysis,and 2) toughening against the bad conditioning of the least squares refinement.
|
Report
(2 results)
Research Products
(9 results)
