Computer-Controlled X-Ray and Neutron Diffraction Experiments

1971 ◽  
Vol 15 ◽  
pp. 70-89
Author(s):  
Melvin H. Mueller

The use of on-line computers for control and acquisition of data from x-ray and neutron diffractometers has continuously improved and expanded. Systems vary from a small 4K core computer to a time-sharing system with a medium or large computer. The choice of a single time-shared computer or an individual standalone system must be based on one's own particular environment. As large high-speed electronic computers became available, increasingly complex chemical and magnetic structures have been analysed and solved; this has created a demand for rapid, reliable, and versatile means of obtaining diffraction data. Since small computers have been developed at reduced cost and with increased storage capacity, they must be considered for use in diffraction experimentation. Therefore, in x-ray and neutron scattering, small computers are needed for data acquisition and large computers are needed for data analysis.

1971 ◽  
Vol 15 ◽  
pp. 114-122 ◽  
Author(s):  
Annin Segmüller

An IBM 1800 time-sharing system is used in our X-ray laboratory to control a four-circle diffractometer for structure research, several powder diffractometers, a pole-figure goniometer and a microdensitometer along with other instruments outside the diffraction area. A survey of the computer system is given and the hardware necessary to automate the diffractometers is discussed. The computer supervision ranges from simple data-logging with a minimum of control to complete control of all actions depending on the diffractometer and the requirements of the experiment. Also described is the use of the computer to process the data and to perform background jobs.


1972 ◽  
Vol 16 ◽  
pp. 344-353 ◽  
Author(s):  
Carol J. Kelly ◽  
E. Eichen

AbstractThe system to be described includes hardware and software for the on-line computer control of the X-ray diffraction measurement of residual stress. This determination involves accurately measuring the angles at which a back-reflection line is diffracted, first by diffracting planes parallel to the sample surface, and then by planes at an angle (ψ) to the sample surface. The residual stress is calculated from the difference in the two measured diffraetion angles. The procedure executed by the computer consists of locating the peaks, selecting three angles for collection of X-ray counts, correcting the measured counts, fitting the equi-angular intensity measurements to a three-point parabola, calculating the peak angles, calculating the residual stress from the measured angles and typing a report. This automation has eliminated the tedium of the manual X-ray data accumulation and of the residual stress calculation. The online control has also permitted improvements in the technique not practicable with the manually performed measurement of residual stress.


1977 ◽  
Vol 21 ◽  
pp. 193-205
Author(s):  
M. Hifetala ◽  
J. Viitanen

A distributed on-line analyzing system has been developed for automatic multielemental analysis of mineral slurries and solutions. The elements to be measured should be heavier than potassium. The system consists of measuring probes, a communication loop and a minicomputer with its peripherals. The measuring probe may either be directly immersed into the process stream or it is used with a sample cell in a by-line stream. Measuring probes are located at separate positions in the process. The measurement is based on X-ray fluorescence radiation which is excited with a sealed radioisotope source. The radiation is detected with a sealed high resolution proportional counter without filters. Spectrum stripping is based on reference samples which are measured in a computer controlled sequence in the same geometry as the sample. Thus possible instabilities in gain and resolution are under control. Chemical assays and slurry density are calculated from fluorescence and backscatter intensities. The minicomputer also controls the probes in the system and gives reports.


1993 ◽  
Vol 37 ◽  
pp. 1-6
Author(s):  
Ron Jenkins

In these modern times, where the use of the computer in the analytical laboratory is taken for granted, it is perhaps difficult to realize that, less than one generation ago, computers were little more than an idea on an engineer's desk. It is interesting to note the sequence in which the automation of data collection and data processing developed. As would be expected, the time sequence followed closely the developments in computer hardware and peripherals. An important factor in the development of most commercial automated systems was the “20%” rule. This rule required that the total cost of any computer package should not exceed 20% of the sale price of the final automated product. Rex's “Numerical Control Powder Diffractometer” was described in the 1966 Denver Conference and this machine was to be the forerunner of a whole host of automated diffractometers which appeared in the early 1970s. Typical systems used either a 4K minicomputer or a time-sharing system with a large main-frame computer. It is interesting to observe that, as we come into the 1990s, the argument as to whether the main-frame will survive as a viable alternative to the rapidly developing PC still goes on.


Author(s):  
Jaime R. Carbonell ◽  
Jerome I. Elkind ◽  
Raymond S. Nickerson

One of the most important problems in the design and/or operation of a computer utility is to obtain dynamical characteristics that are acceptable and convenient to the on-line user. This paper is concerned with the problems of access to the computer utility, response time and its effect upon conversational use of the computer, and the effects of load on the system. Primary attention is placed upon response time; rather than a single measure, a set of response times should be measured in a given computer utility, in correspondence to the different types of operations requested. It is assumed that the psychological value of short response time stems from a subjective cost measure of the user's own time, largely influenced by the value of concurrent tasks being postponed. A measure of cost (to the individual and/or his organization) of the time-on-line required to perform a task might thus be derived. More subtle is the problem of the user's acceptability of given response times. This acceptability is a function of the service requested (e.g., length of computation), and variability with respect to expectations due both to uncertainty in the user's estimation and to variations in the response time originated by variable loads on the system. An effort should be made by computer-utility designers to include dynamic characteristics (such as prediction of loads and their effects) among their design specifications.


1987 ◽  
Vol 20 (3) ◽  
pp. 235-242 ◽  
Author(s):  
M. Blum ◽  
P. Metcalf ◽  
S. C. Harrison ◽  
D. C. Wiley

A system for collecting and measuring X-ray diffraction data from protein crystals has been developed for a multiwire area detector. Computer programs run concurrently on two microcomputers, which collect and reduce detector data to integrated intensities. The self-contained system consists of an X-ray area detector, a rotation/oscillation camera, and two microcomputers connected by a high-speed Ethernet network. One microcomputer is dedicated to operation of the detector, control of the camera, and storage of the raw data. The second microcomputer automatically integrates the data as they are collected and allows the user to monitor the quality of data as they are processed. The integration programs are written in Fortran 77 and have been designed to be portable. Additional programs for crystal alignment, detector and camera control, and graphics are written in the C programming language. A description of the system, some characteristics of the detector, and the results of data collection are presented.


2013 ◽  
Vol 62 (1) ◽  
pp. 8-12 ◽  
Author(s):  
Hirokazu NISHIMURA ◽  
Masaki SEI ◽  
Kenji CHIZUKA ◽  
Masato MASUDA ◽  
Hitoshi YAMAZAKI ◽  
...  

1999 ◽  
Vol 572 ◽  
Author(s):  
P. J. Wellmann ◽  
M. Bickermann ◽  
M. Grau ◽  
D. Hofmann ◽  
T. L. Straubinger ◽  
...  

ABSTRACTAn advanced method based on x-ray imaging is presented which allows us to visualize the ongoing processes during physical vapor transport (PVT) growth of SiC. Using a high resolution and high speed x-ray imaging detector based on image plates and digital recording we are able to follow the SiC bulk single crystal growth as well as the evolution of the SiC powder source inside the inductively heated graphite crucible on-line and quasi-continuously.


1979 ◽  
Vol 23 ◽  
pp. 57-63
Author(s):  
F. V. Brown ◽  
S. A. Jones

The x-ray system used was a Columbia Scientific Industries Corporation Portable X-Ray Fluorescence Analyzer Minilab 700 with a ten millicurie curium 244 source. This source was chosen instead of the available 30mCi Pu-238 or the 30mCi Cm-244 source because it could be supplied under a general radioactivity materials license. The XRF analyzer could be powered by a variety of power supplies, either AC or DC. All data were evaluated and best curves were selected utilizing the Honeywell Time Sharing System. Programs from the statistical library were used with minor modifications.


1979 ◽  
Vol 23 ◽  
pp. 287-293 ◽  
Author(s):  
W. N. Schreiner ◽  
Ron Jenkins

Modern (>1950) data analysis techniques are commonly applied in many scientific fields but their careful application in other fields, including X-Ray diffraction, has been notably lacking or generally confined to the environment of university research. Perhaps this lack of widespread application in XRD can be blamed on the absence of sophisticated computer controlled instrumentation, and, if this is so, the situation should change rapidly, since today's automated diffractometers are driven by very powerful minicomputers with large firm disks and sophisticated operating systems. In such an environment it is entirely practical to implement, on-line, state-of- the-art data analysis techniques, and in this paper we present one such example.


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