Title :dMOTTcs Keywords :Sputtering,Defects,Displacement Damage,EELS,XEDS,HVEM Computer :DEC VAX 11/785 Operating System :VAX/VMS Programming Language :VAX Fortran V4.0 Hardware Requirements :None Author(s) :Charles R. Bradley Correspondence Address :Argonne Nat. Lab, Electron Microscopy Center, Bldg 212 :Materials Science Division, Argonne, Illinois 60439, USA Description :Outline/Description and the purpose of the code. Version: 1.0 Purpose: This program calculates differential Mott cross-sections of elemental nuclei in collisions with relativistic electrons. These cross-sections are useful in the study of displacement damage and electron transmission sputtering. For medium and high voltage transmission electron microscopes now available, having clean vacuum systems and high brightness sources, modification of sample composition due to sputtering and/or displacement by the probe will become an important consideration during microanalysis or imaging. References: McKinley & Feshbach Phys Rev 74,1759(1948) Feshbach Phys Rev 88,295(1952) Doggett & Spencer Phys Rev 103,1597(1956) O. S. Oen CROSS-SECTIONS FOR ATOMIC DISPLACEMENTS IN SOLIDS BY FAST ELECTRONS ORNL Report # TM-4897,(1973) T. J. I'A Bromwich AN INTRODUCTION TO THE THEORY OF INFINITE SERIES, 2nd ed. Macmillan 1955 Francis Scheid NUMERICAL ANALYSIS Schaum's Outline Series McGraw Hill Book Co. 1968 Abromowitz and Stegun HANDBOOK OF MATHEMATICAL FUNCTIONS Dover, New York 1972 James W. Corbett ELECTRON RADIATION DAMAGE IN SEMICONDUCTORS AND METALS in: Solid State Physics Advances in Research and Applications Supplement 7, Ed. Frederick Seitz and David Turnbull Academic Press, New York 1966 Compilation Procedure: Using VAX-Fortran compiler 1. Rename file to dMOTTcs.FOR 2. At DCL prompt type FORTRAN/EXTEND/NOF77 dMOTTcs Linking Procedure: At DCL prompt type LINK dMOTTcs Input/Output: UNIT 5 input TT: UNIT 7 output TT: UNIT 2 output (to be assigned) Test Data: This routine is designed to read input from the keyboard General Comments: Subroutines and function subprograms required are included in the listing. Amoung those included are: D which returns coefficients in the legendre expansions which express the cross-section. EULER which preforms an euler transformation of an alternating series and returns the sum of the series. LGDRE which returns legendre polynomials. LNGAM which returns the complex value of the log of a gamma function with complex arguments SIGMR which returns the ratio of the Mott cross-section to the Rutherford Cross-section. Sample run: prompt>assign test.out for002 %DCL-I-SUPERSEDE, previous value of FOR002 has been superseded prompt>run dmottcs Atomic Number of target: 13. Accelerating Voltage (kV): 100. One or two minutes will be required before the prompt is displayed again. Output is directed to the file named TEST.OUT Sample Output: The following is output generated by the above sample input which corresponds to Al Atomic number of target = 13. Accelerating Voltage(kV) = 100.000 differential Mott CS Angle Ratio = ----------------- diff Rutherford CS 0.000 1.00000 5.000 1.00616 10.000 1.01151 15.000 1.01527 20.000 1.01742 25.000 1.01795 30.000 1.01680 35.000 1.01399 40.000 1.00958 45.000 1.00362 50.000 0.99619 55.000 0.98739 60.000 0.97732 65.000 0.96612 70.000 0.95389 75.000 0.94079 80.000 0.92694 85.000 0.91251 90.000 0.89763 95.000 0.88246 100.000 0.86716 105.000 0.85187 110.000 0.83675 115.000 0.82195 120.000 0.80759 125.000 0.79384 130.000 0.78080 135.000 0.76861 140.000 0.75738 145.000 0.74721 150.000 0.73820 155.000 0.73044 160.000 0.72398 165.000 0.71890 170.000 0.71524 175.000 0.71302 179.990 0.71228