Fwd: Re: [sdpd] Pt cell parameters versus temperature

2007-01-09 Thread Andy Fitch
The thermal evolution of the lattice parameters 
of Pt was discussed in 2005 on the SDPD list. One of the replies follows.


Andy



Subject:  Re: [sdpd] Pt cell parameters versus temperature
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Date: Thu, 13 Oct 2005 09:10:31 -0700 (PDT)
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Dear Guilhem,
on answer to your interest in the lattice parameters
of platinum for high temperature:
T(C)  a(A)
25  3.924
171.7  3.930
350.6  3.935
459.3  3.939
586.7  3.944
698.2  3.948
797.7  3.952
904.9  3.957
960.7  3.959
1027.5  3.962
1104.8  3.966
1154.3  3.969
1233.5  3.973
1267.1  3.975
1293.0  3.977
1300.8  3.978
1339.5  3.980

The uncertainty of values have been found ca. 0.001 A
approximately. These data were taken from preprint of
Bouchaib Manoun, Surendra K. Saxena, and Hanns-Peter
Liermann Thermal Expansion of Polycrystalline Ti3SiC2
in the 251–14001C Temperature Range J. Am. Ceram.
Soc., 00 [0] x–x (2005).
Also I can recommend to see:
1.
http://nvl.nist.gov/pub/nistpubs/jres/091/6/V91-6.pdfhttp://nvl.nist.gov/pub/nistpubs/jres/091/6/V91-6.pdf
2. James W. Edwards, Rudolph Speiser, and Herrick L.
Johnston  High Temperature Structure and Thermal
Expansion of Some Metals as Determined by X-Ray
Diffraction Data. I. Platinum, Tantalum, Niobium, and
Molybdenum Journal of Applied Physics -- April 1951 --
Volume 22, Issue 4, pp. 424-428
3. G K White Thermal expansion of platinum at low
temperatures J. Phys. F: Met. Phys. 2 L30-L31

You can calculate thermal dependence of lattice
parameters from the thermal dependence of expansion
coefficient presented in Refs. 13 via V-T equation of
state:
a(T)=a(T0)*exp(int(alpha(x),dx,T0,T)),
where a(T0) means the known lattice parameter at fixed
temperature T0, alpha(T) - thermal expansion
coefficient, int(alpha(x),dx,T0,T) - integration of
thermal expansion coefficient alpha(x) over x from T0
to temperature T.

Good luck,
Anatoliy Senyshyn

--- Guilhem DEZANNEAU [EMAIL PROTECTED]
wrote:

 Hello

 i am searching for Platinum cell parameters
 evolution
 versus temperature.

 thanks a lot

 Guilhem








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atomic displacement parameters

2007-01-09 Thread Stefan Berger
Dear all,
 
is there any software available to transform ßij to Uij and Bij and to 
calculate Uiso and Biso?
 
Thanks in advance,
 
Stefan Berger