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VERSION:2.0
PRODID:-//University of Liverpool Computer Science Seminar System//v2//EN
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DTSTAMP:20260922T101236Z
UID:Seminar-MIF-1401@lxserverM.csc.liv.ac.uk
ORGANIZER:CN=Othon Michail:MAILTO:Othon.Michail@liverpool.ac.uk
DTSTART:20230210T140000
DTEND:20230210T150000
SUMMARY:MIF Series
DESCRIPTION:Danny Ritchie: Exploiting Powder X-ray Diffraction techniques for automated phase isolation in the laboratory.\n\nA chemical composition consisting of n elements can be represented as Euclidean, where the components give the relative amount of each element. Consider an experimentally prepared composition s that has been heated such that it reaches thermodynamic equilibrium. At equilibrium it will decompose into a set of phases {p}. A ubiquitous method for the identification of new phases is to trial an arbitrary s in the hope that a p is formed which is new. The problem that this work aims to address is how to find the composition of the new p. The {p} are separated into the new phase, denoted u, and the known phases, denoted {k}. Powder X-Ray Diffraction (PXRD) is an experimental technique that can be used to estimate the relative ratios of {k}, and so the average composition of the {k} can be calculated; K. The importance of this is that s will be a weighted average of u and K, and so u will lie on the line segment extending from s away from K. Unfortunately the estimation of the relative ratios from PXRD is not exact, and so rather than being a point, K must be represented as a random variable. Assuming the distribution of K to be Gaussian, the induced probability density for u is estimated by a projection of K through s.\n\n\nhttps://www.csc.liv.ac.uk/research/seminars/abstract.php?id=1401
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