9 research outputs found
Melting curve and Hugoniot of molybdenum up to 400 GPa by ab initio simulations
We report ab initio calculations of the melting curve and Hugoniot of
molybdenum for the pressure range 0-400 GPa, using density functional theory
(DFT) in the projector augmented wave (PAW) implementation. We use the
``reference coexistence'' technique to overcome uncertainties inherent in
earlier DFT calculations of the melting curve of Mo. Our calculated melting
curve agrees well with experiment at ambient pressure and is consistent with
shock data at high pressure, but does not agree with the high pressure melting
curve from static compression experiments. Our calculated P(V) and T(P)
Hugoniot relations agree well with shock measurements. We use calculations of
phonon dispersion relations as a function of pressure to eliminate some
possible interpretations of the solid-solid phase transition observed in shock
experiments on Mo.Comment: 8 pages, 6 figure
Factors related with symptom duration until diagnosis and treatment of symptomatic colorectal cancer
Optimising the use of electronic health records to estimate the incidence of rheumatoid arthritis in primary care:what information is hidden in free text?
Primary care databases are a major source of data for epidemiological and health services research. However, most studies are based on coded information, ignoring information stored in free text. Using the early presentation of rheumatoid arthritis (RA) as an exemplar, our objective was to estimate the extent of data hidden within free text, using a keyword search