Theoretical description of pressure-induced phase transitions: A case study of Ti-V alloys
MetadataShow full item record
We discuss theoretical description of pressure-induced phase transitions by means of first-principles calculations in the framework of density functional theory. We illustrate applications of theoretical tools that allow one to take into account configurational and vibrational disorders, considering Ti-V alloys as a model system. The universality of the first-principles theory allows us to apply it in studies of different phenomena that occur in the Ti-V system upon compression. Besides the transitions between different crystal structures, we discuss isostructural transitions in bcc Ti-V alloys. Moreover, we present arguments for possible electronic transitions in this system, which may explain peculiar behaviour of elastic properties of V upon compression.
Showing items related by title, author, creator and subject.
Comparison between Nasal Swabs and Nasopharyngeal Aspirates for, and Effect of Time in Transit on, Isolation of Streptococcus pneumoniae, Staphylococcus aureus, Haemophilus influenzae, and Moraxella catarrhalisCarville, K.; Bowman, J.; Lehmann, Deborah; Riley, T. (2007)pmc logo image Logo of jcm Note: Performing your original search, comparison nasal swabs lehmann, in PubMed Central will retrieve 7 citations. Journal List > J Clin Microbiol > v.45(1); Jan 2007 Abstract ...
Factors affecting student adjustment as they transition from primary to secondary school: a longitudinal investigationVaz, Sharmila Maria Agnella (2010)Transition from primary to secondary school occurs during the developmental period of early adolescence. Mixed findings exist across the literature on the effects of transition on student adjustment outcomes. This has led ...
“Leaps of faith”: parents' and professionals' viewpoints on preparing adolescents on the autism spectrum for leaving schoolHatfield, Megan; Falkmer, Marita; Falkmer, Torbjorn; Ciccarelli, Marina (2017)Adolescents on the autism spectrum experience difficulty transitioning from secondary school to post-school activities, often due to transition planning processes that do not meet their unique needs. This study identified ...