Browsing Research Articles (University of Pretoria) by Author "Chetty, Nithaya"

Browsing Research Articles (University of Pretoria) by Author "Chetty, Nithaya"

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  • Material progress in Africa 
    Chetty, Nithaya; Martin, Richard M., 1942-; Scandolo, Sandro (Nature Publishing Group, 2010-11)
    Exciting opportunities are emerging for science and scientists in Africa. There is a vast pool of latent talent that can be a vital source of advancement and cooperation that has the potential to overcome barriers within ...
  • Mechanical properties of graphene and boronitrene 
    Andrew, Richard Charles; Mapasha, Refilwe Edwin; Ukpong, Aniekan M.; Chetty, Nithaya (American Physical Society, 2012-03)
    Please read abstract in the article.
  • Mechanical properties of hydrogenated bilayer graphene 
    Andrew, Richard Charles; Mapasha, Refilwe Edwin; Chetty, Nithaya (AIP Publishing LLC, 2013)
    Using first principles methods, we study the mechanical properties of monolayer and bilayer graphene with 50% and 100% coverage of hydrogen. We employ the vdW-DF, vdW-DF-C09x and vdW-DF2-C09x van der Waals functionals ...
  • Modification of the band offset in boronitrene 
    Obodo, K.O. (Kingsley Onyebuchi); Andrew, Richard Charles; Chetty, Nithaya (American Physical Society, 2011)
    Using density functional methods within the generalized gradient approximation implemented in the QUANTUM ESPRESSO codes, we modify the band offset in a single layer of boronitrene by substituting a double line of carbon ...
  • New modalities for scientific engagement in Africa - the case for computational physics 
    Chetty, Nithaya (Elsevier, 2011-09)
    Computational physics as a mode of studying the mathematical and physical sciences has grown worldwide over the past two decades, but this trend is yet to fully develop in Africa. The essential ingredients are there for ...
  • The practical teaching of quantum mechanics 
    Chetty, Nithaya (IOP Publishing Limited, 2020)
    The author teaches introductory quantum mechanics to third-year students at the University of Pretoria. Quantum mechanics is without a doubt one of the most challenging topics in the physics curriculum. It has been described ...
  • Probing the extensive nature of entropy 
    Salagaram, Trisha; Chetty, Nithaya (IOP Publishing Limited, 2013-11-21)
    We have devised a general numerical scheme applied to a system of independent, distinguishable, non-interacting particles, to demonstrate in a direct manner the extensive nature of statistical entropy. Working within the ...
  • Schooling Africa : computational materials science education and research 
    Chetty, Nithaya; Martin, M.N. (IOP Publishing Limited, 2020)
    The African School of Electronic Structure Methods and Applications (ASESMA) [1 – 7] is a series of workshops held every two years in different sub-Saharan countries, designed to foster a collaborative network for research ...
  • Simplified pseudopotential problems for the classroom 
    Salagaram, Trisha; Andrew, Richard Charles; Chetty, Nithaya (Institute of Electrical and Electronics Engineers, 2015-01)
    Ab initio methods have been used for many decades to accurately predict properties of solids such as the physical, electronic, optical, magnetic, and elastic properties. A generation ago, many research groups developed ...
  • Theoretical investigation of the stability of crystalline silicon dicarbide 
    Andrew, Richard Charles; Braun, Max Willi Hermann; Chetty, Nithaya (Elsevier, 2012-04)
    While Si, C and SiC are very well known materials that have been extensively studied in their multitude of structures and allotropes, there is, surprisingly, a dearth of reliable information for off-50:50 compounds involving ...
  • A theoretical study of thorium titanium-based alloys 
    Obodo, K.O. (Kingsley Onyebuchi); Chetty, Nithaya (Elsevier, 2013)
    Using theoretical quantum chemical methods, we investigate the dearth of ordered alloys involving thorium and titanium. Whereas both these elements are known to alloy very readily with various other elements, for example ...
  • Universities in a time of change 
    Chetty, Nithaya (Academy of Science of South Africa, 2009-10)
    A casual glance at universities around the world quickly reveals that they are actually not at all as universal as the term ‘university’ might imply, as universities show enormous differences in ethos, standards, cultures, ...
  • Van der Waals density-functional study of 100% hydrogen coverage on bilayer graphene 
    Mapasha, Refilwe Edwin; Andrew, Richard Charles; Chetty, Nithaya (Elsevier, 2013-10)
    We investigate all hydrogen configurations that exist in a 1 1 unit cell of bilayer graphene at 100% coverage to find the low energy competing configurations using density functional theory (DFT). Other unique ...