Browsing Research Articles (Physics) by Title

Browsing Research Articles (Physics) by Title

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  • A first principle hybrid functional calculation of TmGe 3+-VGe defect complexes in germanium 
    Igumbor, Emmanuel; Mapasha, Refilwe Edwin; Andrew, Richard Charles; Meyer, Walter Ernst (Elsevier, 2016-09)
    By means of density functional theory (DFT), using the screened Heyd, Scuseria, and Ernzerhof (HSE06) hybrid functional we present results of the Tm3+Ge-VGe defect complexes in germanium (Ge). The formation energies of ...
  • First principle study of ATiO 3 (A=Ti,Sr) materials for photovoltaic applications 
    Allan, Lynet; Mulwa, Winfred M.; Mapasha, Refilwe Edwin; Mwabora, Julius M.; Musembi, Robinson J. (Springer, 2024-01)
    Please read abstract in the article.
  • First principles calculations of pentaheptite graphene and boronitrene derivatives 
    Molepo, Mahlanga P.; Mapasha, Refilwe Edwin; Obodo, K.O. (Kingsley Onyebuchi); Chetty, Nithaya (Elsevier, 2014-09)
    We perform first principles density functional calculations to study the stability, structural and electronic properties of pentaheptite graphene and boronitrene derivatives. These systems are comprised of an infinite ...
  • First principles LDA+U and GGA+U study of protactinium and protactinium oxides : dependence on the effective U parameter 
    Obodo, K.O. (Kingsley Onyebuchi); Chetty, Nithaya (Institute of Physics, 2013-04-10)
    The electronic structure and properties of protactinium and its oxides (PaO and PaO2) have been studied within the framework of the local density approximation (LDA), the Perdew–Burke–Ernzerhof generalized gradient ...
  • First principles molecular dynamics study of nitrogen vacancy complexes in boronitrene 
    Ukpong, Aniekan M.; Chetty, Nithaya (IOP Publishing, 2012-06)
    We present the results of first principles molecular-dynamics simulations of nitrogen vacancy complexes in monolayer hexagonal boron nitride. The threshold for local structure reconstruction is found to be sensitive to the ...
  • First principles study of van der Waals heterobilayers 
    Ukpong, Aniekan M. (Elsevier, 2015-03)
    This paper presents a comparative first principles study of van derWaals heterobilayers derived from the coupling of graphene to silicon carbide and hexagonal boron nitride monolayer. Using the local, semilocal, and van ...
  • First Sagittarius A Event Horizon Telescope results. III. Imaging of the Galactic center supermassive black hole 
    Akiyama, Kazunori; Alberdi, Antxon; Alef, Walter; Algaba, Juan Carlos; Anantua, Richard; Asada, Keiichi; Azulay, Rebecca; Bach, Uwe; Baczko, Anne-Kathrin; Ball, David; Balokovic, Mislav; Barrett, John; Baubock, Michi; Benson, Bradford A.; Bintley, Dan; Blackburn, Lindy; Blundell, Raymond; Bouman, Katherine L.; Bower, Geoffrey C.; Boyce, Hope; Bremer, Michael; Brinkerink, Christiaan D.; Brissenden, Roger; Britzen, Silke; Broderick, Avery E.; Broguiere, Dominique; Bronzwaer, Thomas; Bustamante, Sandra; Byun, Do-Young; Carlstrom, John E.; Ceccobello, Chiara; Chael, Andrew; Chan, Chi-kwan; Chatterjee, Koushik; Chatterjee, Shami; Chen, Ming-Tang; Chen (陈永军), Yongjun; Cheng, Xiaopeng; Cho, Ilje; Christian, Pierre; Conroy, Nicholas S.; Conway, John E.; Cordes, James M.; Crawford, Thomas M.; Crew, Geoffrey B.; Cruz-Osorio, Alejandro; Cui, Yuzhu; Davelaar, Jordy; De Laurentis, Mariafelicia; Deane, Roger (IOP Publishing, 2022-05-10)
    We present the first event-horizon-scale images and spatiotemporal analysis of Sgr A* taken with the Event Horizon Telescope in 2017 April at a wavelength of 1.3 mm. Imaging of Sgr A* has been conducted through surveys ...
  • First Sagittarius A Event Horizon Telescope results. IV. Variability, morphology, and black hole mass 
    Akiyama, Kazunori; Alberdi, Antxon; Alef, Walter; Algaba, Juan Carlos; Anantua, Richard; Asada, Keiichi; Azulay, Rebecca; Bach, Uwe; Baczko, Anne-Kathrin; Ball, David; Balokovic, Mislav; Barrett, John; Baubock, Michi; Benson, Bradford A.; Blackburn, Lindy; Blundell, Raymond; Bower, Geoffrey C.; Boyce, Hope; Bremer, Michael; Brinkerink, Christiaan D.; Brissenden, Roger; Britzen, Silke; Broderick, Avery E.; Broguiere, Dominique; Bronzwaer, Thomas; Bustamante, Sandra; Byun, Do-Young; Carlstrom, John E.; Ceccobello, Chiara; Chael, Andrew; Chan, Chi-kwan; Chatterjee, Koushik; Chatterjee, Shamiuntranslated; Chen, Ming-Tang; Chen (陈永军), Yongjun; Cheng, Xiaopeng; Cho, Ilje; Christian, Pierre; Conroy, Nicholas S.; Conway, John E.; Cordes, James M.; Crawford, Thomas M.; Crew, Geoffrey B.; Cruz-Osorio, Alejandro; Cui, Yuzhu; Davelaar, Jordy; De Laurentis, Mariafelicia; Deane, Roger (IOP Publishing, 2022-05-10)
    Please read abstract in the article.
  • First Sagittarius A Event Horizon Telescope results. VI. Testing the black hole metric 
    Akiyama, Kazunori; Alberdi, Antxon; Alef, Walter; Algaba, Juan Carlos; Anantua, Richard; Asada, Keiichi; Azulay, Rebecca; Bach, Uwe; Baczko, Anne-Kathrin; Ball, David; Balokovic, Mislav; Barrett, John; Baubock, Michi; Benson, Bradford A.; Bintley, Dan; Blackburn, Lindy; Blundell, Raymond; Bouman, Katherine L.; Bower, Geoffrey C.; Boyce, Hope; Bremer, Michael; Brinkerink, Christiaan D.; Brissenden, Roger; Britzen, Silke; Broderick, Avery E.; Broguiere, Dominique; Bronzwaer, Thomas; Bustamante, Sandra; Byun, Do-Young; Carlstrom, John E.; Ceccobello, Chiara; Chael, Andrew; Chan, Chi-kwan; Chatterjee, Koushik; Chatterjee, Shami; Chen, Ming-Tang; Chen (陈永军), Yongjun; Cheng, Xiaopeng; Cho, Ilje; Christian, Pierre; Conroy, Nicholas S.; Conway, John E.; Cordes, James M.; Crawford, Thomas M.; Crew, Geoffrey B.; Cruz-Osorio, Alejandro; Cui, Yuzhu; Davelaar, Jordy; De Laurentis, Mariafelicia; Deane, Roger (IOP Publishing, 2022-05-10)
    Astrophysical black holes are expected to be described by the Kerr metric. This is the only stationary, vacuum, axisymmetric metric, without electromagnetic charge, that satisfies Einstein’s equations and does not ...
  • First-principles studies of chromium line-ordered alloys in a molybdenum disulfide monolayer 
    Andriambelaza, Noeliarinala Felana; Mapasha, Refilwe Edwin; Chetty, Nithaya (IOP Publishing, 2017-08)
    Density functional theory calculations have been performed to study the thermodynamic stability, structural and electronic properties of various chromium (Cr) line-ordered alloy configurations in a molybdenum disulfide ...
  • First-principles studies of SnS2, MoS2 and WS2 stacked van der Waals hetero-multilayers 
    Mabiala-Poaty, H.B.; Douma, D.H.; Malonda-Boungou, B.R.; Mapasha, Refilwe Edwin; M'Passi-Mabiala, B. (Elsevier, 2018-09)
    We present the energetics, structural and electronic properties of SnS2 monolayer stacked with MoS2 and WS2 monolayers making the van der Waals hetero-layers using the first-principles methods. The exchange-correlation ...
  • First-principles studies of Te line-ordered alloys in a MoS2 monolayer 
    Andriambelaza, Noeliarinala Felana; Mapasha, Refilwe Edwin; Chetty, Nithaya (Elsevier, 2018-04)
    The thermodynamic stability, structural and electronic properties of Te line-ordered alloys are investigated using density functional theory (DFT) methods. Thirty four possible Te line-ordered alloy configurations are found ...
  • First-principles study of the impact of hydrogen passivation on the charge state transition levels of the CiOi(Sii)n defect complexes in silicon 
    Abdurrazaq, Abdulgaffar; Raji, Abdulrafiu T.; Meyer, Walter Ernst (Springer, 2020-11)
    Please read abstract in the article.
  • Flow fluctuation during flow boiling of binary mixtures in high aspect ratio microchannel 
    Widyatama, Arif; Venter, Mandi; Bin Mohamad, Muhammad Sofwan; Dirker, Jaco; Orejon, Daniel; Sefiane, Khellil (IOP Publishing, 2023)
    Flow boiling performance is affected by several factors, such as channel characteristics and working fluid types. It is found that there is still limited study that discusses the use of binary mixtures combined with high ...
  • Formation of chemical compound layer at the interface of initial substances A and B with dominance of diffusion of the A atoms 
    Selyshchev, Pavel; Akintunde, S.O. (Samuel) (World Academy of Science, Engineering and Technology, 2014)
    A theoretical approach to consider formation of chemical compound layer at the interface between initial substances A and B due to the interfacial interaction and diffusion is developed. It is considered situation when ...
  • Formation of color centers and concentration of defects in boron carbide irradiated at low gamma radiation doses 
    Mirzayev, Matlab Nabi; Mehdiyeva, Ravan Nadir; Melikova, Sevinj Zellabdin; Jabarov, Sakin Hamid; Thabethe, Thabsile Theodora; Biira, Saphina; Kurbanov, Mirze Abdulla; Tiep, Nguyen Van (Springer, 2019-02)
    Please read abstract in the article.
  • Free joinings of C-dynamical systems 
    Duvenhage, Rocco de Villiers (Elsevier, 2010-04)
    Joinings of C∗-dynamical systems are defined in terms of free products of C∗-algebras, as an analogue of joinings of classical dynamical systems. We then consider disjointness in this context, in particular for ergodic ...
  • From isolated light-harvesting complexes to the thylakoid membrane : a single-molecule perspective 
    Gruber, J. Michael; Maly, Pavel; Kruger, T.P.J. (Tjaart); Van Grondelle, Rienk (De Gruyter Open, 2018-01)
    The conversion of solar radiation to chemical energy in plants and green algae takes place in the thylakoid membrane. This amphiphilic environment hosts a complex arrangement of light-harvesting pigment-protein complexes ...
  • A functional compartmental model of the synechocystis PCC 6803 phycobilisome 
    Van Stokkum, Ivo H.M.; Gwizdala, Michal; Tian, Lijin; Snellenburg, Joris J.; Van Grondelle, Rienk; Van Amerongen, Herbert; Berera, Rudi (Springer, 2018-03)
    In the light-harvesting antenna of the Synechocystis PCC 6803 phycobilisome (PB), the core consists of three cylinders, each composed of four disks, whereas each of the six rods consists of up to three hexamers (Arteni et ...
  • Functionalized graphene foam as electrode for improved electrochemical storage 
    Bello, Abdulhakeem; Fabiane, Mopeli; Momodu, Damilola Y.; Khamlich, Saleh; Dangbegnon, Julien K.; Manyala, Ncholu I. (Springer, 2014-09)
    We report on a non-covalent functionalization of graphene foam (GF) synthesized via chemical vapour deposition (CVD). The GF was treated with pyrene carboxylic acid (PCA) which acted as a source of oxygen and/or ...