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  1. AU="Adnan, Saqeeb"
  2. AU="Reima Mansour"
  3. AU="Hanin, François-Xavier"
  4. AU=Dufour Alexandre C.
  5. AU="Matos, Stênio Gonçalves da Silva"
  6. AU="Robinson, James B"
  7. AU="An, Dowon"
  8. AU="Mohammad Shahrooei"
  9. AU="Brandjes, Dees P M"
  10. AU="Zou, J Z"
  11. AU="Kamal Dahan Alsultan"
  12. AU="Ayres-Silva, Jackline P"
  13. AU="Devrim, Fatma"
  14. AU="Michael J Horzewski"
  15. AU="Mumtaz, Nazia"
  16. AU="Elsa R. Treffeisen"
  17. AU="Ram, Natalie"
  18. AU="Azzaoui, Kamal"
  19. AU="Clowney, Billy"
  20. AU="Andrews, Lawrence C."
  21. AU="Arias, Andrés Hugo"
  22. AU="Yeo, B K"
  23. AU="Sultan, Mahmoud H"
  24. AU="Kou, Z Q"
  25. AU="Lamm, L"
  26. AU="Truxius, Lidia"
  27. AU="Xingyi Guo"
  28. AU="Gang Lin"
  29. AU="Oka, T"
  30. AU="Frank-Pearce, Summer G"
  31. AU="Hairi Li"
  32. AU="Park, SungHee"
  33. AU="Pascual-Carreras, Eudald"
  34. AU=Joffe Ari R
  35. AU="Buccafurri, Francesco"
  36. AU="Naomi H. Philip"
  37. AU="P. Naina"
  38. AU="Sigal, Leonard H"
  39. AU="Xu, T" AU="Xu, T"
  40. AU="Mazlout, Adam"
  41. AU="Novak, Cheryl B"
  42. AU="Ren, Zhongmin"
  43. AU="Nadhira Houhou-Fidouh"
  44. AU="Seiffert, Jacqui"
  45. AU=Zhang Zizhen
  46. AU="Bhupender Singh Negi"

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  1. Artikel ; Online: Implications of phonon anisotropy on thermal conductivity of fluorite oxides.

    Adnan, Saqeeb / Jin, Miaomiao / Bryan, Matthew S / Manley, Michael E / Hurley, David H / Khafizov, Marat

    Journal of physics. Condensed matter : an Institute of Physics journal

    2023  Band 35, Heft 33

    Abstract: Fluorite oxides are attractive ionic compounds for a range of applications with critical thermal management requirements. In view of recent reports alluding to anisotropic thermal conductivity in this face-centered cubic crystalline systems, we perform a ...

    Abstract Fluorite oxides are attractive ionic compounds for a range of applications with critical thermal management requirements. In view of recent reports alluding to anisotropic thermal conductivity in this face-centered cubic crystalline systems, we perform a detailed analysis of the impact of direction-dependent phonon group velocities and lifetimes on the thermal transport of fluorite oxides. We demonstrate that the bulk thermal conductivity of this class of materials remains isotropic despite notable anisotropy in phonon lifetime and group velocity. However, breaking the symmetry of the phonon lifetime under external stimuli including boundary scattering present in nonequilibrium molecular dynamics simulations of finite size simulation cell gives rise to apparent thermal conductivity anisotropy. We observe that for accurate determination of thermal conductivity, it is important to consider phonon properties not only along high symmetry directions commonly measured in inelastic neutron or x-ray scattering experiments but also of those along lower symmetry. Our results suggests that certain low symmetry directions have a larger contribution to thermal conductivity compared to high symmetry ones.
    Sprache Englisch
    Erscheinungsdatum 2023-05-24
    Erscheinungsland England
    Dokumenttyp Journal Article
    ZDB-ID 1472968-4
    ISSN 1361-648X ; 0953-8984
    ISSN (online) 1361-648X
    ISSN 0953-8984
    DOI 10.1088/1361-648X/acd5a1
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  2. Buch ; Online: Implications of phonon anisotropy on thermal conductivity of fluorite oxides

    Adnan, Saqeeb / Jin, Miaomiao / Bryan, Matthew S / Manley, Michael E / Hurley, David H. / Khafizov, Marat

    2022  

    Abstract: Fluorite oxides are attractive ionic compounds for a range of applications with critical thermal management requirements. In view of recent reports alluding to anisotropic thermal conductivity in this face-centered cubic crystalline systems, we perform a ...

    Abstract Fluorite oxides are attractive ionic compounds for a range of applications with critical thermal management requirements. In view of recent reports alluding to anisotropic thermal conductivity in this face-centered cubic crystalline systems, we perform a detailed analysis of the impact of direction-dependent phonon group velocities and lifetimes on the thermal transport of fluorite oxides. We demonstrate that the bulk thermal conductivity of this class of materials remains isotropic despite notable anisotropy in phonon lifetime and group velocity. However, breaking the symmetry of the phonon lifetime under external stimuli including boundary scattering present in nonequilibrium molecular dynamics simulations of finite size simulation cell gives rise to apparent thermal conductivity anisotropy. We observe that for accurate determination of thermal conductivity, it is important to consider phonon properties not only along high symmetry directions commonly measured in inelastic neutron or x-ray scattering experiments but also of those along lower symmetry. Our results suggests that certain low symmetry directions have a larger contribution to thermal conductivity compared to high symmetry ones.

    Comment: 15 pages, 10 figures
    Schlagwörter Condensed Matter - Materials Science
    Erscheinungsdatum 2022-03-18
    Erscheinungsland us
    Dokumenttyp Buch ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

    Volltext online

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  3. Artikel ; Online: Inherent mechanical properties of bilayer germanene coupled by covalent bonding.

    Arshee, Mahmuda Raakib / Adnan, Saqeeb / Motalab, Mohammad / Bose, Pritom

    RSC advances

    2019  Band 9, Heft 59, Seite(n) 34437–34450

    Abstract: Germanene, a two-dimensional buckled hexagonal structure of germanium atoms, has attractive mechanical, optical, thermal and electronic features. Recently it has been reported that covalent bonding between two monolayer germanene sheets leads to the ... ...

    Abstract Germanene, a two-dimensional buckled hexagonal structure of germanium atoms, has attractive mechanical, optical, thermal and electronic features. Recently it has been reported that covalent bonding between two monolayer germanene sheets leads to the integration of intrinsic magnetism and band gap opening that makes it attractive to future nanoelectronics. In order to use the captivating features of this structure, its mechanical characterization needs to be studied. In this study, molecular dynamics simulations have been performed using optimized Tersoff potential to analyze the effect of chirality, temperature and strain rate on the uniaxial tensile properties of this structure. This study suggests that bonded bilayer germanene shows higher mechanical strength compared to monolayer germanene. Uniaxial loading in the armchair direction shows higher fracture strength and strain compared to the zigzag direction which is contrary to the monolayer germanene. It also reports that with increasing temperature, both the fracture strength and strain of the structure decrease. It has been found that at a higher strain rate, the material exhibits higher fracture strength and strain. Mechanical properties and fracture mechanisms of defected structures have also been reported below the curie temperature. Moreover, the interlayer shear characteristics of the bilayer structure have been looked into. These results will provide significant insight to the investigation of this structure as a potential nano-electronics substitute.
    Sprache Englisch
    Erscheinungsdatum 2019-10-25
    Erscheinungsland England
    Dokumenttyp Journal Article
    ISSN 2046-2069
    ISSN (online) 2046-2069
    DOI 10.1039/c9ra06003k
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  4. Artikel: Inherent mechanical properties of bilayer germanene coupled by covalent bonding

    Arshee, Mahmuda Raakib / Adnan, Saqeeb / Bose, Pritom / Motalab, Mohammad

    RSC advances. 2019 Oct. 25, v. 9, no. 59

    2019  

    Abstract: Germanene, a two-dimensional buckled hexagonal structure of germanium atoms, has attractive mechanical, optical, thermal and electronic features. Recently it has been reported that covalent bonding between two monolayer germanene sheets leads to the ... ...

    Abstract Germanene, a two-dimensional buckled hexagonal structure of germanium atoms, has attractive mechanical, optical, thermal and electronic features. Recently it has been reported that covalent bonding between two monolayer germanene sheets leads to the integration of intrinsic magnetism and band gap opening that makes it attractive to future nanoelectronics. In order to use the captivating features of this structure, its mechanical characterization needs to be studied. In this study, molecular dynamics simulations have been performed using optimized Tersoff potential to analyze the effect of chirality, temperature and strain rate on the uniaxial tensile properties of this structure. This study suggests that bonded bilayer germanene shows higher mechanical strength compared to monolayer germanene. Uniaxial loading in the armchair direction shows higher fracture strength and strain compared to the zigzag direction which is contrary to the monolayer germanene. It also reports that with increasing temperature, both the fracture strength and strain of the structure decrease. It has been found that at a higher strain rate, the material exhibits higher fracture strength and strain. Mechanical properties and fracture mechanisms of defected structures have also been reported below the curie temperature. Moreover, the interlayer shear characteristics of the bilayer structure have been looked into. These results will provide significant insight to the investigation of this structure as a potential nano-electronics substitute.
    Schlagwörter chemical bonding ; deformation ; germanium ; magnetism ; modulus of rupture ; molecular dynamics ; optical isomerism ; simulation models ; temperature ; tensile strength
    Sprache Englisch
    Erscheinungsverlauf 2019-1025
    Umfang p. 34437-34450.
    Erscheinungsort The Royal Society of Chemistry
    Dokumenttyp Artikel
    ISSN 2046-2069
    DOI 10.1039/c9ra06003k
    Datenquelle NAL Katalog (AGRICOLA)

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  5. Buch ; Online: Thermal conductivity suppression in uranium-doped thorium dioxide due to phonon resonant scattering

    Hua, Zilong / Adnan, Saqeeb / Khanolkar, Amey R. / Rickert, Karl / Turner, David B. / Prusnick, Timothy A. / Mann, J. Matthew / Hurley, David H. / Khafizov, Marat / Dennett, Cody A.

    2023  

    Abstract: In this work, the thermal transport properties of thorium dioxide (ThO$_2$, thoria) with low levels of substitutional uranium (U) doping are explored. We observe strong indications of resonant phonon scattering, an interaction between phonons and ... ...

    Abstract In this work, the thermal transport properties of thorium dioxide (ThO$_2$, thoria) with low levels of substitutional uranium (U) doping are explored. We observe strong indications of resonant phonon scattering, an interaction between phonons and electronic degrees of freedom, induced by this doping in addition to common ``impurity'' scattering due to mass and interatomic force constant differences. Uranium doping levels of 6\%, 9\%, and 16\% were studied in a single hydrothermally synthesized U-doped thoria crystal with spatially-varying U doping levels. Within this crystal, isoconcentration regions with relatively uniform doping were located for local thermal conductivity measurements using a thermoreflectance technique. The measured thermal conductivity profiles in the temperature range of 77--300~K are compared to predictions of an analytical Klemens-Callaway thermal conductivity model to identify impacts from different phonon scattering mechanisms. Highly suppressed thermal conductivity at cryogenic temperatures at these doping levels suggests that phonon resonant scattering plays an important role in thermal conductivity reduction in U-doped thoria.

    Comment: 7 pages, 4 figures
    Schlagwörter Condensed Matter - Materials Science ; Condensed Matter - Strongly Correlated Electrons
    Erscheinungsdatum 2023-03-02
    Erscheinungsland us
    Dokumenttyp Buch ; Online
    Datenquelle BASE - Bielefeld Academic Search Engine (Lebenswissenschaftliche Auswahl)

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