메뉴 건너뛰기




Volumn 7, Issue 4, 2015, Pages 2223-2234

Screw dislocations in complex, low symmetry oxides: Core structures, energetics, and impact on crystal growth

Author keywords

atomistic simulation; crystal defects; dicalcium silicates (Ca2SiO3); dislocation mediated property; Peierls stress; screw dislocation

Indexed keywords

CEMENTS; CRYSTAL ATOMIC STRUCTURE; CRYSTAL DEFECTS; CRYSTAL GROWTH; CRYSTALLIZATION; EDGE DISLOCATIONS; ENERGY UTILIZATION; GRINDING (MACHINING); SCREW DISLOCATIONS; SCREWS; SILICATES;

EID: 84922439571     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/am5091808     Document Type: Article
Times cited : (24)

References (70)
  • 1
    • 0346819812 scopus 로고    scopus 로고
    • Spiral Crystal Growth
    • Smereka, P. Spiral Crystal Growth Phys. D 2000, 138 (3-4) 282-301
    • (2000) Phys. D , vol.138 , Issue.34 , pp. 282-301
    • Smereka, P.1
  • 3
    • 0015206096 scopus 로고
    • Improved Atomistic Model of a bcc Dislocation Core
    • Sinclair, J. E. Improved Atomistic Model of a bcc Dislocation Core J. Appl. Phys. 1971, 42, 5321-5329
    • (1971) J. Appl. Phys. , vol.42 , pp. 5321-5329
    • Sinclair, J.E.1
  • 4
    • 0015413949 scopus 로고
    • A New Representation of the Strain Field Associated with the Cube-Edge Dislocation in a Model of a α-Iron
    • Gehlen, P. C.; Hirth, J. P.; Hoagland, R. G.; Kanninen, M. F. A New Representation of the Strain Field Associated with the Cube-Edge Dislocation in a Model of a α-Iron J. Appl. Phys. 1972, 43, 3921-3933
    • (1972) J. Appl. Phys. , vol.43 , pp. 3921-3933
    • Gehlen, P.C.1    Hirth, J.P.2    Hoagland, R.G.3    Kanninen, M.F.4
  • 5
    • 0001045448 scopus 로고    scopus 로고
    • Ab Initio Study of Screw Dislocations in Mo and Ta: A New Picture of Plasticity in bcc Transition Metals
    • Ismail-Beigi, S.; Arias, T. A. Ab Initio Study of Screw Dislocations in Mo and Ta: A New Picture of Plasticity in bcc Transition Metals Phys. Rev. Lett. 2000, 84, 1499-1502
    • (2000) Phys. Rev. Lett. , vol.84 , pp. 1499-1502
    • Ismail-Beigi, S.1    Arias, T.A.2
  • 6
    • 0035353597 scopus 로고    scopus 로고
    • Accurate Atomistic Simulation of (a/2) 〈111〉 Screw Dislocations and Other Defects in bcc Tantalum
    • Yang, L. H.; Söderlind, P.; Moriarty, J. A. Accurate Atomistic Simulation of (a/2) 〈111〉 Screw Dislocations and Other Defects in bcc Tantalum Philos. Mag. A 2001, 81, 1355-1385
    • (2001) Philos. Mag. A , vol.81 , pp. 1355-1385
    • Yang, L.H.1    Söderlind, P.2    Moriarty, J.A.3
  • 7
    • 0007661681 scopus 로고    scopus 로고
    • First-Principles Study of Impurity Segregation in Edge Dislocations in Si
    • Kaplan, T.; Liu, F.; Mostoller, M.; Chisholm, M. F.; Milman, V. First-Principles Study of Impurity Segregation in Edge Dislocations in Si Phys. Rev. B 2000, 61, 1674-1676
    • (2000) Phys. Rev. B , vol.61 , pp. 1674-1676
    • Kaplan, T.1    Liu, F.2    Mostoller, M.3    Chisholm, M.F.4    Milman, V.5
  • 8
    • 0001591091 scopus 로고
    • Electronic and Elastic Properties of Edge Dislocations in Si
    • Liu, F.; Mostoller, M.; Milman, V.; Chisholm, M. F.; Kaplan, T. Electronic and Elastic Properties of Edge Dislocations in Si Phys. Rev. B 1995, 51, 17192-17195
    • (1995) Phys. Rev. B , vol.51 , pp. 17192-17195
    • Liu, F.1    Mostoller, M.2    Milman, V.3    Chisholm, M.F.4    Kaplan, T.5
  • 10
    • 0037122096 scopus 로고    scopus 로고
    • Glide Dislocations in Diamond: First-Principles Calculations of Similarities with and Differences from Silicon and the Effects of Hydrogen
    • Heggie, M. I.; Ewels, C. P.; Martsinovich, N.; Scarle, S.; Jones, R.; Goss, J. P.; Hourahine, B.; Briddon, P. R. Glide Dislocations in Diamond: First-Principles Calculations of Similarities with and Differences from Silicon and the Effects of Hydrogen J. Phys.: Condens. Matter 2002, 14, 12689
    • (2002) J. Phys.: Condens. Matter , vol.14 , pp. 12689
    • Heggie, M.I.1    Ewels, C.P.2    Martsinovich, N.3    Scarle, S.4    Jones, R.5    Goss, J.P.6    Hourahine, B.7    Briddon, P.R.8
  • 11
    • 0142091708 scopus 로고    scopus 로고
    • First-Principles Calculations on the Structure of Hydrogen Aggregates in Silicon and Diamond
    • Martsinovich, N.; Heggie, M. I.; Ewels, C. P. First-Principles Calculations on the Structure of Hydrogen Aggregates in Silicon and Diamond J. Phys.: Condens. Matter 2003, 15 (39) S2815
    • (2003) J. Phys.: Condens. Matter , vol.15 , Issue.39 , pp. 2815
    • Martsinovich, N.1    Heggie, M.I.2    Ewels, C.P.3
  • 12
    • 0025257959 scopus 로고
    • Atomistic Calculations of Point-Defect Interactions with an Edge Dislocation in NiO
    • Rabier, J.; Soullard, J.; Puls, M. P. Atomistic Calculations of Point-Defect Interactions with an Edge Dislocation in NiO Philos. Mag. A 1990, 61, 99-108
    • (1990) Philos. Mag. A , vol.61 , pp. 99-108
    • Rabier, J.1    Soullard, J.2    Puls, M.P.3
  • 13
    • 0024646248 scopus 로고
    • On the Core Structures of Edge Dislocations in NaCl and MgO. Consequences for the Core Configurations of Dislocation Dipoles
    • Rabier, J.; Puls, M. P. On the Core Structures of Edge Dislocations in NaCl and MgO. Consequences for the Core Configurations of Dislocation Dipoles Philos. Mag. A 1989, 59, 821-842
    • (1989) Philos. Mag. A , vol.59 , pp. 821-842
    • Rabier, J.1    Puls, M.P.2
  • 14
    • 0016917531 scopus 로고
    • Atomistic Calculation of the Core Structure and Peierls energy of an (a/2) [110] Edge Dislocation in MgO
    • Puls, M. P.; Norgett, M. J. Atomistic Calculation of the Core Structure and Peierls energy of an (a/2) [110] Edge Dislocation in MgO J. Appl. Phys. 1976, 47, 466-477
    • (1976) J. Appl. Phys. , vol.47 , pp. 466-477
    • Puls, M.P.1    Norgett, M.J.2
  • 15
    • 84996156302 scopus 로고
    • Shell-Model Calculations of Interaction Energies between Point Defects and Dislocations in Ionic Crystals
    • Puls, M. P.; Woo, C. H.; Norgett, M. J. Shell-Model Calculations of Interaction Energies between Point Defects and Dislocations in Ionic Crystals Philos. Mag. 1977, 36, 1457-1472
    • (1977) Philos. Mag. , vol.36 , pp. 1457-1472
    • Puls, M.P.1    Woo, C.H.2    Norgett, M.J.3
  • 16
    • 0020736348 scopus 로고
    • Vacancy-Dislocation Interaction Energies in MgO A Re-analysis
    • Puls, M. P. Vacancy-Dislocation Interaction Energies in MgO A Re-analysis Philos. Mag. A 1983, 47, 497-513
    • (1983) Philos. Mag. A , vol.47 , pp. 497-513
    • Puls, M.P.1
  • 17
    • 5444252345 scopus 로고
    • Vacancy-Dislocation Interaction Energies in MgO
    • Puls, M. P. Vacancy-Dislocation Interaction Energies in MgO Philos. Mag. A 1980, 41, 353-368
    • (1980) Philos. Mag. A , vol.41 , pp. 353-368
    • Puls, M.P.1
  • 18
    • 0016993887 scopus 로고
    • Atomic Simulation of the Dislocation Core Structure and Peierls Stress in Alkali Halide
    • Hoagland, R. G.; Hirth, J. P.; Gehlen, P. C. Atomic Simulation of the Dislocation Core Structure and Peierls Stress in Alkali Halide Philos. Mag. 1976, 34, 413-439
    • (1976) Philos. Mag. , vol.34 , pp. 413-439
    • Hoagland, R.G.1    Hirth, J.P.2    Gehlen, P.C.3
  • 19
    • 0038849912 scopus 로고    scopus 로고
    • Atomistic Simulation of Screw Dislocations in Rock Salt Structured Materials
    • Watson, G. W.; Kelsey, E. T.; Parker, S. C. Atomistic Simulation of Screw Dislocations in Rock Salt Structured Materials Philos. Mag. A 1999, 79, 527-536
    • (1999) Philos. Mag. A , vol.79 , pp. 527-536
    • Watson, G.W.1    Kelsey, E.T.2    Parker, S.C.3
  • 20
    • 77954886114 scopus 로고    scopus 로고
    • Atomic-Scale Models of Dislocation Cores in Minerals: Progress and Prospects
    • Walker, A. M.; Carrez, P.; Cordier, P. Atomic-Scale Models of Dislocation Cores in Minerals: Progress and Prospects Mineral. Mag. 2010, 74, 381-413
    • (2010) Mineral. Mag. , vol.74 , pp. 381-413
    • Walker, A.M.1    Carrez, P.2    Cordier, P.3
  • 23
    • 33746835721 scopus 로고    scopus 로고
    • Direct Imaging of Dislocation Core Structures by Z-Contrast STEM
    • Chisholm, M. F.; Pennycook, S. J. Direct Imaging of Dislocation Core Structures by Z-Contrast STEM Philos. Mag. 2006, 86, 4699-4725
    • (2006) Philos. Mag. , vol.86 , pp. 4699-4725
    • Chisholm, M.F.1    Pennycook, S.J.2
  • 25
    • 30744451865 scopus 로고
    • Dislocations in a Simple Cubic Lattice
    • Nabarro, F. R. N. Dislocations in a Simple Cubic Lattice Proc. Phys. Soc. 1947, 59, 256
    • (1947) Proc. Phys. Soc. , vol.59 , pp. 256
    • Nabarro, F.R.N.1
  • 26
    • 21744448493 scopus 로고    scopus 로고
    • The Peierls Model: Progress and Limitations
    • Schoeck, G. The Peierls Model: Progress and Limitations Mater. Sci. Eng., A 2005, 400-401, 7-17
    • (2005) Mater. Sci. Eng., A , vol.400-401 , pp. 7-17
    • Schoeck, G.1
  • 27
    • 0009656912 scopus 로고
    • New Extended Point Defect Structure in Diamond Cubic Crystals
    • Mostoller, M.; Chisholm, M. F.; Kaplan, T. New Extended Point Defect Structure in Diamond Cubic Crystals Phys. Rev. Lett. 1994, 72, 1494-1497
    • (1994) Phys. Rev. Lett. , vol.72 , pp. 1494-1497
    • Mostoller, M.1    Chisholm, M.F.2    Kaplan, T.3
  • 28
    • 61349097307 scopus 로고    scopus 로고
    • Dislocation Core Energies and Core Fields from First Principles
    • Clouet, E.; Ventelon, L.; Willaime, F. Dislocation Core Energies and Core Fields from First Principles Phys. Rev. Lett. 2009, 102, 055502-055506
    • (2009) Phys. Rev. Lett. , vol.102 , pp. 055502-055506
    • Clouet, E.1    Ventelon, L.2    Willaime, F.3
  • 29
    • 0035908062 scopus 로고    scopus 로고
    • Anisotropic Elastic Interactions of a Periodic Dislocation Array
    • Cai, W.; Bulatov, V. V.; Chang, J.; Li, J.; Yip, S. Anisotropic Elastic Interactions of a Periodic Dislocation Array Phys. Rev. Lett. 2001, 86, 5727-5730
    • (2001) Phys. Rev. Lett. , vol.86 , pp. 5727-5730
    • Cai, W.1    Bulatov, V.V.2    Chang, J.3    Li, J.4    Yip, S.5
  • 30
    • 70449555540 scopus 로고    scopus 로고
    • Elastic Energy of a Straight Dislocation and Contribution from Core Tractions
    • Clouet, E. Elastic Energy of a Straight Dislocation and Contribution from Core Tractions Philos. Mag. 2009, 89, 1565-1584
    • (2009) Philos. Mag. , vol.89 , pp. 1565-1584
    • Clouet, E.1
  • 31
    • 25444433573 scopus 로고    scopus 로고
    • Atomic Scale Modelling of the Cores of Dislocations in Complex Materials Part 1: Methodology
    • Walker, A. M.; Gale, J. D.; Slater, B.; Wright, K. Atomic Scale Modelling of the Cores of Dislocations in Complex Materials Part 1: Methodology Phys. Chem. Chem. Phys. 2005, 7, 3227-3234
    • (2005) Phys. Chem. Chem. Phys. , vol.7 , pp. 3227-3234
    • Walker, A.M.1    Gale, J.D.2    Slater, B.3    Wright, K.4
  • 32
    • 25444499689 scopus 로고    scopus 로고
    • Atomic Scale Modelling of the Cores of Dislocations in Complex Materials Part 2: Applications
    • Walker, A. M.; Gale, J. D.; Slater, B.; Wright, K. Atomic Scale Modelling of the Cores of Dislocations in Complex Materials Part 2: Applications Phys. Chem. Chem. Phys. 2005, 7, 3235-3242
    • (2005) Phys. Chem. Chem. Phys. , vol.7 , pp. 3235-3242
    • Walker, A.M.1    Gale, J.D.2    Slater, B.3    Wright, K.4
  • 33
    • 5444262760 scopus 로고    scopus 로고
    • Predicting the Structure of Screw Dislocations in Nanoporous Materials
    • Walker, A. M.; Slater, B.; Gale, J. D.; Wright, K. Predicting the Structure of Screw Dislocations in Nanoporous Materials Nat. Mater. 2004, 3, 715-720
    • (2004) Nat. Mater. , vol.3 , pp. 715-720
    • Walker, A.M.1    Slater, B.2    Gale, J.D.3    Wright, K.4
  • 34
    • 77951766413 scopus 로고    scopus 로고
    • Simulation of Screw Dislocations in Wadsleyite
    • Walker, A. Simulation of Screw Dislocations in Wadsleyite Phys. Chem. Miner. 2010, 37, 301-310
    • (2010) Phys. Chem. Miner. , vol.37 , pp. 301-310
    • Walker, A.1
  • 35
    • 0004151245 scopus 로고    scopus 로고
    • 2 nd ed. Thomas Telford: London
    • Taylor, H. F. W. Cement Chemistry. 2 nd ed.; Thomas Telford: London, 1997.
    • (1997) Cement Chemistry
    • Taylor, H.F.W.1
  • 36
    • 70349558015 scopus 로고    scopus 로고
    • First-Principles Study of Elastic Constants and Interlayer Interactions of Complex Hydrated Oxides: Case Study of Tobermorite and Jennite
    • Shahsavari, R.; Buehler, M. J.; Pellenq, R. J. M.; Ulm, F.-J. First-Principles Study of Elastic Constants and Interlayer Interactions of Complex Hydrated Oxides: Case Study of Tobermorite and Jennite J. Am. Ceram. Soc. 2009, 92, 2323-2330
    • (2009) J. Am. Ceram. Soc. , vol.92 , pp. 2323-2330
    • Shahsavari, R.1    Buehler, M.J.2    Pellenq, R.J.M.3    Ulm, F.-J.4
  • 38
    • 0002899212 scopus 로고
    • Rietveld Crystal Structure Refinements, Crystal Chemistry and Calculated Powder Diffraction Data for the Polymorphs of Dicalcium Silicate and Related Phases
    • Mumme, W. G.; Hill, R. J.; Bushnell-Wye, G.; Segnit, E. R. Rietveld Crystal Structure Refinements, Crystal Chemistry and Calculated Powder Diffraction Data for the Polymorphs of Dicalcium Silicate and Related Phases Neues Jahrb. Mineral., Abh. 1995, 169, 35-68
    • (1995) Neues Jahrb. Mineral., Abh. , vol.169 , pp. 35-68
    • Mumme, W.G.1    Hill, R.J.2    Bushnell-Wye, G.3    Segnit, E.R.4
  • 40
    • 0028695792 scopus 로고
    • Study on the Structure and Characteristic of Dicalcium Silicate with Quantum Chemistry Calculations
    • Feng, X.; Min, X.; Tao, C. Study on the Structure and Characteristic of Dicalcium Silicate with Quantum Chemistry Calculations Cem. Concr. Res. 1994, 24, 1311-1316
    • (1994) Cem. Concr. Res. , vol.24 , pp. 1311-1316
    • Feng, X.1    Min, X.2    Tao, C.3
  • 41
    • 0005593735 scopus 로고
    • The Crystal Structure of γ-Dicalcium Silicate
    • Smith, D. K.; Majumdar, A.; Ordway, F. The Crystal Structure of γ-Dicalcium Silicate Acta Crystallogr. 1965, 18, 787-795
    • (1965) Acta Crystallogr. , vol.18 , pp. 787-795
    • Smith, D.K.1    Majumdar, A.2    Ordway, F.3
  • 43
    • 77950628177 scopus 로고    scopus 로고
    • Dissolution Theory Applied to the Induction Period in Alite Hydration
    • Juilland, P.; Gallucci, E.; Flatt, R.; Scrivener, K. Dissolution Theory Applied to the Induction Period in Alite Hydration Cem. Concr. Res. 2010, 40, 831-844
    • (2010) Cem. Concr. Res. , vol.40 , pp. 831-844
    • Juilland, P.1    Gallucci, E.2    Flatt, R.3    Scrivener, K.4
  • 44
    • 0019928383 scopus 로고
    • The Structure of Alite in Portland Cement Clinker-TEM Evidence
    • Hudson, K. E.; Groves, G. W. The Structure of Alite in Portland Cement Clinker-TEM Evidence Cem. Concr. Res. 1982, 12, 61-68
    • (1982) Cem. Concr. Res. , vol.12 , pp. 61-68
    • Hudson, K.E.1    Groves, G.W.2
  • 47
    • 0019549296 scopus 로고
    • Portland Cement Clinker Viewed by Transmission Electron Microscopy
    • Groves, G. W. Portland Cement Clinker Viewed by Transmission Electron Microscopy J. Mater. Sci. 1981, 16, 1063-1070
    • (1981) J. Mater. Sci. , vol.16 , pp. 1063-1070
    • Groves, G.W.1
  • 50
    • 0242341371 scopus 로고    scopus 로고
    • The General Utility Lattice Program (GULP)
    • Gale, J. D.; Rohl, A. L. The General Utility Lattice Program (GULP) Mol. Simul. 2003, 29, 291-341
    • (2003) Mol. Simul. , vol.29 , pp. 291-341
    • Gale, J.D.1    Rohl, A.L.2
  • 51
    • 0442326619 scopus 로고    scopus 로고
    • Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
    • Cygan, R. T.; Liang, J.-J.; Kalinichev, A. G. Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field J. Phys. Chem. B 2004, 108, 1255-1266
    • (2004) J. Phys. Chem. B , vol.108 , pp. 1255-1266
    • Cygan, R.T.1    Liang, J.-J.2    Kalinichev, A.G.3
  • 52
    • 23644445653 scopus 로고    scopus 로고
    • Molecular Dynamics Modelling of Hydrated Mineral Interlayers and Surfaces: Structure and Dynamics
    • Kirkpatrick, R. J.; Kalinichev, A. G.; Wang, J. Molecular Dynamics Modelling of Hydrated Mineral Interlayers and Surfaces: Structure and Dynamics Mineral. Mag. 2005, 69, 289-308
    • (2005) Mineral. Mag. , vol.69 , pp. 289-308
    • Kirkpatrick, R.J.1    Kalinichev, A.G.2    Wang, J.3
  • 53
    • 84991212447 scopus 로고    scopus 로고
    • Molecular Modeling of Confined Fluids and Solid-Fluid Interfaces in Portland Cement and Related Materials
    • Bartos, P. Ed. The Royal Society of Chemistry United Kingdom: Cambridge, United Kingdom
    • Kirkpatrick, R. J.; Kalinichev, A.; Jianwei, W. Molecular Modeling of Confined Fluids and Solid-Fluid Interfaces in Portland Cement and Related Materials. In NanoTechnology in Construction; Bartos, P., Ed. The Royal Society of Chemistry United Kingdom: Cambridge, United Kingdom, 2004.
    • (2004) NanoTechnology in Construction
    • Kirkpatrick, R.J.1    Kalinichev, A.2    Jianwei, W.3
  • 54
    • 33144479510 scopus 로고
    • The Elastic Behaviour of a Crystalline Aggregate
    • Hill, R. The Elastic Behaviour of a Crystalline Aggregate Proc. Phys. Soc., Sect. A 1952, 65, 349
    • (1952) Proc. Phys. Soc., Sect. A , vol.65 , pp. 349
    • Hill, R.1
  • 55
    • 0016917531 scopus 로고
    • Atomistic Calculation of the Core Structure and Peierls Energy of an (a/2) [110] Edge Dislocation in MgO
    • Puls, M. P.; Horgett, M. J. Atomistic Calculation of the Core Structure and Peierls Energy of an (a/2) [110] Edge Dislocation in MgO J. Appl. Phys. 1976, 47, 466
    • (1976) J. Appl. Phys. , vol.47 , pp. 466
    • Puls, M.P.1    Horgett, M.J.2
  • 56
    • 84867833039 scopus 로고
    • The Core Structure of 1/2(111) Screw Dislocations in bcc Crystals
    • Vítek, V.; Perrin, R. C.; Bowen, D. K. The Core Structure of 1/2(111) Screw Dislocations in bcc Crystals Philos. Mag. 1970, 21, 1049-1073
    • (1970) Philos. Mag. , vol.21 , pp. 1049-1073
    • Vítek, V.1    Perrin, R.C.2    Bowen, D.K.3
  • 57
    • 0035701068 scopus 로고    scopus 로고
    • Energetics of Homogeneous Nucleation of Dislocation Loops under a Simple Shear Stress in Perfect Crystals
    • Xu, G.; Argon, A. S. Energetics of Homogeneous Nucleation of Dislocation Loops under a Simple Shear Stress in Perfect Crystals Mater. Sci. Eng., A 2001, 319-321, 144-147
    • (2001) Mater. Sci. Eng., A , vol.319-321 , pp. 144-147
    • Xu, G.1    Argon, A.S.2
  • 58
    • 33846376879 scopus 로고    scopus 로고
    • Modeling Dislocation by Coupling Peierls-Nabarro and Element-free Galerkin Methods
    • Denoual, C. Modeling Dislocation by Coupling Peierls-Nabarro and Element-free Galerkin Methods Comput. Methods. Appl. Mech. Eng. 2007, 196, 1915-1923
    • (2007) Comput. Methods. Appl. Mech. Eng. , vol.196 , pp. 1915-1923
    • Denoual, C.1
  • 60
    • 84873585085 scopus 로고    scopus 로고
    • Critical-Temperature/Peierls-Stress Dependent Size Effects in Body Centered Cubic Nanopillars
    • Han, S. M.; Feng, G.; Jung, J. Y.; Jung, H. J.; Groves, J. R.; Nix, W. D.; Cui, Y. Critical-Temperature/Peierls-Stress Dependent Size Effects in Body Centered Cubic Nanopillars Appl. Phys. Lett. 2013, 102
    • (2013) Appl. Phys. Lett. , pp. 102
    • Han, S.M.1    Feng, G.2    Jung, J.Y.3    Jung, H.J.4    Groves, J.R.5    Nix, W.D.6    Cui, Y.7
  • 61
    • 27644476519 scopus 로고
    • Highly Reactive Dicalcium Silicates for Belite Cement
    • Proceeding of the International RILEM Conference on Concrete. RILEM Publications: Bagneux, France
    • Young, J. F. Highly Reactive Dicalcium Silicates for Belite Cement. In From Material to Structure, Proceeding of the International RILEM Conference on Concrete. Bournazel, J.-P.; Malier, Y., Eds.; RILEM Publications: Bagneux, France, 1988, pp 1-15.
    • (1988) From Material to Structure , pp. 1-15
    • Young, J.F.1    Bournazel, J.-P.2    Malier, Y.3
  • 62
    • 0034825709 scopus 로고    scopus 로고
    • Atomistic Simulation of Crystal Growth at the 〈100〉 Screw Dislocation Terminating at the {100} Surface of MgO
    • Watson, G. W.; Oliver, P. M.; Parker, S. C. Atomistic Simulation of Crystal Growth at the 〈100〉 Screw Dislocation Terminating at the {100} Surface of MgO Surf. Sci. 2001, 474, L185-L190
    • (2001) Surf. Sci. , vol.474 , pp. 185-L190
    • Watson, G.W.1    Oliver, P.M.2    Parker, S.C.3
  • 63
    • 78650485661 scopus 로고    scopus 로고
    • Empirical Force Fields for Complex Calcio-Silicate Layered Materials
    • Shahsavari, R.; Pellenq, R.; Ulm, F.-J. Empirical Force Fields For Complex Calcio-Silicate Layered Materials Phys. Chem. Chem. Phys. 2011, 13, 1002-1011
    • (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 1002-1011
    • Shahsavari, R.1    Pellenq, R.2    Ulm, F.-J.3
  • 64
    • 84879525621 scopus 로고    scopus 로고
    • Toughness Governs the Rupture of Interfacial H-Bond Assemblies at a Critical Length Scale in Hybrid Materials
    • Sakhavand, N.; Muthuramalingam, P.; Shahsavari, R. Toughness Governs the Rupture of Interfacial H-Bond Assemblies at a Critical Length Scale in Hybrid Materials Langmuir 2013, 29, 8154-163
    • (2013) Langmuir , vol.29 , pp. 8154-8163
    • Sakhavand, N.1    Muthuramalingam, P.2    Shahsavari, R.3
  • 65
    • 84922796767 scopus 로고    scopus 로고
    • Molecular Mechanistic Origin of Nanoscale Contact, Friction and Scratch in Complex Particulate Systems
    • DOI
    • Jalilvand, S.; Shahsavari, R. Molecular Mechanistic Origin of Nanoscale Contact, Friction and Scratch in Complex Particulate Systems, ACS Appl. Mater. Interfaces. DOI: 10.1021/am506411h.
    • ACS Appl. Mater. Interfaces
    • Jalilvand, S.1    Shahsavari, R.2
  • 70
    • 84888589877 scopus 로고    scopus 로고
    • 4 Gas Adsorptions in Zeolitic Imidazolate Framework-95 and -100: Ab Initio Based Grand Canonical Monte Carlo Simulation
    • 4 Gas Adsorptions in Zeolitic Imidazolate Framework-95 and -100: Ab Initio Based Grand Canonical Monte Carlo Simulation J. Phys. Chem. C 2013, 117, 24407-24416
    • (2013) J. Phys. Chem. C , vol.117 , pp. 24407-24416
    • Muthuramalingam, P.1    Sakhavand, N.2    Shahsavari, R.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.