메뉴 건너뛰기




Volumn 83, Issue 2, 2010, Pages 80-98

Use of Monte Carlo simulation for the interpretation and analysis of diffuse scattering

Author keywords

Benzocaine; Diffuse scattering; Fast ion conductors; Monte Carlo simulation; Pearceite; Polymorphism

Indexed keywords

DIFFUSE SCATTERING; FAST ION CONDUCTION; FAST-ION CONDUCTORS; GAIN INSIGHT; GENERAL METHOD; HIGHLY-CORRELATED; MOLECULAR MOTIONS; MONTE CARLO SIMULATION; PHARMACEUTICAL COMPOUNDS; POLYMORPHIC FORMS; STRUCTURED DIFFUSE SCATTERING;

EID: 77249169718     PISSN: 01411594     EISSN: 10290338     Source Type: Journal    
DOI: 10.1080/01411590903491752     Document Type: Article
Times cited : (3)

References (31)
  • 1
    • 0001596033 scopus 로고
    • The structure of some crystals as indicated by their diffraction
    • W.L. Bragg, The structure of some crystals as indicated by their diffraction, Proc. R. Soc. Lond. 89A (1913), pp. 248-277.
    • (1913) Proc. R. Soc. Lond. 89A , pp. 248-277
    • Bragg, W.L.1
  • 2
    • 0000193294 scopus 로고
    • Diffuse X-ray scattering from disordered crystals
    • T.R. Welberry and B.D. Butler, Diffuse X-ray scattering from disordered crystals, Chem. Rev. 95 (1995), pp. 2369-2403.
    • (1995) Chem. Rev. , vol.95 , pp. 2369-2403
    • Welberry, T.R.1    Butler, B.D.2
  • 3
    • 0030774172 scopus 로고    scopus 로고
    • Diffuse scattering from disordered crystals (minerals)
    • F. Frey, Diffuse scattering from disordered crystals (minerals), Eur. J. Mineral. 9 (1997), pp. 693-704.
    • (1997) Eur. J. Mineral. , vol.9 , pp. 693-704
    • Frey, F.1
  • 5
    • 54249152845 scopus 로고    scopus 로고
    • Prospects and challenges in single crystal diffuse scattering
    • S. Rosenkrantz and R. Osborn, Prospects and challenges in single crystal diffuse scattering, Neutron News 15 (2004), pp. 21-24.
    • (2004) Neutron News , vol.15 , pp. 21-24
    • Rosenkrantz, S.1    Osborn, R.2
  • 6
    • 84945072622 scopus 로고
    • The interpretation of intensity distributions from disordered binary alloys
    • B. Borie and C.J. Sparks Jr, The interpretation of intensity distributions from disordered binary alloys, Acta Crystallogr. Sect. A 27 (1971), pp. 198-201.
    • (1971) Acta Crystallogr. Sect. A , vol.27 , pp. 198-201
    • Borie, B.1    Sparks Jr., C.J.2
  • 7
    • 0346316762 scopus 로고
    • The separation of displacement and substitutional disorder scattering: A correction for structure-factor ratio variation
    • J.E. Tibballs, The separation of displacement and substitutional disorder scattering: A correction for structure-factor ratio variation, J. Appl. Crystallogr. 8 (1975), pp. 111-114.
    • (1975) J. Appl. Crystallogr. , vol.8 , pp. 111-114
    • Tibballs, J.E.1
  • 8
    • 0000995583 scopus 로고
    • A structural study of the alloy Cu3Au above its critical temperature
    • P. Bardhan and J.B. Cohen, A structural study of the alloy Cu3Au above its critical temperature, Acta Crystallogr. Sect. A 32 (1976), pp. 597-614.
    • (1976) Acta Crystallogr. Sect. A , vol.32 , pp. 597-614
    • Bardhan, P.1    Cohen, J.B.2
  • 10
    • 0028447334 scopus 로고
    • Interpretation of diffuse X-ray scattering via models of disorder
    • T.R. Welberry and B.D. Butler, Interpretation of diffuse X-ray scattering via models of disorder, J. Appl. Crystallogr. 27 (1994), pp. 205-231.
    • (1994) J. Appl. Crystallogr. , vol.27 , pp. 205-231
    • Welberry, T.R.1    Butler, B.D.2
  • 11
    • 0002667268 scopus 로고
    • An optical transform and Monte Carlo study of the disorder in-cristobalite SiO2
    • T.R. Welberry, G.L. Hua, and R.L. Withers, An optical transform and Monte Carlo study of the disorder in-cristobalite SiO2, J. Appl. Crystallogr. 22 (1989), pp. 87-95.
    • (1989) J. Appl. Crystallogr. , vol.22 , pp. 87-95
    • Welberry, T.R.1    Hua, G.L.2    Withers, R.L.3
  • 12
    • 0040514276 scopus 로고
    • An optical transform and Monte Carlo study of the diffuse X-ray scattering in mullite, Al2(Al2+xSi2-2x)O10-x
    • T.R. Welberry and R.L. Withers, An optical transform and Monte Carlo study of the diffuse X-ray scattering in mullite, Al2(Al2+xSi2-2x)O10-x, Phys. Chem. Minerals 17 (1990), pp. 117-124.
    • (1990) Phys. Chem. Minerals , vol.17 , pp. 117-124
    • Welberry, T.R.1    Withers, R.L.2
  • 15
    • 0001221177 scopus 로고    scopus 로고
    • Analysis of single-crystal diffuse X-ray scattering via automatic refinement of a Monte Carlo model
    • T.R. Welberry, T. Proffen, and M. Bown, Analysis of single-crystal diffuse X-ray scattering via automatic refinement of a Monte Carlo model, Acta Crystallogr. Sect. A 54 (1998), pp. 661-674.
    • (1998) Acta Crystallogr. Sect. A , vol.54 , pp. 661-674
    • Welberry, T.R.1    Proffen, T.2    Bown, M.3
  • 16
    • 0034485093 scopus 로고    scopus 로고
    • Diffuse X-ray scattering and disorder in p-methyl-N-(p-chlorobenzylidene) aniline, C14H12ClN (ClMe): Analysis via automatic refinement of a Monte Carlo model
    • T.R. Welberry, Diffuse X-ray scattering and disorder in p-methyl-N-(p-chlorobenzylidene)aniline, C14H12ClN (ClMe): Analysis via automatic refinement of a Monte Carlo model, Acta Crystallogr. Sect. A 56 (2000), pp. 348-358.
    • (2000) Acta Crystallogr. Sect. A , vol.56 , pp. 348-358
    • Welberry, T.R.1
  • 17
    • 0035152794 scopus 로고    scopus 로고
    • Diffuse X-ray scattering from benzil, C14H10O2: Analysis via automatic refinement of a Monte Carlo model
    • T.R. Welberry, D.J. Goossens, A.J. Edwards, and W.I.F. David, Diffuse X-ray scattering from benzil, C14H10O2: Analysis via automatic refinement of a Monte Carlo model, Acta Crystallogr. Sect. A 57 (2001), pp. 101-109.
    • (2001) Acta Crystallogr. Sect. A , vol.57 , pp. 101-109
    • Welberry, T.R.1    Goossens, D.J.2    Edwards, A.J.3    David, W.I.F.4
  • 18
    • 0001015750 scopus 로고    scopus 로고
    • Diffuse scattering and Monte Carlo simulations of cyclohexane- perhydrotriphenylene (PHTP) inclusion compounds, C6H12/C18H30
    • S.C. Mayo, T. Proffen, M. Bown, and T.R. Welberry, Diffuse scattering and Monte Carlo simulations of cyclohexane-perhydrotriphenylene (PHTP) inclusion compounds, C6H12/C18H30, J. Appl. Crystallogr. 32 (1999), pp. 464-471.
    • (1999) J. Appl. Crystallogr. , vol.32 , pp. 464-471
    • Mayo, S.C.1    Proffen, T.2    Bown, M.3    Welberry, T.R.4
  • 19
    • 0000344449 scopus 로고    scopus 로고
    • Diffuse scattering data acquisition techniques
    • M.A. Estermann and W. Steurer, Diffuse scattering data acquisition techniques, Phase Transit. 67 (1998), pp. 165-195.
    • (1998) Phase Transit. , vol.67 , pp. 165-195
    • Estermann, M.A.1    Steurer, W.2
  • 22
    • 67049101043 scopus 로고    scopus 로고
    • Single-crystal diffuse scattering studies on polymorphs of molecular crystals: I. The roomtemperature polymorphs of the drug benzocaine
    • E.J. Chan, T.R. Welberry, D.J. Goossens, A.P. Heerdegen, A.G. Beasley, and P.J. Chupas, Single-crystal diffuse scattering studies on polymorphs of molecular crystals: I. The roomtemperature polymorphs of the drug benzocaine, Acta Crystallogr. Sect. B 65 (2009), pp. 382-392.
    • (2009) Acta Crystallogr. Sect. B , vol.65 , pp. 382-392
    • Chan, E.J.1    Welberry, T.R.2    Goossens, D.J.3    Heerdegen, A.P.4    Beasley, A.G.5    Chupas, P.J.6
  • 23
    • 68349152381 scopus 로고    scopus 로고
    • On the polymorphism of benzocaine; A lowtemperature structural phase transition for form (II)
    • E.J. Chan, A.D. Rae, and T.R. Welberry, On the polymorphism of benzocaine; A lowtemperature structural phase transition for form (II), Acta Crystallogr. Sect. B 65 (2009), pp. 509-515.
    • (2009) Acta Crystallogr. Sect. B , vol.65 , pp. 509-515
    • Chan, E.J.1    Rae, A.D.2    Welberry, T.R.3
  • 24
    • 33751115487 scopus 로고    scopus 로고
    • Fast ion conduction character and ionic phase-transitions in disordered crystals: The complex case of the minerals of the pearceitepolybasite group
    • L. Bindi, M. Evain, A. Pradel, S. Albert, M. Ribes, and S. Menchetti, Fast ion conduction character and ionic phase-transitions in disordered crystals: The complex case of the minerals of the pearceitepolybasite group, Phys. Chem. Minerals 33 (2006), pp. 677-690.
    • (2006) Phys. Chem. Minerals , vol.33 , pp. 677-690
    • Bindi, L.1    Evain, M.2    Pradel, A.3    Albert, S.4    Ribes, M.5    Menchetti, S.6
  • 25
    • 56449124027 scopus 로고    scopus 로고
    • A composite modulated structure mechanism for Ag+ fast ion conduction in pearceite and polybasite mineral solid electrolytes
    • R.L. Withers, L. Nóren, T.R. Welberry, L. Bindi, M. Evain, and S. Menchetti, A composite modulated structure mechanism for Ag+ fast ion conduction in pearceite and polybasite mineral solid electrolytes, Solid State Ionics 179 (2008), pp. 2080-2089.
    • (2008) Solid State Ionics , vol.179 , pp. 2080-2089
    • Withers, R.L.1    Nóren, L.2    Welberry, T.R.3    Bindi, L.4    Evain, M.5    Menchetti, S.6
  • 28
    • 0030790608 scopus 로고    scopus 로고
    • Defect distribution and the diffuse X-ray diffraction pattern of wustite, Fe1-xO
    • T.R. Welberry and A.G. Christy, Defect distribution and the diffuse X-ray diffraction pattern of wustite, Fe1-xO, Phys. Chem. Minerals 24 (1997), pp. 24-38.
    • (1997) Phys. Chem. Minerals , vol.24 , pp. 24-38
    • Welberry, T.R.1    Christy, A.G.2
  • 29
    • 2842608487 scopus 로고
    • Further properties of a Gaussian model of disorder
    • T.R. Welberry and C.E. Carroll, Further properties of a Gaussian model of disorder, Acta Crystallogr. Sect. A 39 (1983), pp. 233-245.
    • (1983) Acta Crystallogr. Sect. A , vol.39 , pp. 233-245
    • Welberry, T.R.1    Carroll, C.E.2
  • 31
    • 0642301439 scopus 로고    scopus 로고
    • DISCUS: A program for diffuse scattering and defect-structure simulation
    • T. Proffen and R.B. Neder, DISCUS: A program for diffuse scattering and defect-structure simulation, J. Appl. Crystallogr. 30 (1997), pp. 171-175.
    • (1997) J. Appl. Crystallogr. , vol.30 , pp. 171-175
    • Proffen, T.1    Neder, R.B.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.