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Atomistic Simulation @ Cambridge

Department of Materials Science & Metallurgy

Studying at Cambridge

 

Publications

2019

2018

 

2017

 

2016

 

 

 

 

 

 

  • Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; et al. (2016)  Disorder and polymorphism in Cu(II)-polyoxometalate complexes: [Cu-1.5(H2O)(7.5)PW12O40]center dot 4.75H(2)O, cis- & trans-[Cu-2(H2O)(10)SiW12O40]center dot 6H(2)O, CRYSTENGCOMM, 18, 28, pp. 5327-5332 

 

2015

 

 

 

2014

 

 

 

 

 

 

Earlier publications

Kang, L and Ramo, DM and Lin, Z and Bristowe, PD and Qin, J and Chen, C (2013) First principles selection and design of mid-IR nonlinear optical halide crystals. Journal of Materials Chemistry C, 1. pp. 7363-7370. ISSN 2050-7534

Chang, BK and Bristowe, PD and Cheetham, AK (2013) Computational studies on the adsorption of CO2 in the flexible perfluorinated metal-organic framework zinc 1,2-bis(4-pyridyl)ethane tetrafluoroterephthalate. Phys Chem Chem Phys, 15. pp. 176-182.

Zhang, C and Bristowe, PD (2013) First principles calculations of oxygen vacancy formation in barium-strontium-cobalt-ferrite. RSC ADVANCES, 3. pp. 12267-12274. ISSN 2046-2069

Chang, BK and Bristowe, NC and Bristowe, PD and Cheetham, AK (2012) Van der Waals forces in the perfluorinated metal-organic framework zinc 1,2-bis(4-pyridyl)ethane tetrafluoroterephthalate. Phys Chem Chem Phys, 14. pp. 7059-7064.

Toda-Caraballo, I and Bristowe, PD and Capdevila, C (2012) A molecular dynamics study of grain boundary free energies, migration mechanisms and mobilities in a bcc Fe-20Cr alloy. Acta Materialia, 60. pp. 1116-1128. ISSN 1359-6454

Korner, W and Bristowe, PD and Elsasser, C (2011) Density functional theory study of stoichiometric and nonstoichiometric ZnO grain boundaries. PHYS REV B, 84. -. ISSN 1098-0121

Shah, SH and Bristowe, PD (2011) Ab initio energetics of lanthanum substitution in ferroelectric bismuth titanate. J Phys Condens Matter, 23. 155902-.

Phillips, CL and Bristowe, PD (2011) First principles study of ZnO adsorption on stressed metal surfaces. Surface Science, 605. pp. 450-455. ISSN 0039-6028

Shah, SH and Bristowe, PD (2010) First-principles density functional study of polarization-strain coupling in bismuth titanate. J PHYS-CONDENS MAT, 22. -. ISSN 0953-8984

Lin, ZH and Bristowe, PD (2009) A first principles study of the properties of Al:ZnO and its adhesion to Ag in an optical coating. J APPL PHYS, 106. -. ISSN 0021-8979

Chen, JJ and Lin, ZS and Bull, SJ and Phillips, CL and Bristowe, PD (2009) Experimental and modelling techniques for assessing the adhesion of very thin coatings on glass. J PHYS D APPL PHYS, 42. -. ISSN 0022-3727

Chappell, H and Duer, M and Groom, N and Pickard, C and Bristowe, P (2008) Probing the surface structure of hydroxyapatite using NMR spectroscopy and first principles calculations. Physical Chemistry Chemical Physics, 10. pp. 600-606. ISSN 1463-9076

Phillips, CL and Bristowe, PD (2008) First principles study of the adhesion asymmetry of a metal/oxide interface. In: UNSPECIFIED.

Shah, SH and Bristowe, PD and Kolpak, AM and Rappe, AM (2008) First principles study of three-component SrTiO3/BaTiO3/PbTiO3 ferroelectric superlattices. In: UNSPECIFIED.

Lin, ZS and Bristowe, PD (2007) Microscopic characteristics of the Ag(111)/ZnO(0001) interface present in optical coatings. Physical Review B, 75. ISSN 1098-0121

Lin, ZS and Bristowe, PD (2007) A density functional study of the effect of hydrogen on the strength of an epitaxial Ag/ZnO interface. Journal of Applied Physics, 102. ISSN 0021-8979

Chappell, HF and Bristowe, PD (2007) Density functional calculations of the properties of silicon-substituted hydroxyapatite. J MATER SCI-MATER M, 18. pp. 829-837. ISSN 0957-4530

Dłuzewski, P and Bristowe, P and Maurice, JL and Komninou, P (2006) Physica Status Solidi (A) Applied Research: Preface. Physica Status Solidi (A) Applications and Materials Science, 203. 2149-. ISSN 1862-6300

Bristowe, P and Ruterana, P (2006) Interfacial Processes and Properties of Advanced Materials, Caen, France, 28-30 June 2004. Philosophical Magazine, 86. p. 2125. ISSN 1478-6435

Bristowe, PD (2006) Theory and modelling of ferroelectric materials. Current Opinion in Solid State & Materials Science, 9. p. 99. ISSN 1359-0286

von Pezold, J and Bristowe, PD (2006) Metal (Ni, Au)-vacancy complexes in GaN. In: UNSPECIFIED.

von Pezold, J and Oliver, RA and Kappers, MJ and Bristowe, PD and Humphreys, CJ (2006) The effect of Si on the growth mode of GaN. In: UNSPECIFIED.

Bristowe, PD and Hasnip, PJ (2005) General Aspects of Materials Modelling. In: Introduction to materials modelling. Woodhead Pub Ltd, -.

Von Pezold, J and Bristowe, PD (2005) Atomic structure and electronic properties of the GaN/ZnO(0001) interface. In: UNSPECIFIED.

Astala, RK and Bristowe, PD (2004) Ab initio calculations of doping mechanisms in SrTiO3. Modelling and Simulation in Materials Science and Engineering, 12. pp. 79-90. ISSN 0965-0393

Domingos, HS and Carlsson, JM and Bristowe, PD and Hellsing, B (2004) The formation of defect complexes in a ZnO grain boundary. In: UNSPECIFIED.

Domingos, HS and Bristowe, PD (2003) On the stability of Met-Car analogue clusters in the solid state. Journal of Physics-Condensed Matter, 15. pp. 4341-4348. ISSN 0953-8984

Carlsson, JM and Hellsing, B and Domingos, HS and Bristowe, PD (2003) The effects of doping a grain boundary in ZnO with various concentrations of Bi. In: UNSPECIFIED.

Carlsson, JM and Domingos, HS and Bristowe, PD and Hellsing, B (2003) An interfacial complex in ZnO and its influence on charge transport. Physical Review Letters, 91. ISSN 0031-9007

Astala, RK and Bristowe, PD (2003) The properties of a Na-doped twist boundary in SrTiO3 from first principles. In: UNSPECIFIED.

Domingos, HS and Carlsson, JM and Bristowe, PD and Hellsing, B (2002) Charge accumulation and barrier formation at grain boundaries in ZnO decorated with bismuth. In: UNSPECIFIED.

Astala, R and Bristowe, PD (2002) First principles calculations of niobium substitution in strontium titanate. Journal of Physics-Condensed Matter, 14. L149-L156. ISSN 0953-8984

Astala, R and Bristowe, PD (2002) First-principles calculations of an oxygen deficient Sigma=3 (111) [10(1)over-bar] grain boundary in strontium titanate. Journal of Physics-Condensed Matter, 14. pp. 6455-6467. ISSN 0953-8984

Carlsson, JM and Hellsing, B and Domingos, HS and Bristowe, PD (2002) Theoretical investigation of the pure and Zn-doped alpha and delta phases of Bi2O3. Physical Review B, 65. ISSN 1098-0121

Astala, R and Bristowe, PD (2002) A computational study of twist boundary structures in strontium titanate. J PHYS-CONDENS MAT, 14. pp. 13635-13641. ISSN 0953-8984

Astala, RK and Bristowe, PD (2002) The structure and stability of twist boundaries in SrTiO3 from first principles. In: UNSPECIFIED.

Chisholm, JA and Bristowe, PD (2001) Ab initio study of the effect of doping on stacking faults in GaN. In: UNSPECIFIED.

Astala, R and Bristowe, PD (2001) Ab initio and classical simulations of defects in SrTiO3. Computational Materials Science, 22. pp. 81-86. ISSN 0927-0256

Astala, R and Bristowe, PD (2001) Ab initio study of the oxygen vacancy in SrTiO3. Modelling and Simulation in Materials Science and Engineering, 9. pp. 415-422. ISSN 0965-0393

Chisholm, JA and Bristowe, PD (2001) Computational study of the effect of Al and In on the formation energies and acceptor levels of Mg and C dopants in GaN. In: UNSPECIFIED.

Domingos, HS and Bristowe, PD (2001) Electronic structure of twist grain-boundaries in ZnO and the effect of Sb doping. Computational Materials Science, 22. pp. 38-43. ISSN 0927-0256

Chisholm, JA and Bristowe, PD (2001) The electrical activity of GaN doped with transition metal impurities. Modelling and Simulation in Materials Science and Engineering, 9. pp. 249-258. ISSN 0965-0393

Carlsson, JM and Hellsing, B and Domingos, HS and Bristowe, PD (2001) Electronic properties of a grain boundary in Sb-doped ZnO. J PHYS-CONDENS MAT, 13. pp. 9937-9943. ISSN 0953-8984

Carlsson, JM and Domingos, HS and Hellsing, B and Bristowe, PD (2001) Electronic structure of a Bi-doped Sigma=13 tilt grain boundary in ZnO. In: UNSPECIFIED.

Chisholm, JA and Bristowe, PD (2001) Formation energies of metal impurities in GaN. COMP MATER SCI, 22. pp. 73-77. ISSN 0927-0256

Domingos, HS and Bristowe, PD and Carlsson, J and Hellsing, B (2001) Segregation effects at a high-angle twist boundary in ZnO. In: UNSPECIFIED.

Bristowe, PD and Domingos, HS (2000) Theoretical investigations of interfaces in electroceramic materials. ADV ENG MATER, 2. pp. 497-502. ISSN 1438-1656

Chisholm, JA and Bristowe, PD (2000) Stacking fault energies in Si doped GaN: A first principles study. APPL PHYS LETT, 77. pp. 534-536. ISSN 0003-6951

Chisholm, JA and Bristowe, PD (2000) Simulations of defect-interface interactions in GaN. Materials Research Society Symposium - Proceedings, 595. W3.72.1-W3.72.6. ISSN 0272-9172

Chisholm, JA and Bristowe, PD (2000) Simulations of defect-interface interactions in GaN. In: UNSPECIFIED.

Chisholm, JA and Bristowe, PD (1999) A first principles investigation of stacking fault energies and bonding in wurtzite materials. J PHYS-CONDENS MAT, 11. pp. 5057-5063. ISSN 0953-8984

Chisholm, JA and Lewis, DW and Bristowe, PD (1999) Classical simulations of the properties of group-III nitrides. J PHYS-CONDENS MAT, 11. L235-L239. ISSN 0953-8984

Harris, RM and Bristowe, PD (1999) Computer modelling of slip in TiC. PHILOS MAG A, 79. pp. 705-721. ISSN 0141-8610

Domingos, HS and Bristowe, PD (1999) Atomistic simulation of grain boundary segregation in zinc oxide. SCRIPTA MATER, 41. pp. 1347-1352. ISSN 1359-6462

Chisholm, JA and Bristowe, PD (1999) Classical and quantum simulations of In and Al incorporation in GaN. In: UNSPECIFIED.

Dawson, I and Bristowe, PD and White, JA and Payne, MC (1997) First principles computer simulation of the defect chemistry of rutile TiO2. In: UNSPECIFIED.

Harris, RM and Bristowe, PD (1997) Stacking fault energies in TiCx. In: UNSPECIFIED.

Dawson, I and Bristowe, PD and Lee, M and Payne, MC and Segall, MD and White, JA (1996) First-principles study of a tilt grain boundary in rutile. Phys Rev B Condens Matter, 54. pp. 13727-13733. ISSN 0163-1829

Dawson, I and Bristowe, PD and Payne, MC and Lee, MH (1996) An ab initio investigation of a grain boundary in a transition metal oxide. In: UNSPECIFIED.

FLORO, JA and THOMPSON, CV and CAREL, R and BRISTOWE, PD (1994) COMPETITION BETWEEN STRAIN AND INTERFACE ENERGY DURING EPITAXIAL GRAIN-GROWTH IN AG FILMS ON NI(001). J MATER RES, 9. pp. 2411-2424. ISSN 0884-2914

SEIDMAN, DN and SIEGEL, RW and BRISTOWE, PD (1994) ATOMIC-SCALE IMPERFECTIONS IN MATERIALS - A FESTSCHRIFT ISSUE IN HONOR OF BALLUFFI,ROBERT,W. - DEDICATION. J PHYS CHEM SOLIDS, 55. R7-R8. ISSN 0022-3697

MAJID, I and COUNTERMAN, CA and BRISTOWE, PD and BALLUFFI, RW (1994) X-RAY-DIFFRACTION AND COMPUTER-SIMULATION STUDIES OF THE STRUCTURE OF [001] TWIST BOUNDARIES IN AU-AG ALLOYS. ACTA METALL MATER, 42. pp. 3331-3340. ISSN 0956-7151

MAJID, I and COUNTERMAN, CA and NAJAFABADI, R and BRISTOWE, PD (1994) X-RAY-DIFFRACTION AND COMPUTER-SIMULATION STUDIES ON THE STRUCTURE OF HOMOPHASE AND HETEROPHASE INTERFACES IN METALS. In: UNSPECIFIED.

LEE, WY and BRISTOWE, PD and SOLORZANO, IG and VANDERSANDE, JB (1994) ATOMISTIC CALCULATIONS AND HRTEM OBSERVATIONS OF AN [001] TILT BOUNDARY IN RUTILE. In: UNSPECIFIED.

FERNANDES, MG and PONTIKIS, V and BRISTOWE, PD (1994) MOLECULAR STATICS OF A NI/ZR HETEROPHASE INTERFACE. In: UNSPECIFIED.

LEE, WY and BRISTOWE, PD and GAO, Y and MERKLE, KL (1993) THE ATOMIC-STRUCTURE OF TWIN BOUNDARIES IN RUTILE. PHIL MAG LETT, 68. pp. 309-314. ISSN 0950-0839

Dallot, P and Bristowe, PD (1992) Born-Oppenheimer surface of triatomic silicon and its relationship to potentials in the bulk. Phys Rev B Condens Matter, 46. pp. 2147-2158. ISSN 0163-1829

DALLOT, P and BRISTOWE, PD and DEMAZURE, M (1992) REDUCED COORDINATES ON THE CONFIGURATION SPACE OF 3-ATOMS AND 4-ATOMS. PHYS REV B, 46. pp. 2133-2146. ISSN 1098-0121

Dallot, P and Bristowe, PD and Demazure, M (1992) Reduced coordinates on the configuration space of three and four atoms. Phys Rev B Condens Matter, 46. pp. 2133-2146. ISSN 0163-1829

MAJID, I and BRISTOWE, PD (1992) AN X-RAY-DIFFRACTION AND COMPUTER-SIMULATION STUDY OF [111] TWIST BOUNDARIES IN GOLD. PHILOS MAG A, 66. pp. 73-87. ISSN 0141-8610

Needels, M and Rappe, AM and Bristowe, PD and Joannopoulos, JD (1992) Ab initio study of a grain boundary in gold. Phys Rev B Condens Matter, 46. pp. 9768-9771. ISSN 0163-1829

COUNTERMAN, CA and MAJID, I and BRISTOWE, PD and BALLUFFI, RW (1992) ON THE STUDY OF GRAIN-BOUNDARY SEGREGATION USING X-RAY-DIFFRACTION AND COMPUTER-SIMULATION. In: UNSPECIFIED.

BRISTOWE, PD (1991) THE SENSITIVITY OF DIFFRACTION PROFILES TO GRAIN-BOUNDARY SEGREGATION. SCRIPTA METALL MATER, 25. pp. 79-84. ISSN 0956-716X

MAJID, I and WANG, D and BRISTOWE, PD (1991) DIFFRACTION EFFECTS FROM [111]TWIST BOUNDARIES IN GOLD. In: UNSPECIFIED.

DALLOT, P and BRISTOWE, PD (1991) A MORPHOLOGICAL APPROACH TO CONSTRUCTING INTERATOMIC POTENTIALS - AN APPLICATION TO SILICON. In: UNSPECIFIED.

Tarnow, E and Dallot, P and Bristowe, PD and Joannopoulos, JD and Francis, GP and Payne, MC (1990) Structural complexity in grain boundaries with covalent bonding. Phys Rev B Condens Matter, 42. pp. 3644-3657. ISSN 0163-1829

JHAN, RJ and BRISTOWE, PD (1990) A MOLECULAR-DYNAMICS STUDY OF GRAIN-BOUNDARY MIGRATION WITHOUT THE PARTICIPATION OF SECONDARY GRAIN-BOUNDARY DISLOCATIONS. SCRIPTA METALL MATER, 24. pp. 1313-1318. ISSN 0956-716X

WANG, D and BRISTOWE, PD (1990) CALCULATION OF DIFFRACTION EFFECTS DUE TO DOUBLE POSITIONING IN (111)GOLD BICRYSTALS. PHYS STATUS SOLIDI B, 161. pp. 501-511. ISSN 0370-1972

JHAN, RJ and BRISTOWE, PD (1990) DYNAMIC SIMULATION OF THE MOTION OF CURVED GRAIN-BOUNDARIES COMPOSED OF PYRAMIDAL-SHAPED LEDGES. In: UNSPECIFIED.

TARNOW, E and ARIAS, T and BRISTOWE, PD and DALLOT, P and FRANCIS, GP and JOANNOPOULOS, JD and PAYNE, MC (1990) THE RELATIONSHIP BETWEEN THE MICROSCOPIC PROPERTIES OF SEMICONDUCTING GRAIN-BOUNDARIES AND THEIR ORIENTATION. In: UNSPECIFIED.

MAJID, I and BRISTOWE, PD and BALLUFFI, RW (1989) EVIDENCE AGAINST THE EXISTENCE OF STRONG DIFFUSE-X-RAY SCATTERING FROM GOLD TWIST BOUNDARIES AT ROOM-TEMPERATURE. SCRIPTA METALL MATER, 23. pp. 1639-1644. ISSN 0036-9748

TAYLOR, MS and MAJID, I and BRISTOWE, PD and BALLUFFI, RW (1989) STRUCTURES OF [001] TWIST BOUNDARIES IN GOLD .1. MEASUREMENT AND USE OF ABSOLUTE BOUNDARY X-RAY STRUCTURE FACTORS. PHYS REV B, 40. pp. 2772-2778. ISSN 0163-1829

MAJID, I and BRISTOWE, PD and BALLUFFI, RW (1989) STRUCTURES OF [001] TWIST BOUNDARIES IN GOLD .2. RESULTS OBTAINED BY X-RAY-DIFFRACTION AND COMPUTER-SIMULATION. PHYS REV B, 40. pp. 2779-2792. ISSN 0163-1829

TARNOW, E and BRISTOWE, PD and JOANNOPOULOS, JD and PAYNE, MC (1989) PREDICTING THE STRUCTURE AND ENERGY OF A GRAIN-BOUNDARY IN GERMANIUM. J PHYS-CONDENS MAT, 1. pp. 327-333. ISSN 0953-8984

Payne, MC and Tarnow, E and Bristowe, PD and Joannopoulos, JD (1989) AB INITIO MATERIALS SCIENCE AND ENGINEERING USING THE MOLECULAR DYNAMICS METHOD FOR TOTAL ENERGY PSEUDOPOTENTIAL CALCULATIONS. MOLECULAR SIMULATION, 4. pp. 79-94. ISSN 0892-7022

PAYNE, MC and TARNOW, E and BRISTOWE, PD and JOANNOPOULOS, JD (1989) ABINITIO MATERIALS SCIENCE AND ENGINEERING USING THE MOLECULAR-DYNAMICS METHOD FOR TOTAL ENERGY PSEUDOPOTENTIAL CALCULATIONS. In: UNSPECIFIED.

BALLUFFI, RW and MAJID, I and BRISTOWE, PD (1989) ON THE DETERMINATION OF GRAIN-BOUNDARY STRUCTURE USING X-RAY-DIFFRACTION. In: UNSPECIFIED.

SCHWARTZ, D and BRISTOWE, PD and VITEK, V (1988) DISLOCATION-STRUCTURE AND ENERGY OF HIGH ANGLE [001] TWIST BOUNDARIES - A COMPUTER-SIMULATION STUDY. ACTA METALL MATER, 36. pp. 675-687. ISSN 0001-6160

PAYNE, MC and BRISTOWE, PD and JOANNOPOULOS, JD (1988) ABINITIO CALCULATION OF THE MICROSCOPIC PROPERTIES OF A GRAIN-BOUNDARY IN GERMANIUM. J PHYS-PARIS, 49. pp. 151-155. ISSN 0302-0738

MAJID, I and BRISTOWE, PD (1987) DYNAMIC SIMULATION OF STRUCTURAL MULTIPLICITY IN GRAIN-BOUNDARIES. SCRIPTA METALL MATER, 21. pp. 1153-1157. ISSN 0036-9748

Payne, MC and Bristowe, PD and Joannopoulos, JD (1987) Ab initio determination of the structure of a grain boundary by simulated quenching. Phys Rev Lett, 58. pp. 1348-1351.

Bristowe, PD (1986) COMPUTER SIMULATIONS OF THE STRUCTURE AND PROPERTIES OF GRAIN BOUNDARY DISLOCATIONS. Transactions of the Japan Institute of Metals, Supplement, 27. pp. 89-98.

BALLUFFI, RW and BRISTOWE, PD and BABCOCK, SE and CHAN, SW and KVAM, EP and LIU, JS (1985) ON COMPARISONS BETWEEN COMPUTED AND OBSERVED GRAIN-BOUNDARY STRUCTURES AND PROPERTIES IN METALS. J PHYS-PARIS, 46. pp. 267-280. ISSN 0302-0738

BRISTOWE, PD and BALLUFFI, RW (1985) STRUCTURAL UNIT GRAIN-BOUNDARY DISLOCATION MODEL FOR TWIST BOUNDARIES IN CUBIC-CRYSTALS. J PHYS-PARIS, 46. pp. 155-170. ISSN 0302-0738

BRISTOWE, PD and BALLUFFI, RW (1984) EFFECT OF SECONDARY RELAXATIONS ON DIFFRACTION FROM HIGH-SIGMA [001] TWIST BOUNDARIES. SURF SCI, 144. pp. 14-27. ISSN 0039-6028

BALLUFFI, RW and BRISTOWE, PD (1984) ON THE DETECTION OF EXPANSION AT LARGE-ANGLE GRAIN-BOUNDARIES USING ELECTRON-DIFFRACTION. SCRIPTA METALL MATER, 18. pp. 617-620. ISSN 0036-9748

BALLUFFI, RW and BRISTOWE, PD (1984) ON THE STRUCTURAL UNIT GRAIN-BOUNDARY DISLOCATION MODEL FOR GRAIN-BOUNDARY STRUCTURE. SURF SCI, 144. pp. 28-43. ISSN 0039-6028

BRISTOWE, PD (1984) PROCEEDINGS OF SYMPOSIUM ON COMPUTER-SIMULATION IN THE STUDY OF SOLID SOLID INTERFACES, PHILADELPHIA, PA, USA, 3-6 OCTOBER 1983 - PREFACE. SURF SCI, 144. R7-R7. ISSN 0039-6028

Balluffi, RW and Bristowe, PD and Brokman, A (1983) STRUCTURE OF LARGE-ANGLE GRAIN BOUNDARIES IN METALS AND CERAMIC OXIDES. Advances in Ceramics, 6. pp. 15-35. ISSN 0730-9546

BRISTOWE, PD (1983) ON THE EFFECTIVENESS OF COMPUTER MODELING IN PREDICTING THE OBSERVED STRUCTURE AND PROPERTIES OF GRAIN-BOUNDARIES. JOM-J MIN MET MAT S, 35. A3-A3. ISSN 0148-6608

BUDAI, J and BRISTOWE, PD and SASS, SL (1983) THE PROJECTED ATOMIC-STRUCTURE OF A LARGE-ANGLE [001] SIGMA = 5 (THETA = 36.9-DEGREES) TWIST BOUNDARY IN GOLD - DIFFRACTION ANALYSIS AND THEORETICAL PREDICTIONS. ACTA METALL MATER, 31. pp. 699-712. ISSN 0001-6160

BRISTOWE, PD (1982) COMPUTER MODELING OF GRAIN-BOUNDARIES IN CUBIC METALS. J PHYS-PARIS, 43. pp. 33-43. ISSN 0302-0738

BRISTOWE, PD (1982) STRUCTURE AND ENERGIES OF POINT-DEFECTS IN GRAIN-BOUNDARIES. JOM-J MIN MET MAT S, 34. p. 62. ISSN 0148-6608

BROKMAN, A and BRISTOWE, PD and BALLUFFI, RW (1981) ATOMISTIC FACETING OF ASYMMETRIC TILT BOUNDARIES. SCRIPTA METALL MATER, 15. pp. 201-206. ISSN 0036-9748

BROKMAN, A and BRISTOWE, PD and BALLUFFI, RW (1981) COMPUTER-SIMULATION STUDY OF THE STRUCTURE OF VACANCIES IN GRAIN-BOUNDARIES. J APPL PHYS, 52. pp. 6116-6127. ISSN 0021-8979

BALLUFFI, RW and KWOK, T and BRISTOWE, PD and BROKMAN, A and HO, PS and YIP, S (1981) DETERMINATION OF VACANCY MECHANISM FOR GRAIN-BOUNDARY SELF-DIFFUSION BY COMPUTER-SIMULATION. SCRIPTA METALL MATER, 15. pp. 951-956. ISSN 0036-9748

KWOK, T and HO, PS and YIP, S and BALLUFFI, RW and BRISTOWE, PD and BROKMAN, A (1981) EVIDENCE FOR VACANCY MECHANISM IN GRAIN-BOUNDARY DIFFUSION IN BCC IRON - A MOLECULAR-DYNAMICS STUDY. PHYS REV LETT, 47. pp. 1148-1155. ISSN 0031-9007

BALLUFFI, RW and BRISTOWE, PD and SUN, CP (1981) STRUCTURE OF HIGH-ANGLE GRAIN-BOUNDARIES IN METALS AND CERAMIC OXIDES. J AM CERAM SOC, 64. pp. 23-34. ISSN 0002-7820

BUDAI, JD and BRISTOWE, PD and DONALD, AM and SASS, SL (1981) X-RAY-DIFFRACTION STUDY OF THE STRUCTURE OF GRAIN-BOUNDARIES IN AU AND AG. JOM-J MIN MET MAT S, 33. A63-A64. ISSN 0148-6608

BRISTOWE, PD and SASS, SL (1980) THE ATOMIC-STRUCTURE OF A LARGE-ANGLE [001] TWIST BOUNDARY IN GOLD DETERMINED BY A JOINT COMPUTER MODELING AND X-RAY-DIFFRACTION STUDY. ACTA METALL MATER, 28. pp. 575-588. ISSN 0001-6160

BRISTOWE, PD and SASS, SL (1980) A JOINT COMPUTER MODELING AND DIFFRACTION STUDY OF THE STRUCTURE OF [001] TILT BOUNDARIES. JOM-J MIN MET MAT S, 32. p. 28. ISSN 0148-6608

BRISTOWE, PD and BROKMAN, A (1980) ON THE VOLUME DEPENDENCE OF COMPUTED GRAIN-BOUNDARY ENERGY. SCRIPTA METALL MATER, 14. pp. 1129-1133. ISSN 0036-9748

BRISTOWE, PD and BROKMAN, A and SPAEPEN, F and BALLUFFI, RW (1980) SIMULATION OF THE STRUCTURE OF VACANCIES IN HIGH ANGLE GRAIN-BOUNDARIES. SCRIPTA METALL MATER, 14. pp. 943-950. ISSN 0036-9748

BROKMAN, A and BRISTOWE, PD and BALLUFFI, RW (1980) A STUDY OF THE INTERACTION OF VACANCIES WITH GRAIN-BOUNDARIES IN METALS USING MOLECULAR STATICS. JOM-J MIN MET MAT S, 32. p. 39. ISSN 0148-6608

CROCKER, AG and BRISTOWE, PD (1979) IN PLANE TRANSLATIONS AT CRYSTALLINE INTERFACES. ARCH MECH, 31. pp. 3-14. ISSN 0373-2029

MILLER, KM and BRISTOWE, PD (1978) COMPUTER-SIMULATION OF POINT-DEFECTS AND PLANAR DEFECTS IN NICKEL. PHYS STATUS SOLIDI B, 86. pp. 93-102. ISSN 0370-1972

BRISTOWE, PD and CROCKER, AG (1978) STRUCTURE OF HIGH-ANGLE (001) CSL TWIST BOUNDARIES IN FCC METALS. PHILOS MAG A, 38. pp. 487-502. ISSN 0141-8610

BRISTOWE, PD and CROCKER, AG (1977) COMPUTER-SIMULATION STUDY OF STRUCTURE OF TWINNING DISLOCATIONS IN BODY-CENTERED CUBIC METALS. ACTA METALL MATER, 25. pp. 1363-1371. ISSN 0001-6160

CROCKER, AG and BRISTOWE, PD (1977) SYMMETRIC VARIATIONS OF INTERFACIAL ENERGIES. PHILOS MAG, 35. pp. 1667-1669. ISSN 0031-8086

Bristowe, PD and Crocker, AG (1976) COMPUTER SIMULATION STUDY OF THE STRUCTURE OF TWIN BOUNDARIES AND TWINNING DISLOCATIONS IN BODY CENTRED CUBIC CRYSTALS. pp. 363-367.

Bristowe, PD and Crocker, AG (1976) COMPUTER SIMULATION STUDY OF THE STRUCTURE OF TWIN BOUNDARIES AND TWINNING DISLOCATIONS IN BODY CENTRED CUBIC METALS. Nucl Metall, 20. pp. 365-376.

INGLE, KW and BRISTOWE, PD and CROCKER, AG (1976) COMPUTER-SIMULATION STUDY OF INTERACTION OF VACANCIES WITH TWIN BOUNDARIES IN BODY-CENTERED CUBIC-CRYSTALS. PHILOS MAG, 33. pp. 663-674. ISSN 0031-8086

BRISTOWE, PD and CROCKER, AG (1976) ZONAL TWINNING DISLOCATIONS IN BODY-CENTERED CUBIC-CRYSTALS. PHILOS MAG, 33. pp. 357-362. ISSN 0031-8086

BRISTOWE, PD and CROCKER, AG (1975) COMPUTER-SIMULATION STUDY OF STRUCTURES OF TWIN BOUNDARIES IN BODY-CENTERED CUBIC-CRYSTALS. PHILOS MAG, 31. pp. 503-517. ISSN 0031-8086

Crocker, EG and Bristowe, PD (1974) On symmetric variations of fault energies. Acta Crystallographica Section A, 30. pp. 855-856. ISSN 0567-7394

BRISTOWE, PD and CROCKER, AG and NORGETT, MJ (1974) STRUCTURE OF TWIN BOUNDARIES IN BODY CENTERED CUBIC METALS. J PHYS F MET PHYS, 4. pp. 1859-1864. ISSN 0305-4608

CROCKER, AG and BRISTOWE, PD (1974) SYMMETRIC VARIATIONS OF FAULT ENERGIES. ACTA CRYSTALLOGR A, A 30. pp. 855-856. ISSN 0108-7673