• Karolina Z. Milowska, Marek Burda, Lidia Wolanicka, Paul D. Bristowe and Krzysztof K. K. Koziol (2019), Carbon nanotube functionalization as a route to enhancing the electrical and mechanical properties of Cu-CNT composites , Nanoscale 11, 145-157

• Hayden Evans et al (2019), Polymorphism in M(H₂PO₂)₃ (M = V, Al, Ga) compounds with the perovskite-related ReO₃ structure, Chem. Comm. 55, 2964-2967 

• Fengxia Wei, Zeyu Deng, Shijing Sun, Noor Titan Putri Hartono, Hwee Leng Seng, Tonio Buonassisi, Paul D. Bristowe and Anthony K. Cheetham (2019), Enhanced visible light absorption for lead-free double perovskite Cs₂AgSbBr₆, Chem. Comm. 55, 3721-3724

• Fengxia Wei, Federico Brivio, Yue Wu, Shijing Sun, Paul D. Bristowe and Anthony K. Cheetham (2018), Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs₃Fe₂Br₉, J. Mater. Chem. C 6, 3573-3577

• Eric Schmidt, Andrew T. Fowler, James A. Elliott and Paul D. Bristowe (2018) Learning models for electron densities with Bayesian regression, Comput. Mater. Sci. 149, 250-258

• Robert L. Z. Hoye, Lissa Eyre, Fengxia Wei, Federico Brivio, Aditya Sadhanala, Shijing Sun, Weiwei Li, Kelvin H. L. Zhang, Judith L. MacManus-Driscoll, Paul D. Bristowe, Richard H. Friend, Anthony K. Cheetham and Felix Deschler (2018), Fundamental carrier lifetime exceeding 1 μs in Cs₂AgBiBr₆ double perovskite, Adv. Mater. Interfaces 180046

• Zeyu Deng, Gregor Kieslich, Paul D. Bristowe, Anthony K. Cheetham and Shijing Sun (2018), Octahedral connectivity and its role in determining the phase stabilities and electronic structures of low-dimensional, perovskite-related iodoplumbates, APL Materials 6, 114202

• Jung-Hoon Lee, Zeyu Deng, Nicholas C. Bristowe, Paul D. Bristowe and Anthony K. Cheetham (2018), The competition between mechanical stability and charge carrier mobility in MA-based hybrid perovskites: insight from DFT, J. Mater. Chem. C  6, 12252-12259

• Tom Furnival, Daniel Knez, Eric Schmidt, Rowan K. Leary, Gerald Kothleitner, Ferdinand Hofer, Paul D. Bristowe and Paul A. Midgley (2018), Adatom dynamics and the surface reconstruction  of Si (110) revealed using time-resolved electron microscopy, Appl. Phys. Lett. 113, 183104 

• Tianwei Wang and Paul D. Bristowe (2018), A predictive modeling study of the impact of chemical doping on the strength of a Ag/ZnO interface, J. Appl. Phys. 124, 235304

• Joas Grossi, Shafqat H. Shah, Emilio Artacho and Paul D. Bristowe (2018), Effect of magnetism and temperature on the stability of  (Cr_x,V_1-x)₂AlC phases, Phys. Rev. Materials 2, 123603

• Tom Furnival, Rowan K. Leary, Eric C. Tyo, Stefan Vajda, Quentin M. Ramasse, John Meurig Thomas, Paul D. Bristowe and Paul A. Midgley (2017), Anomalous diffusion of single metal atoms on a graphene oxide support, Chemical Physics Letters 683, 370-374

• Eric Schmidt and Paul D Bristowe (2017), Identifying early stage precipitation in large-scale atomistic simulations of superalloys, Modelling Simul. Mater. Sci. Eng. 25, 035005
  
  
• David Janas, Karolina Z. Milowska, Paul D. Bristowe and Krzysztof K. K. Koziol (2017), Improving the electrical properties of carbon nanotubes with inter halogen compounds, Nanoscale 9, 3212

• Fengxia Wei, Zeyu Deng, Shijing Sun, Fenghua Zhang, Donald M. Evans, Gregor Kieslich, Satoshi Tominaka, Michael A. Carpenter, Jie Zhang, Paul D. Bristowe, and Anthony K. Cheetham (2017), Synthesis and Properties of a Lead-Free Hybrid Double Perovskite: (CH3NH3)2AgBiBr6, Chem. Mater., 29 (3), 1089–1094

• Karolina Z. Milowska, Mahdi Ghorbani-Asl, Marek Burda, Lidia Wolanicka, Nordin Ćatić, Paul D. Bristowe and  Krzysztof K. K. Koziol (2017), Breaking the electrical barrier between copper and carbon nanotubes, Nanoscale 9, 8458

• Shijing Sun,  Zeyu Deng,  Yue Wu,  Fengxia Wei,  Furkan Isikgor,  Federico Brivio,  Michael Gaultois,  Jianyong Ouyang,  Paul Bristowe,  Tony Cheetham  and  Gregor Kieslich (2017), Variable temperature and high-pressure crystal chemistry of perovskite formamidinium lead iodide: a single crystal X-ray diffraction and computational study, Chemical Communications 53, 7537-7540

• Shijing Sun, Furkan H. Isikgor, Zeyu Deng, Fengxia Wei, Gregor Kieslich, Paul D. Bristowe, Jianyong Ouyang and Anthony K. Cheetham (2017), Factors influencing the mechanical properties of formamidinium lead halides and related hybrid perovskites, ChemSusChem 10, 3740-3745
  
  
• Tianwei Wang and Paul D. Bristowe (2017), Controlling Ag diffusion in ZnO by donor doping: A first principles study, Acta Materialia 137, 115 - 122

• Shafqat Shah and Paul D. Bristowe (2017), Point defect formation in M₂AlC (M = Zr, Cr) MAX phases and their tendency to disorder and amorphize, Sci. Rep. 7, 9667

• Zeyu Deng, Fengxia Wei, Federico Brivio, Yue Wu, Shijing Sun, Paul D. Bristowe and Anthony K. Cheetham (2017), Synthesis and Characterisation of the Rare-Earth Hybrid Double Perovskites: (CH3NH3)2KGdCl6 and (CH3NH3)2KYCl6, J. Phys. Chem. Lett. 8, 5015-5020

• Yue Wu, Sammy M. Shaker, Federico Brivio, Ramaswamy Murugavel, Paul D. Bristowe and Anthony K. Cheetham (2017), [Am]Mn(H2POO)3: a new family of hybrid perovskites based on the hypophosphite ligand, J. Am. Chem. Soc. 139, 16999-17002

• Muñoz Ramo, D and Bristowe, PD (2016) Impact of amorphization on the electronic properties of Zn-Ir-O systems. J Phys Condens Matter, 28. 345502-.

• Wei, F and Deng, Z and Sun, S and Xie, F and Kieslich, G and Evans, DM and Carpenter, MA and Bristowe, PD and Cheetham, AK (2016) The synthesis, structure and electronic properties of a lead-free hybrid inorganic-organic double perovskite (MA)2KBiCl6 (MA = methylammonium). Materials Horizons, 3. pp. 328-332. ISSN 2051-6347

• Lee, JH and Bristowe, NC and Lee, JH and Lee, SH and Bristowe, PD and Cheetham, AK and Jang, HM (2016) Resolving the Physical Origin of Octahedral Tilting in Halide Perovskites. Chemistry of Materials, 28. pp. 4259-4266. ISSN 0897-4756

• Sun, S and Tominaka, S and Lee, JH and Xie, F and Bristowe, PD and Cheetham, AK (2016) Synthesis, crystal structure, and properties of a perovskite-related bismuth phase, (NH4)3Bi2I9. APL Materials, 4, 031101

• Ghorbani-Asl, M and Bristowe, PD and Koziol, K and Heine, T and Kuc, A (2016) Effect of compression on the electronic, optical and transport properties of MoS<inf>2</inf>/graphene-based junctions. 2D Materials, 3, 025017

• Deng, Zeyu; Wei, Fengxia; Sun, Shijing; et al. (2016) Exploring the properties of lead-free hybrid double perovskites using a combined computational-experimental approach Journal of Materials Chemistry A, 4, 31, pp. 12025-12029  

• 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 

• Ghorbani-Asl, M and Bristowe, PD and Koziol, K (2015) A computational study of the quantum transport properties of a Cu-CNT composite. Phys Chem Chem Phys, 17. pp. 18273-18277.

• Lee, JH and Bristowe, NC and Bristowe, PD and Cheetham, AK (2015) Role of hydrogen-bonding and its interplay with octahedral tilting in CH3NH3PbI3. Chem Commun (Camb), 51. pp. 6434-6437.

• Eurich, NC and Bristowe, PD (2015) Segregation of alloying elements to intrinsic and extrinsic stacking faults in γ′-Ni3Al via first principles calculations. Scripta Materialia, 102. pp. 87-90. ISSN 1359-6462

• Muñoz Ramo, D and Bristowe, PD (2014) The effect of defects and disorder on the electronic properties of ZnIr2O4. J Chem Phys, 141. 084704-.

• Muñoz Ramo, D and Chroneos, A and Rushton, MJD and Bristowe, PD (2014) Effect of trivalent dopants on local coordination and electronic structure in crystalline and amorphous ZnO. Thin Solid Films, 555. pp. 117-121. ISSN 0040-6090

• Muñoz Ramo, D and Bristowe, PD (2014) Hybrid density functional calculations of the defect properties of ZnO:Rh and ZnO:Ir. Thin Solid Films, 555. pp. 112-116. ISSN 0040-6090

• Körner, W and Urban, DF and Ramo, DM and Bristowe, PD and Elsässer, C (2014) Prediction of subgap states in Zn- and Sn-based oxides using various exchange-correlation functionals. Physical Review B - Condensed Matter and Materials Physics, 90. ISSN 1098-0121

• Jiang, X and Zhao, S and Lin, Z and Luo, J and Bristowe, PD and Guan, X and Chen, C (2014) The role of dipole moment in determining the nonlinear optical behavior of materials: Ab initio studies on quaternary molybdenum tellurite crystals. Journal of Materials Chemistry C, 2. pp. 530-537. ISSN 2050-7534

• Eurich, NC and Bristowe, PD (2014) Thermodynamic stability and electronic structure of η-Ni 6Nb(Al,Ti) from first principles. Scripta Materialia, 77. pp. 37-40. ISSN 1359-6462

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