Imperial College London
Portrait Picture

Professor Michael W. Finnis

Faculty of Engineering, Department of Materials

Chair in Materials Theory and Simulation
 
 
 
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Contact

 

+44 (0)20 7594 6812m.finnis Website

 
 
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Location

 

2.27BRoyal School of MinesSouth Kensington Campus

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Summary

 

Publications

Publication Type
Year
to

207 results found

McComb DW, Ostanin S, Vlachos D, Craven AJ, Finnis MW, Paxton AT, Alavi Aet al., 2002, The use of XANES and ELNES for the characterization of stabilized zirconia, Materials Research Society Symposium Proceedings, Vol: 699, Pages: 161-166, ISSN: 0272-9172

Journal article

Ghezzi F, Earnshaw JC, Finnis M, McCluney Met al., 2002, Morphological analysis of the effects of ions and ultraviolet light on colloidal monolayers at the air-water interface, Journal of Colloid and Interface Science, Vol: 251, Pages: 288-303, ISSN: 0021-9797

Journal article

Finnis M, 2001, Interatomic forces in materials, MATERIALS WORLD, Vol: 9, Pages: 14-16, ISSN: 0967-8638

Journal article

Hashibon A, Adler J, Finnis MW, Kaplan WDet al., 2001, Ordering at solid-liquid interfaces between dissimilar materials, International Conference on Intergranula and Interphase Boundaries (iib2001), Publisher: KLUWER ACADEMIC PUBL, Pages: 175-181, ISSN: 0927-7056

Conference paper

Lozovoi AT, Alavi A, Finnis MW, 2001, Surface energy and the early stages of oxidation of NiAl(110), COMPUTER PHYSICS COMMUNICATIONS, Vol: 137, Pages: 174-194, ISSN: 0010-4655

Journal article

Schweinfest R, Köstlmeier S, Ernst F, Elsässer C, Wagner T, Finnis MWet al., 2001, Atomistic and electronic structure of Al/MgAl<sub>2</sub>O<sub>4</sub> and Ag/MgAl<sub>2</sub>O<sub>4</sub> interfaces, PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, Vol: 81, Pages: 927-955, ISSN: 0141-8610

Journal article

Marks NA, Finnis MW, Harding JH, Pyper NCet al., 2001, A physically transparent and transferable compressible ion model for oxides, JOURNAL OF CHEMICAL PHYSICS, Vol: 114, Pages: 4406-4414, ISSN: 0021-9606

Journal article

Fabris S, Paxton AT, Finnis MW, 2001, Free energy and molecular dynamics calculations for the cubic-tetragonal phase transition in zirconia, PHYSICAL REVIEW B, Vol: 63, ISSN: 2469-9950

Journal article

Ghezzi F, Earnshaw JC, Finnis M, McCluney Met al., 2001, Pattern formation in colloidal monolayers at the air-water interface, Journal of Colloid and Interface Science, Vol: 238, Pages: 433-446, ISSN: 0021-9797

Journal article

Ostanin S, Craven AJ, McComb DW, Vlachos D, Alavi A, Finnis MW, Paxton ATet al., 2000, Effect of relaxation on the oxygen <i>K</i>-edge electron energy-loss near-edge structure in yttria-stabilized zirconia, PHYSICAL REVIEW B, Vol: 62, Pages: 14728-14735, ISSN: 2469-9950

Journal article

Thomson DI, Heine V, Payne MC, Marzari N, Finnis MWet al., 2000, Insight into gallium behavior in aluminum grain boundaries from calculation on Σ=11 (113) boundary, ACTA MATERIALIA, Vol: 48, Pages: 3623-3632, ISSN: 1359-6454

Journal article

Batyrev IG, Alavi A, Finnis MW, 2000, Equilibrium and adhesion of Nb/sapphire: The effect of oxygen partial pressure, PHYSICAL REVIEW B, Vol: 62, Pages: 4698-4706, ISSN: 2469-9950

Journal article

Lozovoi AY, Alavi A, Finnis MW, 2000, Surface stoichiometry and the initial oxidation of NiAl(110), PHYSICAL REVIEW LETTERS, Vol: 85, Pages: 610-613, ISSN: 0031-9007

Journal article

Fabris S, Paxton AT, Finnis MW, 2000, Relative energetics and structural properties of zirconia using a self-consistent tight-binding model, PHYSICAL REVIEW B, Vol: 61, Pages: 6617-6630, ISSN: 2469-9950

Journal article

Alavi A, Lozovoi AY, Finnis MW, 1999, Pressure-induced isostructural phase transition in Al-rich NiAl allays, PHYSICAL REVIEW LETTERS, Vol: 83, Pages: 979-982, ISSN: 0031-9007

Journal article

Batirev IG, Alavi A, Finnis MW, Deutsch Tet al., 1999, First-principles calculations of the ideal cleavage energy of bulk niobium(111)/α-alumina(0001) interfaces, PHYSICAL REVIEW LETTERS, Vol: 82, Pages: 1510-1513, ISSN: 0031-9007

Journal article

Lozovoi AY, Alavi A, Korzhavyi PA, Finnis MWet al., 1999, Point defects in NiAl alloys under pressure, International alloy conference; Properties of complex inorganic solids 2 2nd Davos, Switzerland, Publisher: New York; London; Kluwer Academic; 1999, Pages: 439-454

Conference paper

Batyrev I, Alavi A, Finnis MW, 1999, <i>Ab initio</i> calculations on the Al<sub>2</sub>O<sub>3</sub>(0001) surface, Meeting on the Surface Science of Metal Oxides, Publisher: ROYAL SOC CHEMISTRY, Pages: 33-43, ISSN: 1359-6640

Conference paper

Ackland GJ, Bird DM, Bristowe PD, Finnis MW, Gillan MJ, Heine V, Madden PA, Payne MC, Sutton APet al., 1999, New vistas for first-principles simulation, High Performance Computing, Editors: Simpson, Henty, Nicole, Publisher: Kluwer/Plenum

Book chapter

Finnis MW, Paxton AT, Methfessel M, van Schilfgaarde Met al., 1998, Crystal structures of zirconia from first principles and self-consistent tight binding, PHYSICAL REVIEW LETTERS, Vol: 81, Pages: 5149-5152, ISSN: 0031-9007

Journal article

Finnis MW, Walker AB, Gumbsch P, 1998, Representations of the local atomic density, JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 10, Pages: 7983-7993, ISSN: 0953-8984

Journal article

Schmidt C, Finnis MW, Ernst F, Vitek Vet al., 1998, Theoretical and experimental investigations of structures and energies of Σ = 3, [112] tilt grain boundaries in copper, PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, Vol: 77, Pages: 1161-1184, ISSN: 0141-8610

Journal article

Kostlmeier S, Elsasser C, Meyer B, Finnis MWet al., 1998, A density functional study of interactions at the metal-ceramic interfaces Al/MgAl<sub>2</sub>O<sub>4</sub> and Ag/MgAl<sub>2</sub>O<sub>4</sub>, PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE, Vol: 166, Pages: 417-428, ISSN: 1862-6300

Journal article

Finnis MW, 1998, Accessing the excess: An atomistic approach to excesses at planar defects and dislocations in ordered compounds, PHYSICA STATUS SOLIDI A-APPLIED RESEARCH, Vol: 166, Pages: 397-416, ISSN: 0031-8965

Journal article

Hagen M, Finnis MW, 1998, Point defects and chemical potentials in ordered alloys, PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, Vol: 77, Pages: 447-464, ISSN: 0141-8610

Journal article

Schroll R, Finnis MW, Gumbsch P, 1998, Energies of defects in ordered alloys: Dislocation core energies in NiAl, ACTA MATERIALIA, Vol: 46, Pages: 919-926, ISSN: 1359-6454

Journal article

Finnis MW, 1998, Accessing the excess: An atomistic approach to excesses at planar defects and dislocations in ordered compounds, Physica Status Solidi (A) Applied Research, Vol: 166, Pages: 397-416, ISSN: 0031-8965

The concept of thermodynamic excesses at interfaces in inulticomponent systems is generalised to crystalline materials in a way which makes it useful for practical atomistic calculations. It is necessary to terminate the region around the defect on the atomic scale in a way which is consistent with macroscopic thermodynamics, and this problem is solved by introducing a tapered termination, equivalent to averaging over an ensemble of terminations distributed broadly on the atomic scale. The approach leads to a unique definition of excesses which generalises the notion of a charged interface or polar interface. Five different situations are distinguished: (i) grain boundaries, (ii) a heterogeneous interface with more than two components, (iii) a heterogeneous interface in a two component system, (iv) free surfaces, and (v) dislocations. The simple example of a magnetite (Fe3O4) (111) surface is treated. General formula are also given for excess free energies of extended planar defects and their dependence on the chemical potentials and excesses of the components.

Journal article

Marks NA, Fabris S, Finnis MW, 1998, A Coupled Compressible and Polarizable Ionic Model Applied to Oxide Crystal Structures, Solid-state chemistry of inorganic materials Symposium; 2nd Boston MA, Publisher: Warrendale PA; Materials Research Society; 1999, Pages: 197-202

Conference paper

Thomson DI, Heine V, Finnis MW, Marazi Net al., 1997, Ab initio computational study of Ga in an Al grain boundary, PHILOSOPHICAL MAGAZINE LETTERS, Vol: 76, Pages: 281-287, ISSN: 0950-0839

Journal article

Koetlmeier S, Elsaesser C, Meyer B, Finnis Met al., 1997, Ab Initio Study of Electronic and Geometric Structures of Metal/Ceramic Heterophase Boundaries, Microscopic simulation of interfacial phenomena in solids and liquids Symposium Boston MA, Publisher: Pittsburgh PA; Materials Research Society; 1998, Pages: 97-102

Conference paper

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