TCM Publications in 1994
- I. V. ABARENKOV "The resonating-valence-bond state; the singlet
ground state" J. Phys. Condens. Matter 6, 7505-7519 (1994).
- S. M. AHARONI and S. F. EDWARDS "Rigid Polymer Networks" Advances
in Polymer Science 118, Springer Verlag ISBN 3-540-58340-8 (1994).
- S. M. AHARONI and S. F. EDWARDS "Polyamide networks with stiff
'Liquid Crystalline' segments and trifurcated flexible junctions"
Polymer 35, 1298-1305 (1994).
- J. F. ANNETT, W.i.C. FOULKES and R. HAYDOCK "Recursive solution of
Heisenberg's equation and its Interpretation" J. Phys. Condens.
Matter 6, 6455-6475 (1994).
- M.N. ARAUJO and D.E. KHMELNITSKII "Possible electron-phonon
instabilities in 2-dimensional Bloch-electron systems in
magnetic-fields" J. Phys. Condens Matter 6, 8839, (1994).
- R.C. BALL, J.R. MELROSE and A. WEST " Aggregated colloids under
flow" Nuovo Cimento della Societa Italiana di Fisica D-condensed
matter atomic molecular and chemical physics fluids plasmas
biophysics 16, 1177-1180 (1994).
- O.F. BANDTLOW and P.V. COVENEY "On the discrete-time version of
the Brussels formalism" J. Phys A: Math and Gen 27, 7939-7955 (1994).
- F. BARDOU, J.P. BOUCHAUD, O. EMILE, A. ASPECT and C.
COHEN-TANNOUDJI "Subrecoil laser cooling and Levy flights" Phys.
Rev. Letters 72, 203-206 (1994).
- P. BLADON, E. M. TERENTJEV and M. WARNER "Deformation-induced
orientational transitions in liquid crystal elastomers" J. de
Physique II 4, 75-91 (1994).
- P. BLADON, M. WARNER and E. M. TERENTJEV "Orientational order in
strained nematic networks" Macromolecules 27, 7067-7075 (1994).
- J. P BOUCHAUD, M. E. CATES, R. PRAKASH and S. F. EDWARDS "A model
for the dynamics of sandpile surfaces" J. de Physique II, 4,
1383-1410 (1994).
- J. P. BOUCHAUD "Pinning and correlations in the vortex phase"
proceedings of Cargese summer school 1993: "Vortices in
Superfluids" ed. N. Bontemps, (Kluwer 1994).
- J. P. BOUCHAUD, E. VINCENT and J. HAMMANN "Towards an experimental
determination of the number of metastable states in spin glasses"
J. de Physique II, 4, 139-146 (1994).
- A. M. BRATKOVSKY, E.K.H. SALJE, S.C. MARAIS and V. HEINE "Theory
and computer simulation of tweed texture" Phase Transitions 48,
1-13 (1994).
- A. M. BRATKOVSKY, S. MARAIS, V. HEINE and E. K. H. SALJE "Theory
of fluctuations and texture embryos in structural phase
transitions mediated by strain" J. Phys. Condens. Matter 6,
3679-3696 (1994).
- A. M. BRATKOVSKY, E. K. H. SALJE and V. HEINE "Overview of the
origin of tweed texture" Phase Transitions 52, 77-83 (1994).
- M. E. CATES "Theoretical modelling of viscoelastic phases" in
Structure and Flow in Surfactant Solutions, C. A. Herb and R K
Prud'homme, eds. ACS Books, Symposium series vol. 578, Washington
(1994).
- M. E. CATES "Polymers, both living and dead" in Fundamental
Problems in Statistical Mechanics, (Proc. of Altenberg Summer
School) eds. H. van Beijeren & M.H. Ernst. North Holland,
Amsterdam (1994).
- F. CICCACCI, S. De ROSSI, A. TAGLIA and S. CRAMPIN "Unoccupied
electronic states in Au(100) surfaces" Phys. Rev. B 49, 14035
(1994).
- S.J. CLARK, G. J. ACKLAND, J.CRAIN and M. C. PAYNE "Very low
energy silicon surface" Phys. Rev. B50, 5728 (1994).
- P. V. COVENEY and A. K. EVANS "Canonical non-equilibrium ensembles
and sub-dynamics", J. Stat. Phys. 77, 229-258 (1994).
- J. CRAIN, S. J. CLARK, G. J. ACKLAND, M. C. PAYNE, V. MILMAN, P.
D. HATTON and B. J. REID "Theoretical study of high-density
phases of covalent semiconductors I. Ab initio treatment" Phys.
Rev. B 49, 5329-40 (1994).
- J. CRAIN, G.J. ACKLAND, S.J. CLARK, Y.H. NAM, P.D. HATTON, J.S.
LIN, M.C. PAYNE and R.O. PELTZ, "Tetrahedral structures and phase
transition in III-V semiconductors" Phys. Rev. B 50, 8389 (1994).
- S. CRAMPIN "Partial wave summations in atomic-sphere surface
calculations" Phys. Rev. B49, 14 035-14 038 (1994).
- S. CRAMPIN, M. H. BOON and J. E. INGLESFIELD "Influence of bulk
states on laterally confined surface state electrons" Phys. Rev.
Letters 73, 1015 (1994).
- S. CRAMPIN "The Embedding Method for surface adsorption" Surface
Science 307-309, 41 (1994).
- S. CRAMPIN "Surface states as probes of buried impurities" J Phys.
Condens. Matter 6, L613-L618 (1994).
- J. CRAIN, G. J. ACKLAND, S. J. CLARK, Y. H. NAM, P. D. HATTON, J.
S. LIN, M. C. PAYNE and R. O. PILTZ "Tetrahedral structures and
phase transition in III-V semiconductors" Phys. Rev. B 50, 8389 (1994).
- S. DATTAGUPTA "A dynamical model of supercooled liquids" J.
Non-crystalline Solids 172, 197-200 (1994).
- R. DEL SOLE, L. REINING and R. W. GODBY "The GWGapproach to
electron self-energies in semiconductors and insulators" Phys.
Rev. B 49, 8024 (1994).
- A. DeVITA, V. HEINE AND J.D.C. McCONNELL "A First Principles
Investigation of Al/Si ordering." Proceeding of the European
Science Foundation Workshop on 'Kinetics of Cation Ordering' 3-4
Feb. 1994, Cambridge. A Putnis, ed. (European Science
Foundation, Strasbourg 1994).
- R. DIAS, A.J. SCHOFIELD and J.M. WHEATLEY "Hc2(T) as a probe of
anomalous normal-state correlations in Cuprates" Physica C, 235,
2263 (1994).
- M. DOVE, S. THAYAPARAM and V. HEINE "Energetics of Al/Si ordering
in silicates and the occasional problem of an apparent lack of
long-range ordering." Proceeding of the European Science
Foundation Workshop on 'Kinetics of Cation Ordering' 3-4 Feb.
1994, Cambridge. A Putnis, ed. (European Science Foundation,
Strasbourg 1994).
- S. F. EDWARDS "Introductory lecture" Faraday Discussion 98, 1-6 (1994).
- S. F. EDWARDS "The glass transition in polymers". Proceedings of
the Ian Ward Symposium, Leeds 21-23 April, 1993, Polymer 35,
3827-30 (1994).
- S. F. EDWARDS and K. D. PITHIA "The Evolution of liquid foams"
Physica A 205, 548-564 (1994).
- S. F. EDWARDS and K. D. PITHIA "Rheology of liquid foams " Physica
A 205, 565-576 (1994).
- S. F. EDWARDS and K. D. PITHIA "A note on the Aboav-Weaire Law"
Physica A 205, 577-584 (1994).
- S. F. EDWARDS and S. M. AHARONI "Glass transitions in polymer
molecules and networks". Proceedings of the EPS, Ulm Conference,
September 1993. Prog. Colloid and Polymer Science 96, 1-6 (1994).
- S. F. EDWARDS "The role of entropy in the specification of a
powder" in Granular Matter: An Interdisciplinary Approach.
Springer-Verlag, ed. A. Mehta, ISBN 0-387-94065-0 (1994).
- B. FARID, G. E. ENGEL, R. DALING and W. van HAERINGEN "Plasmons
and dynamic screening effects in crystals" Philosophical Mag.
B69, 901-910 (1994).
- R. W. GODBY and L. J. SHAM "Exchange-correlation potentials at
semiconductor interfaces" Phys. Rev. B 49, 1849-1859 (1994).
- K. D. HAMMONDS, M. T. DOVE, A. P GIDDY and V. HEINE "CRUSH: a
Fortran program for the analysis of the rigid unit mode spectrum
of a framework structure" Americ. Mineralogist (Software Notices)
79, 1207-1209 (1994).
- R. HAYDOCK "Solving electronic structure problems with the
recursion method" in Methods of Electronic Structure Calculation,
O.K. Andersen and V.J. Kumar, eds., (World Press: Singapore,
1994) pp. 124-147.
- V. HEINE "Ab initio simulation of complex processes in solids"
Comments on Condensed Matter Physics, 16, 379-385 (1994).
- V. HEINE, A. M. BRATKOVSKY and E. K. H. SALJE "The effect of
clamped and free boundaries on long range strain coupling in
structural phase transitions" Phase Transitions 52, 85-93 (1994).
- P. HU, D.A. KING, S. CRAMPIN, K-H. LEE and M.C. PAYNE "Gradient
corrections in density functional theory calculations for
surfaces: CO on Pd(110)" Chem. Phys. Letters 230, 501 (1994).
- B.D. JOSEPHSON "Music and mind - a theory of aesthetic dynamics
(with T. Carpenter)" in 'On Self-organisation', ed. R.K. Mishra,
D. Maass and E. Zwielein, Springer series in Synergetics Vol.
61, Springer, Heidleberg (1994) pp. 280-287.
- D. KHMELNITSKII and B. MUSYKANTSKII "Quantum shot noise in a
normal-metal - superconductor point contact" Phys. Rev. B 50,
3928-2987 (1994).
- D.E. KHMELNITSKII and M. YOSEFIN "Conductance fluctuations of 2D
electrons in strong magnetic field", Surface Science 305,
507-510 (1994).
- W. KNORR and R. W. GODBY "A quantum Monte Carlo study of
density-functional theory for a semiconducting wire" Phys. Rev. B
50, 1779 (1994).
- C. KRUSE, M. W. FINNIS, V. Y. MILMAN, M. C. PAYNE, A. de VITA, M.
J. GILLAN "First principles calculations for niobium atoms on a
sapphire surface" J. Amer. Ceram. Soc. 77, 431-6 (1994).
- K.W. KWAK, D. VANDERBIL and R.D. KING-SMITH "First-principles
study of antisite and interstitial phosphorus impurities in ZnSe"
Phys. Rev. B (Rapid Communications) 50, 2711 (1994).
- S. C. LAM and R. J. NEEDS "Theory of field ionization" Applied
Surface Science 76/77, 61-69 (1994).
- H. LARRALDE and G.H. WEISS "The expected number of sites visited
by N biased random walkers" Physica A 209, 361-368 (1994).
- J. S. LIN, M. C. PAYNE, V. HEINE and J. D. C. McCONNELL "Ab Initio
calculations on (OH)4 defects in a-Quartz" Phys. and Chem.
Minerals, 21, 150-155 (1994).
- G. LOUPIAS, R. WENTZCOVITTCH and S. TABII "Investigation of
electronic distribution in hexegonal BN by Compton scattering"
Phys. Rev. B 49, 13 342-347 (1994).
- C-Y D. LU and M. E. CATES "Viscoelasticity of lyotropic smectics"
J. Chem. Phys. 101, 5219 (1994).
- T. C. LUBENSKI, E. M. TERENTJEV and M. WARNER "Layer-network
coupling in smectic elastomers" J. de Physique II 4, 1457-1459 (1994).
- N. E. MADDOCKS, R. W. GODBY and R. J. NEEDS "Ab initio
calculations of the dynamic response of beryllium" Phys. Rev. B
(Rapid Communications) 49, 8502 (1994).
- N. E. MADDOCKS, R. W. GODBY and R. J. NEEDS "Band structure
effects in the dynamic response of aluminium" Europhys. Letters
27, 681 (1994).
- S. MARAIS, E. SALJE, V. HEINE and A. BRATKOVSKY "Strain related
microstructures in materials: a computer simulation study of a
simple model" Phase Transitions 48, 15-45 (1994).
- M. MARQUES, M.S. TURNER and M.E. CATES "Relaxation mechanisms in
worm-like micelles" J. Non-Crystalline Solids 172, 1168-1172
(1994).
- S. J. MARTIN, D. D. C. BRADLEY, M. WARNER, A. M. AHMED, W. J.
FEAST and J. TSIBOUKJLIS in "Organic Materials for Non Linear
Optics" Vol III, R. A. Hann and D. Bloor (eds.) The Royal Society
of Chemistry, London (1994).
- N. MARZARI, S. de GIRONCOLI and S. BARONI "Structure and phase
stability of GaxIn1-xP solid solutions from computational
alchemy" Phys. Rev. Letters 25, 4001-4 (1994).
- V. MILMAN, M-H. LEE and M. C. PAYNE "Ground state properties of
CoSi2 by total energy pseudopotential method" Phys. Rev. B 49,
16300 (1994).
- V. MILMAN, D. E. JESSON, S. J. PENNYCOOK, M. C. PAYNE, M-H LEE and
I. STICH "Large scale ab initio study of the binding and
diffusion of a Ge adatom on the Si(100) surface" Phys. Rev. B 50,
2663-2666 (1994).
- V. MILMAN, S. J. PENNYCOOK, D. E. JESSON, , M. C. PAYNE, and I.
STICH "Ab initio study of Ge adsorption and diffusion on Si(100)
surface" . Mechanisms of Thin Film Evolution', eds. S. M.
Yalisove, C. V. Thompson, D. J. Eaglesham, (Materials Research
Society 1994) 9.
- S. J. MORRIS, J. M. BASS, C. C. MATTHAI, V. MILMAN and M. C. PAYNE
"Reflectance anisotropy of reconstructed GaAs(001) surfaces" J.
Vac. Sci. Technol. B12, 2684 (1994).
- C. C. MOUNFIELD and S. F. EDWARDS "The statistical mechanics of
granular systems composed of elongated grains" Physica A 210,
279-289 (1994).
- C. C. MOUNFIELD and S. F. EDWARDS "The statistical mechanics of
granular systems composed of spheres and elongated grains"
Physica A 210, 290-300 (1994).
- C. C. MOUNFIELD and S. F. EDWARDS "A model for the packing of
irregularly shaped grains" Physica A 210, 301-316 (1994).
- B. A. MUZYKANTSKII and D. E. KHMELNITSKII "Quantum shot noise in a
normal metal superconductor point -contact" Phys. Rev. B 50,
3982-3987 (1994).
- B. A. MUZYKANTSKII and D. E. KHMELNITSKII "On Quantum Shot-Noise"
Physica B 203, 233-239 (1994)
- K.J. NASH, P. D. J. CALCOTT, L. T. CANHAM, A. G. CULLIS, M. J.
KANE, R. J..NEEDS, S. BHATTACHARJEE, A. J. READ and A. QTEISH
"Photoluminescence mechanisms in porous silicon" Proceedings of
the 22nd International Conference on the Physics of
Semiconductors, Vancouver (1994).
- R. J. NEEDS, S. BHATTERCHARJEE, K. J. NASH, A. QTEISH, A. J. READ
and L. T. CANHAM "First-principles calculations of band-edge
states of silicon quantum wires" Phys. Rev. B.50, 14223-14227
(1994).
- R. J. NEEDS, J. P. A. CHARLESWORTH and R. W. GODBY
"First-principles study of the effects of interface structure on
the Schottky barrier height of the A1-GaAs(110) Interface"
Europhys. Letters 25, 31-36 (1994).
- R. J. NEEDS, A. J. READ, K. J. NASH, S. BHATTARCHARJEE, A. QTEISH,
L. T. CANHAM and P.D.J. CALCOTT "A first principles study of the
electronic properties of silicon quantum wires" Physica A 207,
411-419 (1994).
- R.W. NUNES and D. VANDERBILT "Real-space approach to calculation
of electric polarization and dielectric constants" Phys. Rev.
Letters 73, 712 (1994).
- R.W. NUNES and D. VANDERBILT "Generalisation of the density-matrix
method to a non-orthogonal basis" Phys. Rev. B 50, 17611 (1994).
- R.B.S. OAKSHOTT and S.F. EDWARDS "Perturbative theory of the
packing of mixtures and of nonspherical particles" Physica A 202,
482-498 (1994).
- P. D. OLMSTED and S. T. MILNER "Strain-induced nematic phase
separation in polymer melts and gels" Macromolecules 27,
6648-6660 (1994).
- P. D. OLMSTED "Rotational invariance and Goldstone modes in
nematic elastomers and gels" J de Physique II 4, 2215-2230 (1994).
- M. PALUMMO, L. REINING, R. W. GODBY, C. M. BERTONI and NILS
BORNSEN "Electronic structure of cubic GaN with self-energy
corrections" Europhys. Letters 26, 607 (1994).
- J. R. PRAKASH, J-P BOUCHAUD and S. F EDWARDS "Long time, large
scale properties of the noisy driven diffusion equation"
Proc.Roy.Soc.(London) A, 446, 67-85 (1994).
- A. QTEISH, R. J. NEEDS and V. HEINE "Polarization, structural and
electronic properties of SiC polytypes" Computational Materials
Science 2, 389-394 (1994).
- A. QTEISH and R. J. NEEDS "Ab-initio pseudopotential calculations
of the valence band offset at HgTe/CdTe, HgTe/InSb and CdTe/InSb
interfaces: transitivity and orientation dependence"
Computational Materials Science 2, 395-399 (1994).
- G. RAJAGOPAL and R.J. NEEDS "An optimised Ewald method for
long-ranged potentials" J. Computational Physics 115, 399-405
(1994).
- G. RAJAGOPAL, R. J. NEEDS, S. KENNY, W. M. C. FOULKES and A. JAMES
"Quantum Monte Carlo calculations for solids using special k-
points methods" Phys. Rev. Letters 73, 1959-1962 (1994).
- M. RAMAMOORTHY, R.D. KING-SMTIH and D. VANDERBILT
"First-principles calculations of the energetics of
stoichiometric TiO2 surfaces" Phys. Rev. B 49, 16721 (1994).
- I. J. ROBERTSON, D. I. THOMSON, V. HEINE and M. C. PAYNE "A
database of structural energies of aluminium from ab initio
calculations" J. Phys. Condens. Matter 6, 9963 (1994).
- I.J. ROBERTSON, V. HEINE and M.C. PAYNE, Reply to comment on
"Cohesion in aluminium systems: a first principles assessment of
'glue' schemes" Phys. Rev. Letters 70, 1944 (1994).
- P. VAN DER SCHOOT and M. E. CATES "Transient electric
birefringence in solutions of self-assembled rods" J. Chem.
Phys.101, 5040-5046 (1994).
- T. SCHULTHESS, R.MONNIER and S. CRAMPIN "Effective cluster
interactions and surface segregation in Ni-10 at. %Al", Phys.
Rev. B 50, 18564 (1994).
- R. E. SNYDER and R. C. BALL "Self-organised criticality in
computer models of settling powders" Phys. Rev. E 49, 104-9 (1994).
- P. SOLLICH, V. HEINE and M.T. DOVE "The Ginzburg interval in soft
mode phase transitions: consequences of the rigid unit mode
picture" J. Phys. Condens. Matter 6, 3171-3196 (1994).
- N. SPENLEY and M. E. CATES "Pipe models for entangled fluids under
strong shear" Macromolecules 14, 3850-3858 (1994).
- I. STICH, A. DE VITA, M. C .PAYNE, M. J. GILLAN, and L. J. CLARKE
"Surface dissociation from first principles: Dynamics and
chemistry" Phys. Rev. B 49, 8076-8085 (1994).
- E. M. TERENTJEV, M. WARNER and P. BLADON "Orientation of nematic
elastomers and gels by electric fields" J. de Physique II, 4,
667-676 (1994).
- E. M. TERENTJEV and M. WARNER "Continuum theory of elasticity and
piezoelectric effects in smectic A elastomers" J. de Physique
II, 4, 111-126 (1994).
- E. M. TERENTJEV and M. WARNER "Continuum theory of ferroelectric
C-star elastomers" J. de Physique II, 4, 849-864 (1994).
- S. THAYAPARAM, M. T. DOVE and V. HEINE "A computer simulation
study of Al/Si ordering in gehlenite and the paradox of low
transition temperature" Phys. Chem. Minerals 21, 110-116 (1994).
- I. TSATSKIS, E. K. H. SALJE and V. HEINE "Pattern formation during
phase transitions: kinetics of partially conserved order
parameters and the role of gradient energies" J. Phys. Condens.
Matter 6, 11027-11034 (1994).
- I. TSATSKIS, D. A. VUL, E. K. H. SALJE and V. HEINE "Geometrical
coupling between inhomogeneous strain fields. Application to
fluctuations in ferroelastics" Phase Transitions 52, 95-107 (1994).
- M. S. TURNER, M.. MAALOUM, D. ASSERR, J-F JOANNY and M. KUNZ
'Edge dislocations in copolymer lammellar films" J. de Physique
II 4, 89-702 (1994).
- M. S. TURNER, M. RUBINSTEIN and C. M. MARQUES "Surface-induced
lamellar ordering in a hexagonal phase of diblock copolymers"
Macromolecules 27, 4986-4992 (1994).
- P. VAN DER SCHOOT and M.E. CATES "Growth, static light scattering
and spontaneous ordering of rodlike micelles" Langmuir 10,
670-679 (1994).
- P. VAN DER SCHOOT and M.C. CATES "Transient electric birefringence
in solutions of self-assembled rods" J. Chem. Phys. 101,
5040-5046 (1994).
- P. VAN DER SCHOOT and M.C. CATES "The isotropic to nematic
transition in semi-flexible micellar solutions" Europhys.
Letters 25, 515-520 (1994).
- P. VAN DER SCHOOT "The nematic transition in solutions of
semi-flexible chains" Macromolecules 27, 6473-6475 (1994).
- M.WARNER "Nematic self order of polymers - spontaneous ordering in
polymeric nematic liquids and solids" Phil. Trans. Roy. Soc.
(London) A348, 59-72 (1994).
- M. WARNER, P. BLADON and E.M. TERENTJEV "Soft elasticity -
deformation without resistance in liquid-crystal elastomers" J.
de Physique II, 4, 93-102 (1994).
- R. M. WENTZCOVITCH "The hcp to bcc pressure induced transition in
Mg simulated by ab initio molecular dynamics" Phys. Rev. B. 50,
10358-10361 (1994).
- R.M. WENTZCOVITCH, W. W. SCHULZ and P. B. ALLEN "VO2 Peierls or
Mott-Hubbard? A view from band theory" Phys. Rev. Letters 72,
3389-3392 (1994).
- A.H.L. WEST, J.R. MELROSE, R.C. BALL "Computer-simulations of the
breakup of colloid aggregates" Phys. Rev. E 49, 5 PtA 4237-4249
(1994).
- J.A. WHITE, D. M. BIRD, M. C. PAYNE and I. STICH "Surface
corrugation in the dissociative adsorption of H2 on Cu(100)"
Phys. Rev. Letters 73, 1404 (1994).
- B. WINKLER, V. MILMAN and M. C. PAYNE "Orientation, location and
total energy of hydration of channel H20 in cordierite
investigated by ab initio total energy calculations", American
Mineralogist 79, 200-4 (1994).
- D. T. WU and M. E. CATES "Hydrodynamic response of adsorbed
polymers" Colloids and Surfaces A86, 275-281 (1994).
- X-F YUAN, R.C. BALL "Rheology of hydrodynamically interacting
concentrated hard disks" J. Chem. Phy. 101, 10 9016-9021 (1994).
- X-F YUAN, R. C. BALL and S. F. EDWARDS "Dynamic modelling of
viscoelastic extrusion flows". Papers in honour of K. Walters'
60th birthday, J. Non-Newtonian Fluid Mech. 54, 423-435 (1994).
- W. ZHONG, D. VANDERBILT and K.M. RABE "Phase transitions in BaTiO3
from first principles" Phys. Rev. Letters 73, 1861 (1994).
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