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Number of items: 47.
Article
Broad, A;
Ford, IJ;
Duffy, DM;
Darkins, R;
(2020)
Magnesium-rich nanoprecipitates in calcite: atomistic mechanisms responsible for toughening in Ophiocoma wendtii.
Physical Chemistry Chemical Physics
10.1039/d0cp00887g.
(In press).
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Brookes, J;
Bufacchi, R;
Kondoh, J;
Duffy, DM;
McKendry, RA;
(2016)
Determining biosensing modes in SH-SAW device using 3D finite element analysis.
Sensors and Actuators B: Chemical
, 234
(C)
pp. 412-419.
10.1016/j.snb.2016.03.103.
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Chapman, JBJ;
Cohen, RE;
Kimmel, AV;
Duffy, DM;
(2017)
Improving the Functional Control of Aged Ferroelectrics Using Insights from Atomistic Modeling.
Physical Review Letters
, 119
(17)
10.1103/PhysRevLett.119.177602.
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Chapman, JBJ;
Kimmel, AV;
Duffy, DM;
(2017)
Novel high-temperature ferroelectric domain morphology in PbTiO3 ultrathin films.
Physical Chemistry Chemical Physics
, 19
(6)
pp. 4243-4250.
10.1039/c6cp08157f.
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Cote, AS;
Darkins, R;
Duffy, DM;
(2015)
Deformation twinning and the role of amino acids and magnesium in calcite hardness from molecular simulation.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
, 17
(31)
pp. 20178-20184.
10.1039/c5cp03370e.
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Cote, AS;
Freeman, CL;
Darkins, R;
Duffy, DM;
(2013)
Structure and Orientation of MDBA Self-Assembled Monolayers and Their Interaction with Calcite: A Molecular Dynamics Study.
Journal of Physical Chemistry C
, 117
(14)
7148 - 7153.
10.1021/jp4006235.
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Daraszewicz, SL;
Duffy, DM;
(2013)
Hybrid continuum–atomistic modelling of swift heavy ion radiation damage in germanium.
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
, 303
, Article C. 10.1016/j.nimb.2012.11.027.
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Daraszewicz, SL;
Giret, Y;
Naruse, N;
Murooka, Y;
Yang, J;
Duffy, DM;
Shluger, AL;
(2013)
Structural dynamics of laser-irradiated gold nanofilms.
Physical Review B
, 88
(18)
, Article 184101. 10.1103/PhysRevB.88.184101.
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Daraszewicz, SL;
Giret, Y;
Tanimura, H;
Duffy, DM;
Shluger, AL;
Tanimura, K;
(2014)
Determination of the electron-phonon coupling constant in tungsten.
Applied Physics Letters
, 105
(2)
, Article 023112. 10.1063/1.4890413.
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Darkins, Robert;
McPherson, Ian J;
Ford, Ian J;
Duffy, Dorothy M;
Unwin, Patrick R;
(2022)
Critical Step Length as an Indicator of Surface Supersaturation during Crystal Growth from Solution.
Crystal Growth and Design
, 22
(2)
pp. 982-986.
10.1021/acs.cgd.1c01249.
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Darkins, R;
Côté, AS;
Duffy, DM;
Freeman, CL;
(2013)
Crystallisation rates of calcite from an amorphous precursor in confinement.
Journal of Crystal Growth
, 367
110 - 114.
10.1016/j.jcrysgro.2012.12.027.
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Darkins, R;
Duffy, DM;
(2018)
Modelling radiation effects in solids with two-temperature molecular dynamics.
Computational Materials Science
, 147
pp. 145-153.
10.1016/j.commatsci.2018.02.006.
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Darkins, R;
Ma, P-W;
Murphy, ST;
Duffy, DM;
(2018)
Simulating electronically driven structural changes in silicon with two-temperature molecular dynamics.
Physical Review B
, 98
(2)
, Article 024304. 10.1103/PhysRevB.98.024304.
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Darkins, R;
Sushko, ML;
Liu, J;
Duffy, DM;
(2015)
The effect of surface topography on the micellisation of hexadecyltrimethylammonium chloride at the silicon-aqueous interface.
Journal of Physics: Condensed Matter
, 27
(5)
, Article 054008. 10.1088/0953-8984/27/5/054008.
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Duffy, DM;
(2018)
Low temperature ferroelectric behavior in morphotropic Pb (Zr1−xTix)O3.
Journal of the American Ceramic Society
, 101
(2)
pp. 874-882.
10.1111/jace.15101.
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Duffy, DM;
(2017)
Coherent nanoparticles in calcite A toughening strategy known to metallurgists is also used by the brittlestar.
Science
, 358
(6368)
pp. 1254-1255.
10.1126/science.aaq0111.
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Duffy, DM;
Daraszewicz, SL;
Mulroue, J;
(2012)
Modelling the effects of electronic excitations in ionic-covalent materials.
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
, 277
21 - 27.
10.1016/j.nimb.2011.12.059.
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Duffy, DM;
Harding, JH;
Stoneham, AM;
(1996)
A calculation of the structure and energy of the Nb/Al2O3 interface.
Acta Materialia
, 44
(8)
3293 - 3298.
10.1016/1359-6454(95)00424-6.
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Duffy, DM;
Harding, JH;
Stoneham, AM;
(1995)
A simulation of the NiO/Ag interface with point defects.
Acta Metallurgica et Materialia
, 43
(4)
1559 - 1568.
10.1016/0956-7151(94)00349-M.
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Duffy, DM;
Harding, JH;
Stoneham, AM;
(1992)
Atomistic modelling of the metal/oxide interface with image interactions.
Acta Metallurgica Et Materialia
, 40
(Suppl.)
S11 - S16.
10.1016/0956-7151(92)90258-G.
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Duffy, DM;
Itoh, N;
Rutherford, AM;
Stoneham, AM;
(2008)
Making tracks in metals.
J PHYS-CONDENS MAT
, 20
(8)
, Article 082201. 10.1088/0953-8984/20/8/082201.
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DUFFY, DM;
STONEHAM, AM;
(1983)
CONDUCTIVITY AND NEGATIVE-U FOR IONIC GRAIN-BOUNDARIES.
J PHYS C SOLID STATE
, 16
(21)
4087 - 4092.
10.1088/0022-3719/16/21/009.
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Giret, Y;
Daraszewicz, SL;
Duffy, DM;
Shluger, AL;
Tanimura, K;
(2014)
Nonthermal solid-to-solid phase transitions in tungsten.
Physical Review B
, 90
(9)
, Article 094103. 10.1103/PhysRevB.90.094103.
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Giret, Y;
Naruse, N;
Daraszewicz, SL;
Murooka, Y;
Yang, J;
Duffy, DM;
Shluger, AL;
(2013)
Determination of transient atomic structure of laser-excited materials from time-resolved diffraction data.
Applied Physics Letters
, 103
(25)
, Article 253107. 10.1063/1.4847695.
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Gray, ER;
Brookes, JC;
Caillat, C;
Turbé, V;
Webb, BL;
Granger, LA;
Miller, BS;
... McKendry, RA; + view all
(2017)
Unravelling the molecular basis of high affinity nanobodies against HIV p24: in vitro functional, structural and in silico insights.
ACS Infectious Diseases
, 3
(7)
pp. 479-491.
10.1021/acsinfecdis.6b00189.
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Green, DC;
Darkins, R;
Marzec, B;
Holden, MA;
Ford, IJ;
Botchway, SW;
Kahr, B;
... Meldrum, FC; + view all
(2021)
Dichroic Calcite Reveals the Pathway from Additive Binding to Occlusion.
Crystal Growth & Design
, 21
(7)
pp. 3746-3755.
10.1021/acs.cgd.1c00068.
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Harding, JH;
Freeman, CL;
Duffy, DM;
(2014)
Oriented crystal growth on organic monolayers.
CrystEngComm
, 16
(8)
1430 - 1438.
10.1039/c3ce41677a.
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Ihli, J;
Clark, JN;
Côté, AS;
Kim, YY;
Schenk, AS;
Kulak, AN;
Comyn, TP;
... Meldrum, FC; + view all
(2016)
Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers.
Nature Communications
, 7
, Article 11878. 10.1038/ncomms11878.
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Itoh, N;
Duffy, DM;
Khakshouri, S;
Stoneham, AM;
(2009)
Making tracks: electronic excitation roles in forming swift heavy ion tracks.
J PHYS-CONDENS MAT
, 21
(47)
, Article 474205. 10.1088/0953-8984/21/47/474205.
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Khakshouri, S;
Alfe, D;
Duffy, DM;
(2008)
Development of an electron-temperature-dependent interatomic potential for molecular dynamics simulation of tungsten under electronic excitation.
Physical Review B
, 78
(22)
, Article 224304. 10.1103/PhysRevB.78.224304.
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Khakshouri, S;
Duffy, DM;
(2009)
Influence of electronic effects on the surface erosion of tungsten.
Physical Review B
, 80
(3)
, Article 035415. 10.1103/PhysRevB.80.035415.
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Khara, GS;
Murphy, ST;
Daraszewicz, SL;
Duffy, DM;
(2016)
The influence of the electronic specific heat on swift heavy ion irradiation simulations of silicon.
Journal of Physics: Condensed Matter
, 28
(39)
, Article 395201. 10.1088/0953-8984/28/39/395201.
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Khara, GS;
Murphy, ST;
Duffy, DM;
(2017)
Dislocation loop formation by swift heavy ion irradiation of metals.
Journal of Physics: Condensed Matter
, 29
(28)
, Article 285303. 10.1088/1361-648X/aa74f8.
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Kim, Y-Y;
Darkins, R;
Broad, A;
Kulak, AN;
Holden, MA;
Nahi, O;
Armes, SP;
... Meldrum, FC; + view all
(2019)
Hydroxyl-rich macromolecules enable the bio-inspired synthesis of single crystal nanocomposites.
Nature communications
, 10
, Article 5682. 10.1038/s41467-019-13422-9.
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Kimmel, AV;
Gindele, OT;
Duffy, DM;
Cohen, RE;
(2019)
Giant electrocaloric effect at the antiferroelectric-to-ferroelectric phase boundary in Pb(ZrxTi1–x)O3.
Applied Physics Letters
, 115
(2)
, Article 023902. 10.1063/1.5096592.
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Konstantinou, K;
Duffy, DM;
Shluger, AL;
(2016)
Structure and luminescence of intrinsic localized states in sodium silicate glasses.
PHYSICAL REVIEW B
, 94
(17)
10.1103/PhysRevB.94.174202.
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Konstantinou, K;
Sushko, PV;
Duffy, DM;
(2016)
Modelling the local atomic structure of molybdenum in nuclear waste glasses with ab initio molecular dynamics simulations.
Physical Chemistry Chemical Physics
, 18
(37)
pp. 26125-26132.
10.1039/c6cp03076a.
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Marzec, B;
Green, DC;
Holden, MA;
Coté, AS;
Ihli, J;
Khalid, S;
Kulak, A;
... Meldrum, FC; + view all
(2018)
Amino Acid Assisted Incorporation of Dye Molecules within Calcite Crystals.
Angewandte Chemie - International Edition
, 57
(28)
pp. 8623-8628.
10.1002/anie.201804365.
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Murphy, ST;
Daraszewicz, SL;
Giret, Y;
Watkins, M;
Shluger, AL;
Tanimura, K;
Duffy, DM;
(2015)
Dynamical simulations of an electronically induced solid-solid phase transformation in tungsten.
Physical Review B
, 92
(13)
, Article 134110. 10.1103/PhysRevB.92.134110.
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Murphy, ST;
Giret, Y;
Daraszewicz, SL;
Lim, AC;
Shluger, AL;
Tanimura, K;
Duffy, DM;
(2016)
Contribution of electronic excitation to the structural evolution of ultrafast laser-irradiated tungsten nanofilms.
Physical Review B
, 93
(10)
, Article 104105. 10.1103/PhysRevB.93.104105.
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Quigley, D;
Rodger, PM;
Freeman, CL;
Harding, JH;
Duffy, DM;
(2009)
Metadynamics simulations of calcite crystallization on self-assembled monolayers.
Journal of Chemical Physics
, 131
(9)
, Article 094703. 10.1063/1.3212092.
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Seaton, MA;
Todorov, IT;
Daraszewicz, SL;
Khara, GS;
Duffy, DM;
(2018)
Domain decomposition of the two-temperature model in ᴅʟ_ᴘᴏʟʏ_4.
Molecular Simulation
10.1080/08927022.2018.1511902.
(In press).
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Zarkadoula, E;
Daraszewicz, SL;
Duffy, DM;
Seaton, MA;
Todorov, IT;
Nordlund, K;
Dove, MT;
(2014)
Electronic effects in high-energy radiation damage in iron.
Journal of Physics: Condensed Matter
, 26
(8)
, Article 085401. 10.1088/0953-8984/26/8/085401.
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Zarkadoula, E;
Daraszewicz, SL;
Duffy, DM;
Seaton, MA;
Todorov, IT;
Nordlund, K;
Dove, MT;
(2013)
The nature of high-energy radiation damage in iron.
Journal of Physics: Condensed Matter
, 25
(12)
, Article 125402. 10.1088/0953-8984/25/12/125402.
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Zarkadoula, E;
Duffy, DM;
Nordlund, K;
Seaton, MA;
Todorov, IT;
Weber, WJ;
Trachenko, K;
(2015)
Electronic effects in high-energy radiation damage in tungsten.
Journal of Physics: Condensed Matter
, 27
(13)
, Article 135401. 10.1088/0953-8984/27/13/135401.
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Zaum, Ch;
Osterloh, N;
Darkins, R;
Duffy, DM;
Morgenstern, K;
(2021)
Real-space observation of surface structuring induced by ultra-fast-laser illumination far below the melting threshold.
Scientific Reports
, 11
(1)
, Article 13269. 10.1038/s41598-021-91894-w.
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Proceedings paper
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Dunn, AR;
Duffy, DM;
Stoneham, AM;
(2011)
A molecular dynamics study of diamond exposed to tritium bombardment for fusion applications.
In:
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms.
(pp. 1724 - 1726).
Elsevier Science BV
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