Professor at the University of Lyon

Editor at Acta Materialia Inc., Elsevier
Editor at Scientific Reports, Nature Publishing Group

Junior Member of the Institut Universitaire de France, 2009-2014

Institut Lumière Matière
Lyon Tech-La Doua
Bâtiment Brillouin, 6 rue Ada Byron
69622 Villeurbanne, France 
Phone: +33 4 72 43 14 73   

E-mail : david.rodney(at)univ-lyon1(dot)fr

Physics of Deformation

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News (as of July 2016):

Research Papers


We use discrete simulation methods to unvail the elementary mechanisms of deformation in solids, in both crystalline and amorphous phases, and exploit multi-scale methodologies to explore the relation between microscopic plastic processes and macroscopic mechanical behavior.

We are involved in the development and application of novel simulation methods for:


Crystalline plasticity

We use a combination of MD simulations, ab initio calculations, line tension models and saddle-point search methods to study crystalline plasticity. We are mainly interested in BCC transition metals (Fe, W, Ta, ...) and HCP metals (Zr , Mg). We study both dislocations and twinning plasticity.

  • L. Proville, E. Clouet, L. Ventelon, F. Willaime [SRMP, CEA Saclay]
  • L. Capolungo [Georgia Tech Lorraine]
  • B. Devincre [CNRS-ONERA]
PhD students:
  • T. Nogaret [PhD 2004-2007], J. Chaussidon [PhD 2004-2007], S. Patinet [PhD 2004-2007], M. Chassagne [PhD 2006-2009], B. Barvinschi [Visiting PhD Timisoara 2013], L. Dezerald [PhD 2011-2014], N. Chaari [PhD 2012-2015], B. Lüthi [PhD 2014- ], O. MacKain [PhD 2014- ]
  • H. Wang [Post-doc 2010-2011]
  • B. Xu [Post-doc 2011-2012]
  • P.A. Geslin [Post-doc 2015-]

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Energy landscape of glasses

Kink-pair mechanism
We employ saddle-point search methods, mainly the Activation Relaxation Technique (ART), to study thermally-activated processes in model glasses, and how they are affected by the glass history (quench rate, pre-deformation).

  • J.L. Barrat [LiPhy, Univ. Grenoble]
  • A. Tanguy [ILM, Univ. Lyon]
  • T. Albaret [ILM, Univ. Lyon]
  • P. Koziatek [PhD 2011-2014]
  • T. Darmart [PhD 2014- ]
  • F. Boioli [Post-doc 2015-]

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Mechanics of fibrous materials


Fibrous materials like animal, glass or steel wools, are made of fibers that interact by contact and friction. In collaboration with the University Joseph Fourier of Grenoble, we study the structure and mechanics of this particular type of architectured materials using mechanical testing, tomography and discrete element simulations based on Kirrchoff's elastica.


  • L. Orgéas, S. Rolland du Roscoat [3SR, Univ. Grenoble]
  • B. Audoly [Institut d'Alembert, Paris Jussieu]
  • Carine Barbier [PhD 2005-2008]
  • B. Gadot [PhD 2011- 2015]
  • O. Mahmood [PhD 2013- ]

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Plastic anisotropy and dislocation trajectory in BCC metals
Dezerald L., Rodney D., Clouet E., Ventelon L., Willaime F. Nature Communications | DOI: 10.1038/ncomms11695

Mapping between atomistic simulations and Eshelby inclusions in the shear deformation of an amorphous silicon model
Albaret T., Tanguy A., Boioli F. and Rodney D. Physical Review E 93, 053002 (2016)

Numerical study of the structural and vibrational properties of amorphous Ta2O5 and TiO2-doped Ta2O5
T. Damart, E. Coillet, A. Tanguy and D. Rodney Journal of Applied Physics 119, 175106 (2016)


Reversible dilatancy in entangled single- wire materials
Rodney D., Gadot B., Riu Martinez O., Rolland du Roscoat S., Orgéas L. Nature Materials, 15 (2016) 72-77
. [pdf]

Supplementary Materials

News and Views by Ray H. Baughman and Alexandre F. Fonseca. [pdf]

Article on Chemistry World: http://www.rsc.org/chemistryworld/2015/09/auxetic-entangled-wire-unusual-properties-dilatancy

Orientational anisotropy in simulated vapor-deposited molecular glasses

Lyubimov I., Antony L., Walters D.M., Rodney D., Ediger M.D., de Pablo J.J. The Journal of Chemical Physics
143 (2015) 094502.[pdf]

Glass Anisotropy

Dislocation locking versus easy glide in titanium and zirconium
Clouet E., Caillard D., Chaari N., Onimus F., Rodney D.
Nature Materials 14 (2015) 931-936.[pdf]


News and Views by A. Minor [pdf]

Entangled single-wire NiTi material: a porous metal with tunable superelastic and shape memory properties
B., Riu Martinez O., Rolland du Roscoat S.,  Bouvard D., Rodney  D., Orgéas L. Acta Materialia 96 (2015) 311-323. [pdf]


Dislocation core reconstruction induced by carbon segregation in bcc iron
Ventelon L., Lüthi B., Clouet E., Proville L., Legrand B., Rodney D., Willaime F. Physical Review B (Rapid Communication) 91 (2015) 220102(R
). [Editor’s suggestion] [pdf]


Signature of dislocations and stacking faults of face-centred cubic nanocrystals in coherent X-ray diffraction patterns: a numerical study

Dupraz M., Beutier G., Rodney D., Mordehai D., Verdier M. Journal of Applied Crystallography 48 (2015) 621-644.


Short- and medium-range orders in as-quenched and deformed SiO2 glasses: An atomistic study
Koziatek P., Barrat J. L., Rodney D. Journal of Non-Crystalline Solids 414 (2015) 7-15.

First-principles prediction of kink-pair activation enthalpy on screw dislocations in bcc transition metals: V, Nb, Ta, Mo, W, and Fe
Dezerald L., Proville L., Ventelon L., Willaime F., Rodney D. Physical Review B 91 (2015) 094105. [pdf]

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First order pyramidal slip of 1/3< 1 -2 1 0> screw dislocations in Zirconium
Chaari N., Clouet E., Rodney D. Metallurgical and Materials Transactions A 45 (2014) 5898-5905.

Stability of self-interstitial clusters with C15 Laves phase structure in Iron
Dézerald L., Marinica M.C., Ventelon L., Rodney D., Willaime F. Journal of Nuclear Materials 449 (2014) 219-224.

Quantum Peierls stress of straight and kinked dislocations and effect of non-glide stresses
Barvinschi B., Proville L., Rodney D. Modelling and Simulations in Material Science and Engineering 22 (2014) 025006.1-14.

First-principles study of secondary slip in Zirconium
Chaari N., Clouet E., Rodney D. Physical Review Letters 112 (2014) 075504.1-5.

Computation of the thermal conductivity using methods based on classical and quantum molecular dynamics
Bedoya-Martinez O.N., Barrat J.L., Rodney D. Physical Review B 89 (2014) 014303.1-7. [pdf]

Ab initio modeling of the two-dimensional energy landscape of screw dislocations in bcc transition metals
Dezerald L., Ventelon L., Clouet E., Denoual C., Rodney D., Willaime F. Physical Review B 89 (2014) 024104.1-13. [pdf]
+ Correction [pdf]

Atomic-scale comparison between {1-101} and {1-102} twin growth mechanisms in Magnesium
Leclerq L., Capolungo L., Rodney D. Materials Research Letters 2 (2014) 152-159.

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Inverse Meyer-Neldel behavior for activated processes in model glasses
Koziatek P., Barrat J.L., Derlet P., Rodney D. Physical Review B 87 (2013) 224105
.1-4. [pdf]

Ab initio investigation of the Peierls potential of screw dislocations in bcc Fe and W
Ventelon L., Willaime F., Clouet E., Rodney D. Acta Materialia 61 (2013) 3973-3985. [pdf]

On the importance of prismatic/basal interface in the growth of (1012) twins in hexagonal close packed crystals
Xu B., Capolungo L., Rodney D.  Scripta Materialia 68 (2013) 901-904.

Prediction of the kink-pair formation enthalpy on screw dislocations in α-iron by a line tension model parametrized on empirical potentials and first-principles calculations
Proville L., Ventelon L., Rodney D. Physical Review B 87 (2013) 144106.1-8. [Editor’s suggestion] [pdf]

Atomistic investigation of the annihilation of non-screw dislocation dipoles in Al, Cu, Ni and gamma-TiAl
Wang H., Xu D.S., Rodney D., Veyssière P., Yang R. Modelling and Simulations in Materials Science and Engineering 21 (2013) 025002.1-16.

Defect kinetics on experimental timescales using atomistic simulations
Wang H., Rodney D., Xu D.S., Yang R., Veyssière P. Philosophical Magazine 93 (2013) 186-202.

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Quantum effect on the thermally-activated glide of dislocations
Proville P., Rodney D., Marinica M.C. Nature Materials 11 (2012) 845-849

Mechanical properties of monofilament entangled materials
Courtois L., Maire E., Perez M., Rodney D., Bouaziz O., Bréchet Y. Adv. Eng. Mater. 14 (2012) 1128-1133.[pdf]

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Pentavacancy as the key for vacancy clustering in aluminum
Hao W., Rodney D., Xu D.S., Yang R., Veyssière P. Phys. Rev. B (Rapid Communication) 84 (2011) 220103(R).1-5.[pdf]

Modeling of the mechanics of amorphous solids at different lengths and time scales
Rodney D., Tanguy A., Vandembroucq D. Mod. Simul. Mat. Sci. Eng. 19 (2011) 083001.1-49.[pdf]

On the potential energy landscape of supercooled liquids and glasses
Rodney D., Schroeder T. Eur. Phys. J. E 34 (2011) 100.1-7.[pdf]

Portable implementation of a quantum thermal bath for molecular dynamics simulations
Barrat J.L., Rodney D. J. Stat. Phys. 144 (2011) 679-689.[pdf]

Atomic-scale simulation of screw dislocation/coherent twin boundary in Al, Au, Cu and Ni
Chassagne M., Legros M., Rodney D. Acta Mat. 59 (2011) 1456-1463.[pdf]

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Predicting dislocation climb and creep from explicit atomistic details
Kabir M., Lau T.T., Rodney D., Yip S., Can Vliet K.J. Phys. Rev. Lett. 105 (2010) 095501.1-4.[pdf]

A kinetic Monte Carlo study of activated states and correlated STZ activity during deformation of amorphous metal
Homer E.R., Rodney D., Schuh CA. Phys. Rev. B81 (2010) 06204.1-11.[pdf]

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Yield stress in metallic glasses: the jamming-unjamming transition studied through Monte Carlo simulations based on the Activation-relaxation Technique
Rodney D., Schuh CA. Phys. Rev. B80 (2009) 184203.[pdf]

Role of friction in the mechanics of nonbonded fibrous materials
Barbier C., Dendievel R., Rodney D. Phys. Rev. E80 (2009) 016115.

Distribution of thermally-activated plastic events in a flowing glass
Rodney D., Schuh C. Phys. Rev. Lett. 102 (2009) 235503.[pdf]

Dislocation-obstacle interactions at the atomic level
Bacon D., Osetsky Y., Rodney D., Dislocations in Solids, vol. 15 edited by John Hirth et Ladislas Kubin, Elsevier (2009).[pdf]

Numerical study of 3D-compressions of entangled materials
Barbier C., Dendievel R., Rodney D. Computational Materials Science 45 (2008) 593-596.[pdf]

Stress-dependent Peierls potential: Influence on kink-pair activation
Rodney D., Proville L. Physical Review B79 (2009) 094108.[pdf]

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Dislocation dynamics simulations of plasticity in Fe laths at low temperature
Chaussidon J., Robertson C., Rodney D., Fivel M. Acta Materialia 56 (2008) 5451-5465.[pdf]

Kink-pair nucleation on dislocations under stress in the two-dimensional Frenkel-Kontorova
Rodney D., Proville L. Physical Review B78 (2008) 104115.1-9.[pdf]

Clear band formation simulated by dislocation dynamics: role of helical turns and pile-ups
Nogaret T., Rodney D., Fivel M., Robertson C. Journal of Nuclear Materials 380 (2008) 22-29.[pdf]

On the nonlocal nature of dislocation nucleation during nano-indentation
Miller R.E., Rodney D. Journal of the Mechanics and Physics of Solids 56 (2008) 1203-1223.[pdf]

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Activation enthalpy for kink-pair nucleation on dislocations: Comparison between static and dynamic atomic-scale simulations
Rodney D. Physical Review B76 (2007) 144108.1-9.[pdf]

Atomic-scale plasticity in presence of Frank loops
Nogaret T., Robertson C., Rodney D. Philosophical Magazine 87 (2007) 945-966.

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Finite size effects in dislocation glide through random arrays of obstacles: Line tension simulations
Nogaret T., Rodney D. Physical Review B74 (2006) 134110.1-6.

The glide of screw dislocations in BCC Fe: Molecular statics and dynamics simulations
Chaussidon J., Fivel M., Rodney D. Acta Materialia 54 (2006) 3407-3416.[pdf]

Atomic-scale study of dislocation glide in a model solid solution
Proville L., Rodney D., Bréchet Y., Martin G. Philosophical Magazine 86 (2006) 3893-3920.

Atomic-scale simulations of dislocation-stacking fault tetrahedron interaction
Osetsky Yu.N., Rodney D., Bacon D. Philosophical Magazine 86 (2006) 2295-2313.[pdf]

Influence of relative density on the architecture and mechanical behavior of a steel metallic wool
Masse J.P., Salvo L., Rodney D., Bréchet Y., Bouaziz O. Scripta Materialia 54 (2006) 1379-1383.

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Discrete modeling of the mechanics of entangled materials
Rodney D., Fivel M., Dendievel R. Physical Review Letters 95 (2005) 108004.

Atomic-scale modeling of plasticity at a metal film/amorphous substrate interface
Rodney D., Deby J.B., Verdier M. Modeling and Simulations in Materials Science and Engineering 13 (2005) 427-436.

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Dislocation glide in model Ni(Al) solid solution by molecular dynamics
Rodary E., Rodney D., Proville L., Bréchet Y., Martin G. Physical Review B70 (2004) 054111.1-11.

Molecular dynamics simulation of screw dislocations interacting with interstitial frank loops in a model FCC crystal
Rodney D.Acta Materialia 52 (2004) 607-614.

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The role of collinear interaction in dislocation-induced hardening
Madec R., Devincre B., Kubin L., Rodney D. Science 301 (2003) 1879-1882.[pdf]

Phase field methods and dislocations
Rodney D., Le Bouar Y., Finel A. Acta Materialia 51 (2003) 17–30.

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2000 and before

Dislocation pinning by glissile interstitial loops in a nickel crystal: a molecular dynamics study
Rodney D., Martin G. Physical Review B61 (2000) 8714-8730.

Dislocation pinning by small interstitial loops: a molecular dynamics study
Rodney D., Martin G. Physical Review Letters 82 (1999) 3272-3275.

Hierarchical models of plasticity: dislocation nucleation and interaction
Phillips R., Rodney D., Shenoy V., Tadmor E. et Ortiz M. Modeling and Simulation in Materials Science and Engineering 7 (1999), 769-780.

An adaptive finite element approach to atomic-scale mechanics: the quasicontinuum method
Shenoy V., Miller R., Tadmor E., Rodney D., Phillips R. et Ortiz M. Journal of the Mechanics and Physics of Solids 47 (1999) 611-642.

Structure and strength of dislocation junctions: an atomic-level analysis
Rodney D. et Phillips R. Physical Review Letters 82 (1999) 1704-1707.

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