News
(as of July 2016):
- Plasticity in BCC metals:
an article published in Nature Communications explains the link between
dislocation trajectory and twinning/antitwinning assymmetry. [pdf]
- Benoit
Devincre (CNRS/ONERA), François Willaime
(CEA), Olivier Politano (U. Bourgogne), Eric Cancès (CERMICS), Elisabeth Bouchaud (ESPCI) and myself organize the next Multiscale Materials Modelling (MMM
2016) in Dijon in October
2016.
- Plasticity in HCP metals:
an article published in Nature Materials explains by a combination of
in-situ TEM and ab initio calculations the differences of plasticity in
HCP Zr and Ti. [pdf]
- Mechanics of Entangled Materials: two articles in Acta Mat and Nature Materials describe the surprizing mechanical properties of entangled single-wire materials. [pdf] [pdf]
Research
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
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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.
Collaborations:
- 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- ]
Post-docs
- 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
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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).
Collaborations:
- J.L. Barrat [LiPhy, Univ. Grenoble]
- A. Tanguy [ILM, Univ. Lyon]
- T. Albaret [ILM, Univ. Lyon]
Students:
- P. Koziatek [PhD 2011-2014]
- T. Darmart [PhD 2014- ]
Post-docs:
- F. Boioli [Post-doc 2015-]
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Mechanics
of fibrous materials
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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.
Collaborations:
- L. Orgéas, S. Rolland du Roscoat [3SR, Univ. Grenoble]
- B. Audoly [Institut d'Alembert, Paris Jussieu]
Students:
- Carine Barbier [PhD 2005-2008]
- B. Gadot [PhD 2011- 2015]
- O. Mahmood [PhD 2013- ]
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Papers
2016
Plastic anisotropy and dislocation trajectory in BCC metals
Dezerald L., Rodney D., Clouet E., Ventelon L., Willaime F. Nature Communications | DOI: 10.1038/ncomms11695.[pdf]
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).[pdf]
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).[pdf]
2015
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 [pdf]
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]
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
Gadot 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. [pdf]
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. [pdf]
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]
2014
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. [pdf]
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. [pdf]
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.
[pdf].
First-principles study of secondary slip in Zirconium
Chaari N., Clouet E., Rodney D. Physical Review Letters 112 (2014)
075504.1-5. [pdf]
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.
2013
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.
[pdf].
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.
2012
Quantum effect on the thermally-activated
glide of dislocations
Proville P., Rodney D., Marinica
M.C. Nature Materials
11 (2012) 845-849 [pdf].
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]
2011
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]
Back
to top
2010
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]
Back
to top
2009
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.[pdf]
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]
Back to top
2008
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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2007
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.
Back to top
2006
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.[pdf]
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.[pdf]
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2005
Discrete
modeling of the
mechanics of entangled materials
Rodney D., Fivel M.,
Dendievel R. Physical Review
Letters
95
(2005) 108004.[pdf]
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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2004
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.[pdf]
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2003
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.[pdf]
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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.[pdf]
Dislocation
pinning by small interstitial loops: a molecular dynamics study
Rodney D., Martin G. Physical
Review Letters 82
(1999) 3272-3275.[pdf]
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.[pdf]
Structure
and strength
of dislocation junctions: an atomic-level analysis
Rodney D. et Phillips R. Physical
Review Letters 82
(1999) 1704-1707.[pdf]
since June 2015
