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1

Modeling and simulation of nuclear fuel materials

Devanathan, Ram, Van Brutzel, Laurent, Chartier, Alain, Guéneau, Christine, Mattsson, Ann E., Tikare, Veena, Bartel, Timothy, Besmann, Theodore, Stan, Marius, Van Uffelen, Paul

Journal:

Energy & Environmental Science

Year:

2010

Language:

english

File:

PDF, 1.04 MB

english, 2010

2

Atomistic simulation of point defects behavior in ceria

Aurore Guglielmetti, Alain Chartier, Laurent van Brutzel, Jean-Paul Crocombette, Kazuhiro Yasuda, Constantin Meis, Syo Matsumura

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2008

Language:

english

File:

PDF, 435 KB

english, 2008

3

Molecular dynamics simulation of dislocations in uranium dioxide

Fossati, Paul, Van Brutzel, Laurent, Devincre, Benoît

Journal:

Journal of Nuclear Materials

Year:

2013

Language:

english

File:

PDF, 1.17 MB

english, 2013

4

Free energy of Xe incorporation at point defects and in nanovoids and bubbles in

Murphy, S. T., Chartier, A., Van Brutzel, L., Crocombette, J.-P.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 683 KB

english, 2012

5

Linking atomic and mesoscopic scales for the modelling of the transport properties of uranium dioxide under irradiation

Bertolus, Marjorie, Freyss, Michel, Dorado, Boris, Martin, Guillaume, Hoang, Kiet, Maillard, Serge, Skorek, Richard, Garcia, Philippe, Valot, Carole, Chartier, Alain, Van Brutzel, Laurent, Fossati, Pa

Journal:

Journal of Nuclear Materials

Year:

2015

Language:

english

File:

PDF, 5.97 MB

english, 2015

6

Assessment of empirical potential for MOX nuclear fuels and thermomechanical properties

Balboa, Hector, Van Brutzel, Laurent, Chartier, Alain, Le Bouar, Yann

Journal:

Journal of Nuclear Materials

Year:

2017

Language:

english

File:

PDF, 3.64 MB

english, 2017

7

Modeling of point defects and rare gas incorporation in uranium mono-carbide

A. Chartier, L. Van Brutzel

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2007

Language:

english

File:

PDF, 133 KB

english, 2007

8

Large molecular dynamics simulations of collision cascades in single-crystal, bi-crystal, and poly-crystal UO2

L. Van Brutzel, E. Vincent-Aublant, J.-M. Delaye

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2009

Language:

english

File:

PDF, 491 KB

english, 2009

9

Displacement cascade initiated with the realistic energy of the recoil nucleus in UO2 matrix by molecular dynamics simulation

L. Van Brutzel, M. Rarivomanantsoa, D. Ghaleb

Journal:

Journal of Nuclear Materials

Year:

2006

Language:

english

File:

PDF, 829 KB

english, 2006

10

Molecular dynamics simulation study of primary damage in UO2 produced by cascade overlaps

L. Van Brutzel, M. Rarivomanantsoa

Journal:

Journal of Nuclear Materials

Year:

2006

Language:

english

File:

PDF, 262 KB

english, 2006

11

Self-diffusion near symmetrical tilt grain boundaries in UO2 matrix: A molecular dynamics simulation study

E. Vincent-Aublant, J-M. Delaye, L. Van Brutzel

Journal:

Journal of Nuclear Materials

Year:

2009

Language:

english

File:

PDF, 1.37 MB

english, 2009

12

Classical molecular dynamics study of primary damage created by collision cascade in a ZrC matrix

L. Van Brutzel, J.P. Crocombette

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2007

Language:

english

File:

PDF, 1.01 MB

english, 2007

13

Effect of the cascade energy on defect production in uranium dioxide

G. Martin, P. Garcia, L. Van Brutzel, B. Dorado, S. Maillard

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2011

Language:

english

File:

PDF, 798 KB

english, 2011

14

Irradiation-induced heterogeneous nucleation in uranium dioxide

G. Martin, P. Garcia, C. Sabathier, L. Van Brutzel, B. Dorado, F. Garrido, S. Maillard

Journal:

Physics Letters A

Year:

2010

Language:

english

File:

PDF, 679 KB

english, 2010

15

Grain boundary influence on displacement cascades in UO2: A molecular dynamics study

L. Van Brutzel, E. Vincent-Aublant

Journal:

Journal of Nuclear Materials

Year:

2008

Language:

english

File:

PDF, 1.13 MB

english, 2008

16

A molecular dynamics study of radiation induced diffusion in uranium dioxide

G. Martin, S. Maillard, L. Van Brutzel, P. Garcia, B. Dorado, C. Valot

Journal:

Journal of Nuclear Materials

Year:

2009

Language:

english

File:

PDF, 719 KB

english, 2009

17

Molecular dynamics study of Frenkel pair recombinations in fluorite type compounds

N. Pannier, A. Guglielmetti, L. Van Brutzel, A. Chartier

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2009

Language:

english

File:

PDF, 437 KB

english, 2009

18

A new empirical potential for simulating the formation of defects and their mobility in uranium dioxide

Morelon, N.-D., Ghaleb, D., Delaye, J.-M., Van Brutzel, L.

Journal:

Philosophical Magazine

Year:

2003

Language:

english

File:

PDF, 458 KB

english, 2003

19

Atomistic study of stability of xenon nanoclusters in uranium oxide

Chartier, A., Van Brutzel, L., Freyss, M.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 584 KB

english, 2010

20

Atomistic simulations of the radiation resistance of oxides

A. Chartier, L. Van Brutzel, J.-P. Crocombette

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2012

Language:

english

File:

PDF, 434 KB

english, 2012

21

A TOMISTIC A SPECTS OF C RACK P ROPAGATION IN B RITTLE M ATERIALS : Multimillion Atom Molecular Dynamics Simulations

Rountree, Cindy L., Kalia, Rajiv K., Lidorikis, Elefterios, Nakano, Aiichiro, Van Brutzel, Laurent, Vashishta, Priya

Journal:

Annual Review of Materials Research

Year:

2002

Language:

english

File:

PDF, 1.34 MB

english, 2002

22

Atomistic Simulation of the Structural, Thermodynamic, and Elastic Properties of Li 2 TiO 3

Murphy, Samuel T., Zeller, Philippe, Chartier, Alain, Van Brutzel, Laurent

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 2.55 MB

english, 2011

23

Disordering and grain boundaries of (Ni,Fe)Cr2O4 spinels from atomistic calculations

Chartier, Alain, Golovchuk, Bogdan, Gossé, Stéphane, Van Brutzel, Laurent

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 979 KB

english, 2013

24

Radiation resistance of (Ni,Fe)Cr2O4 spinels by molecular dynamics simulations

Van Brutzel, Laurent, Alvarez, Pierre, Chartier, Alain

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2014

Language:

english

File:

PDF, 969 KB

english, 2014

25

Simulation of uranium dioxide polymorphs and their phase transitions

Fossati, Paul C. M., Van Brutzel, Laurent, Chartier, Alain, Crocombette, Jean-Paul

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 4.30 MB

english, 2013

26

Molecular dynamics studies of displacement cascades in the uranium dioxide matrix

Van Brutzel, L., Delaye, J.-M., Ghaleb, D., Rarivomanantsoa, M.

Journal:

Philosophical Magazine

Year:

2003

Language:

english

File:

PDF, 1.16 MB

english, 2003

27

fluorite structure calculated by molecular dynamics simulations

Van Brutzel, L., Chartier, A., Crocombette, J. P.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 380 KB

english, 2008

28

Atomic Scale Modelling of the Primary Damage State of Irradiated UO2 Matrix

Van Brutzel, Laurent, Crocombette, Jean-Paul

Journal:

MRS Proceedings

Year:

2006

Language:

english

File:

PDF, 2.36 MB

english, 2006

29

Dynamic Fracture Mechanisms in Nanostructured and Amorphous Silica Glasses Million-Atom Molecular Dynamics Simulations

Brutzel, Laurent Van, Rountree, Cindy L., Kalia, Rajiv K., Nakano, Aiichiro, Vashishta, Priya

Journal:

MRS Proceedings

Year:

2001

Language:

english

File:

PDF, 75 KB

english, 2001

30

Atomic scale mechanisms for the amorphisation of irradiated graphite

Chartier, Alain, Van Brutzel, Laurent, Pannier, Baptiste, Baranek, Philippe

Journal:

Year:

2015

Language:

english

File:

PDF, 3.41 MB

english, 2015

31

Molecular dynamics simulations of high energy cascade in ordered alloys: defect production and subcascade division

Crocombette, Jean-Paul, Van Brutzel, Laurent, Simeone, David, Luneville, Laurence

Journal:

Journal of Nuclear Materials

Year:

2016

Language:

english

File:

PDF, 2.91 MB

english, 2016

32

[ASCE PHYSICS OF GLASSES - Cargese, Corisca (France) (10-22 May 1999)] Physics of glasses: Structure and dynamics - Molecular Dynamics simulations of crack propagation mode in silica

Brutzel, Laurent Van, Bouchaud, Elisabeth

Year:

1999

Language:

english

File:

PDF, 676 KB

english, 1999

33

Extreme ion irradiation of oxide nanoceramics: Influence of the irradiation spectrum

García Ferré, F., Mairov, A., Vanazzi, M., Serruys, Y., Leprêtre, F., Beck, L., Van Brutzel, L., Chartier, A., Beghi, M.G., Sridharan, K., Di Fonzo, F.

Journal:

Acta Materialia

Year:

2018

Language:

english

File:

PDF, 3.34 MB

english, 2018

34

Irradiation damage in nuclear graphite at the atomic scale

Chartier, A., Van Brutzel, L., Pageot, J.

Journal:

Year:

2018

Language:

english

File:

PDF, 3.65 MB

english, 2018

35

Damage characterization of (U,Pu)O under irradiation by molecular dynamics simulations

Balboa, Hector, Van Brutzel, Laurent, Chartier, Alain, Le Bouar, Yann

Journal:

Journal of Nuclear Materials

Year:

2018

Language:

english

File:

PDF, 1.85 MB

english, 2018

36

Mechanical behavior of (Ni, Fe)Cr 2 O 4 spinel grain boundaries studied by molecular dynamics simulations

Van Brutzel, Laurent, Chartier, Alain, Sicaud, Bertrand, Sauzay, Maxime

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 2.65 MB

english, 2019