Prof. Dr. Peter Michael Derlet

Peter Derlet is a senior staff scientist within the Condensed Matter Theory group at the Paul Scherrer Institut, Switzerland. He specializes in the atomistic modeling of materials science related issues using semi-empirical methods. His fields of interest are:

• The mechanical properties of materials with complex defect structures.
• The dynamical properties of local and extended defects.
• The development of simulation tools to model the experimental measurement of structural disorder using neutrons, photons and electrons.
• Classical magnetization dynamics in micro- and meso-scopic magnetic systems.
• The vibrational and configurational dynamics of structural glasses well below the glass transition temperature.
• Avalanche statistics using simplified dislocation dynamics geometries.
• The use of potential energy landscape exploration algorithms for use in the study of structural and magnetic excitations.

• Adjunct professor, Department of Materials, ETH Zurich
• Visiting scientist, Department of Materials Engineering, Bundesanstalt für Materialforschung und -prüfung (BAM), Berlin, Germany

• Masters Project, Reto Krueger, 2024, (Sub-nano-second structural decorrelation processes in metallic glasses; Thesis director, Prof. P. M. Derlet, ETHZ)
• Bachelor Project, Tobias Goldenberger, 2022, (Melting of 2D Skyrmion Crystals using Molecular Dynamics; Thesis director, Prof. P. M. Derlet, ETHZ)
• PhD, Hugo Bocquet 2021-, (Microscopic modelling of strongly disordered metals: emergent mechanical and magnetic properties; Thesis director, Prof. P. M. Derlet, ETHZ)
• Masters Thesis, Hugo Bocquet 2020-2021, (Thermally driven structural fluctuations and viscosity in a metallic glass; Thesis director, Prof. Francios Galliare, EPFL), awarded the 2021 Gilbert Hausmann prize
• PhD, Dominik Schildknecht 2016-2019, (Two dimensional dipolar XY systems with disorder; Thesis director, Prof. L. J. Heyderman, ETHZ/PSI)
• PhD, Soumya Swayamjyoti 2012-2016, (Atomistic Modelling of Structural Glasses; Thesis director, Prof. J. Loeffler, ETHZ)
• PhD, Araceli Valles Sales 2010-2013, (Vibrational Properties of Amorphous Solids; Thesis directors, Profs. D. Crespo and E. Pineda, UPC-BarcelonaTech)

In collaboration with Tom Fennell (LNS, Center for Neutron and Muon Science, PSI), three SNF funded PhDs in Physics/Materials science experiment and theory on the topic of "Magnetism in Correlated Disorder" will begin next year. The individual projects are:

1. Experimental PhD: New charge ices in the AMM’F6 family: grow and characterize crystals of such materials to give access to different aspects of the structural disorder, and to contrasting quantum and classical spin systems and electronic materials with strongly correlated bond disorder.
2. Theory/Simulation PhD: Spin nematic order in magnetic charge ices:  investigate how internal heterogeneous strains within CsNiCrF6 and relatives affect magnetism and the recently discovered first order nematic phase transition.
3. Experimental/Theory/Simulation PhD: Anomalous thermal transport in charge ice:  use DFT to determine the thermal conductivity for model systems large enough to capture correlated disorder. Inelastic neutron scattering measurements will be used to substantiate the results of the theoretical investigation.

If you are interested, please do not hesitate to contact me.

Please contact me if you are interested in undertaking a materials modelling based D-MATL/ETHZ Bachelor or Masters Project.

• Spring semester 2025, ETHZ, Zurich, Thermodynamics and Phase Transformations
• Spring semester 2025, ETHZ, Zurich, Computational multi-scale modeling of solids

• Five-stage ordering to a topological-defect-mediated ground state in a buckyball artificial spin ice, G. M. Macauley, L. Berchialla, P. M. Derlet and L. J. Heyderman, submitted (2024)
• Three-Dimensional Characterization of the Metamagnetic Phase Transition in B2-Ordered FeRh, J. R. Massey, S. K. Treves, A. Apseros, S. Finizio, M. Grimes, J. Reutler, C. Donnelly, J. Raabem, T. Thomson, P. M. Derlet, L. J. Heyderman, V Scagnoli, submitted (2024)

Ordered in terms of most recent (click to go to DOI link, most papers available via my PSI DORA page)

2025

• Impact of planar defects on the reversal time of single magnetic domain nanoparticles, H. Bocquet, A. Kliebert, P. M. Derlet, Physical Review Letters, Phys. Rev. Lett. 134, 136702 (2025).

2024

• A robust theory of thermal activation in magnetic systems with Gilbert damping , H. Bocquet, P. M. Derlet, Phys. Rev. B 110, 134419 (2024).
• The structure and migration of heavily irradiated grain boundaries and dislocations in Ni in the athermal limit, I. Chesser, P. M. Derlet, A. Mishra, S. Paguaga, N. Mathew, K. Dang, B. P. Uberuaga, A. Hunter, S. Fensin, Phys. Rev. Mater. 8, 093606 (2024).
• Intermittent cluster dynamics and temporal fractional diffusion in a bulk metallic glass, B. Riechers , A. Das , E. Dufresne, P.M. Derlet , and R. Maass, Nat. Comm. 15, 6595 (2024)
• Fluctuation-induced spin nematic order in magnetic charge-ice, A. Hemmatzade, K. Essafi, M. Taillefumier, M. Mueller, T. Fennell and P. M. Derlet, Phys. Rev. B. 109, 224423 (2024).
• Unifying atoms and colloids near the glass transition through bond-order topology, L. Stricker, P. M. Derlet, A. Demiroers, H. R. Vutukuri and J. Vermant, Phys. Rev. Lett. 132, 218202 (2024).
• Atomic cluster dynamics causes intermittent aging in metallic glasses, Z. Wang, B. Riechers, P. M. Derlet, R. Maass, Acta Materialia 267, 119730 (2024).

2023

• Searching for activated transitions in complex magnetic systems, H. Bocquet, P. M. Derlet, Phys. Rev. B 108, 174419 (2023).
• On the elastic microstructure of bulk metallic glasses, B. Riechers, C. Ott, S.M. Das, C.H. Liebscher, K. Samwer, P.M. Derlet, R. Maaß, Materials & Design 229, 111929 (2023).
• Shear-band cavitation determines the shape of the stress-strain curve of metallic glasses, A. Das, C. Ott, D. Pechimuthu, R. Moosavi, M. Stoica, P.M. Derlet, R. Maaß, Phys. Rev. Mater. 7, 023602 (2023).

2022

• Small-angle neutron scattering study of mesoscale magnetic disordering and skyrmion phase suppression in the frustrated chiral magnet Co6. 75Zn6. 75Mn6. 5, J.S. White, K. Karube, V. Ukleev, P.M. Derlet, R. Cubitt, C.D. Dewhurst, A.R. Wildes, XZ Yu, H.M. Rønnow, Y. Tokura, Y. Taguchi, Journal of Applied Crystallography 55, 1219 (2022).
• Optimally rejuvenated model binary glasses, P.M. Derlet, R. Maaß, Phys. Rev. Mater. 6, 125604 (2022).
• Giant Magnetic Anisotropy in the Atomically Thin van der Waals Antiferromagnet FePS3, Y. Lee, S. Son, C. Kim, S. Kang, J. Shen, M. Kenzelmann, B. Delley, T. Savchenko, S. Parchenko, W. Na, K.-Y. Choi, W. Kim, H. Cheong, P. M. Derlet, A. Kleibert, and J.-G. Park, Adv. Electron. Mater. 2022, 2200650
• Intermittent microplasticity in the presence of a complex microstructure, Q. Rizzardi, P. M. Derlet, and R. Maass, Phys. Rev. Mater 6, 073602 (2022)
• Real-space imaging of phase transitions in bridged artificial kagome spin ice, K. Hofhuis, S. H. Skjærvø, S. Parchenko, H. Arava, Z. Luo, A. Kleibert, P. M. Derlet, and L. J. Heyderman, Nature Physics (2022).
• Geometrical control of disorder-induced magnetic domains in planar synthetic antiferromagnets, K. Hofhuis, X. Wang, A. Hrabec, Z. Luo, Z. Liu, P. Gambardella, P. M. Derlet and L. J. Heyderman, Phys. Rev. Mater (Letters)6, L033001 (2022).
• Comparative study of deuterium retention and vacancy content of self-ion irradiated tungsten, A. Hollingsworth, M.-F. Barthe, M. Yu Lavrentiev, P.M. Derlet, S.L. Dudarev, D.R. Mason, Z. Hu, P. Desgardin, J. Hess, S. Davies, B. Thomas, H. Salter, E.F.J. Shelton, K. Heinola, K. Mizohata, A. De Backer, A. Baron-Wiechec, I. Jepu, Y. Zayachuk, A. Widdowson, E. Meslin, A. Morellec, Journal of Nuclear Materials 558, 153373 (2022).

2021

• Viscosity and transport in a model fragile metallic glass, P. M. Derlet, H. Bocquet, and R. Maass, Phys. Rev Mater 5, 125601 (2021).
• Frustration-driven dynamics as an origin of the disordered skyrmion phase in Co7Zn7Mn6, V. Ukleev, K. Karube, P.M. Derlet, C. Wang, H. Luetkens, D. Morikawa, A. Kikkawa, A. Wildes, L. Mangin-Thro, Y. Yamasaki, Y. Yokoyama, L. Yu, P. Gargiani, M. Valvidares, N. Jaouen, H. M. Rønnow, T.-h. Arima, Y. Tokura, Y. Taguchi, and J. S. White, npj Quantum Materials 6, 40 (2021).
• Microstructural signatures of dislocation avalanches in a high-entropy alloy, Q. Rizzardi, PM Derlet and R. Maass, Phys. Rev. Mater 5, 043604 (2021).
• Micro-plasticity in a model binary glass, PM Derlet and R. Maass, Acta. Mater. 209, 116771 (2021).
• Solving large-scale interior eigenvalue problems to investigate the vibrational properties of the boson peak regime in amorphous materials, G. Accaputo, P. M. Derlet, P. Arbenz, Lecture Notes in Computer Science book series (LNCS, volume 12456) (2021).

2020

• Correlated disorder in a model binary glass through a local SU (2) bonding topology P. M. Derlet, Phys. Rev. Mater. 4, 125601 (2020).
• Observation of transient and asymptotic driven structural states of tungsten exposed to irradiation S. Das, D. R. Mason, P. M. Derlet, S. L. Dudarev, A. London, H. Yu, N. W. Phillips, D. Yang, K. Mizohata, R. Xu, F. Hofmann, Phys. Rev. Lett., 125, 225503 (2020).
• Single femtosecond laser pulse excitation of individual cobalt nanoparticles T. M. Savchenko, M. Buzzi, L. Howald, S. Ruta, J. Vijayakumar, M. Timm, D. Bracher, S. Saha, P. M. Derlet, A. Béché, J. Verbeeck, R. W. Chantrell, C. A. F. Vaz, F. Nolting, A. Kleibert, Phys. Rev. B 102, 205418 (2020).
• Thermally superactive artificial kagome spin ice structures obtained with the interfacial Dzyaloshinskii-Moriya interaction K. Hofhuis, A. Hrabec, H. Arava, N. Leo, Y.-L. Huang, R. V. Chopdekar, S. Parchenko, A. Kleibert, S. Koraltan, C. Abert, C. Vogler, D. Suess, P. M. Derlet and L. J. Heyderman, Physical Review B 102, 180405(R) (2020).
• Control of macroscopic properties by tuning microscopic interactions in ferroic systems J. Lehmann, A. Bortis, P. M. Derlet, C. Donnelly, N. Leo, L. J. Heyderman and M. Fiebig, Nature Nanotechnology 15, 896 (2020).
• Testing of asymptomatic individuals for fast feedback-control of COVID-19 pandemics M. Müller, P. M. Derlet, C. Mudry, G. Aeppli, Physical Biology 17, 065007 (2020) Special Issue on the Biological Physics of the Coronavirus Disease 2019 Pandemic.
• The microscopic structure of a heavily irradiated material (editors suggestion), P. M. Derlet and S. L. Dudarev, Phys. Rev. Mater. 4, 023605 (2020).
• Emergent structural length scales in a model binary glass - the micro-second molecular dynamics time-scale regime (invited article), P.M. Derlet and R. Mass, J. Alloys and Compounds 282, 153209 (2020)
• Scale-dependent and scale-free microplasticity in Cu: Pop-ins in Nanoindentation vs. Intermittency in Microcompression, J. Shimanek, G. Sparks, Q. Rizzardi, P.M. Derlet, R. Maass, J. Materials Research 35, 196 (2020).

2019

• Stress breaks universal aging behavior in a metallic glass, A. Das, P. M. Derlet, C. Liu , E. M. Dufresne, R. Maass, Nature Comm 10, 5006 (2019)
• Continuous ground-state degeneracy of classical dipoles on regular lattices, D. Schildknecht, M. Schütt, L. J. Heyderman, P. M. Derlet, Phys. Rev. B 100, 014426 (2019)
• Magnetically Addressable Shape-Memory and Stiffening in a Composite Elastomer, P. Testa, R. W. Style, J. Cui, C. Donnelly, E. V. Borisova, P. M. Derlet, E R. Dufresne, L. J. Heyderman, Advanced Materials, 1900561 (2019)
• Engineering Relaxation Pathways in Building Blocks of Artificial Spin Ice for Computation (Editors suggestion) , H. Arava, N. Leo, D. Schildknecht, J. Cui, J. Vijayakumar, P. M. Derlet, A. Kleibert, L. J. Heyderman, Phys. Rev. Applied 11, 054086 (2019)
• Continuous magnetic phase transition in artificial square ice (Editors suggestion) , O. Sendetskyi, V. Scagnoli, N. Leo, L. Anghinolfi, A. Alberca, J.  Luening, U. Staub, P. M. Derlet and L. J. Heyderman, Phys. Rev. B 99, 214430 (2019)
• Poling of an artificial magneto-toroidal crystal, J. Lehmann, C. Donnelly, P. M. Derlet, L. J. Heyderman, M. Fiebig, Nature Nanotechnology 14, 141 (2019).
• Continuous magnetic phase transition in artificial square ice, O. Sendetskyi, V. Scagnoli, N. Leo, L. Anghinolfi, A. Alberca, J. Luning, U. Staub, P. M. Derlet, and L. J. Heyderman, Phys. Rev. B 99, 214430 (2019).

2018

• Energy storage in metallic glasses via flash-annealing, S. Kuechemann, P. M. Derlet, C. Liu, D. Rosenthal, G. Sparks, W. S. Larson, R. Maass, Advanced Functional Materials 28, 1805385 (2018).
• Local volume as a robust structural measure and its connection to icosahedral content in a model binary amorphous system, P. M. Derlet, R. Maass, Materialia 3, 97 (2018).
• Phase diagram of dipolar-coupled XY moments on disordered square lattices, D. Schildknecht, L. J Heyderman, P. M. Derlet, Phys. Rev. B 98, 064420 (2018).
• Collective magnetism in an artificial 2D XY spin system, N. Leo, S. Holenstein, D. Schildknecht, O. Sendetskyi, H. Luetkens, P. M. Derlet, V. Scagnoli, D. Lançon, J. R. L. Mardegan, T. Prokscha, A. Suter, Z. Salman, S. Lee and L. J. Heyderman, Nat. Comm. 9 2850 (2018).
• Computational Logic with Square Rings of Nanomagnets, H. Arava, P. M. Derlet, J. Vijayakumar, J. Cui, N.S. Bingham, A. Kleibert, and L.J. Heyderman, Nanotechnology 29, 265205 (2018).
• Thermally-activated stress relaxation in a model amorphous solid and the formation of a system-spanning shear event, P. M. Derlet, R. Maass, Acta Mater. 143, 205 (2018).
• Micro-plasticity and recent insights from intermittent and small-scale plasticity, R. Maass and P. M. Derlet, Acta Mater. 143, 338 (2018).

2017

• Magnetic Charge and Moment Relaxation Dynamics in Artificial Kagome Spin Ice, A. Farhan, P. M. Derlet, L. Anghinolfi, A. Kleibert, and L. J. Heyderman, Phys. Rev. B 96, 064409 (2017).
• Thermal processing and enthalpy storage of a binary amorphous solid: a molecular dynamics study, P. M. Derlet, R. Maass, J. Mat. Res. 32, 2668 (2017).
• Linking macroscopic rejuvenation to nano-elastic fluctuations in a metallic glass, P. Ross, S. Kuechemann, P.M. Derlet, H. Yu, W. Arnold, P. Liaw, K. Samwer, R. Maass, Acta Mater. 138, 111 (2017).
• Direct observation of enhanced magnetism in individual size- and shape-selected 3d transition metal nanoparticles, A. Kleibert, A. Balan, R. Yanes, P. M. Derlet, C. A. F. Vaz, M. Timm, A. Fraile Rodr\'iguez, A. B\'ech\'e, J. Verbeeck, R. S. Dhaka, M. Radovic, U. Nowak, and F. Nolting, Phys. Rev. B 95, 195404 (2017).
• Damage cluster distributions in numerical concrete at the mesoscale, O. Yilmaz, P. M. Derlet, J.-F. Molinari, Phys. Rev. E 95, 043002 (2017).

2016

• The statistics of the first pop-in stress or intermittent plastic event in crystal plasticity, PM Derlet, R Maass, J. App. Phys. 120, 225101 (2016).
• Critical stress statistics and a fold catastrophe in intermittent crystal plasticity, P. M. Derlet, R. Maass, Phys. Rev. E 94, 033001 (2016).
• Strain-induced structural instability in FeRh, Ulrich Aschauer, Roisin Braddell, Sonia A. Brechbuehl, Peter M. Derlet, Nicola A. Spaldin, Phys. Rev. B 94, 014109 (2016).
• Local structural excitations in model glass systems under applied load, S Swayamjyoti, JF Loeffler, PM Derlet, Phys. Rev. B 93, 144202 (2016).

2015

• Thermodynamic phase transitions in a frustrated magnetic metamaterial, L. Anghinolfi, H. Luetkens, J. Perron, M.G. Flokstra, O. Sendetskyi, A. Suter, T. Prokscha, P.M. Derlet, S.L. Lee, L.J. Heyderman, Nat. Comm. 6, 8278 (2015).
• Universal Power-Law Strengthening in Metals?, PM Derlet, R Maass, Scripta Mat 109, 19 (2015).
• A probabilistic explanation for the size effect in crystal plasticity, PM Derlet, R Maass, Philosophical Magazine 95, 1829 (2015).
• Rate-dependent shear-band initiation in a metallic glass, D. Toennies, K. Samwer, P. M. Derlet, C. A. Volkert, and R. Maass, Applied Physics Letters 106, 171907 (2015).
• Crystal Size Effect in Two Dimensions – Influence of Size and Shape, R. Maass, C.A. Volkert and P.M. Derlet, Scripta Mat 102, 27 (2015).
• In situ measurements of a homogeneous to heterogeneous transition in the plastic response of ion-irradiated Ni microspecimens111>, X. Zhao, D. J. Strickland, P. M. Derlet, M.-r. He, Y.-J. Cheng, J. Pu, K. Hattar, D. S. Gianola, Acta. Mat. 88, 121 (2015).
• Independence of slip velocities on applied stress in small-scale crystals, R Maass, PM Derlet and JR Greer, Small 11, 341 (2015).

2014

• Linking high and low temperature plasticity in bulk metallic glasses II: use of a log-normal barrier energy distribution and a mean field description of high temperature plasticity, PM Derlet, R Maass, Philosophical Magazine 94, 2776 (2014).
• Local structural excitations in model glasses, S Swayamjyoti, JF Loeffler, PM Derlet, Phys. Rev. B 89, 224201 (2014).
• Thermally Induced Magnetic Relaxation in Building Blocks of Artificial Kagome Spin Ice, A Farhan, A Kleibert, PM Derlet, L Anghinolfi, A Balan, RV Chopdekar, M Wyss, S Gliga, F Nolting, LJ Heyderman, Phys. Rev. B 89, 214405 (2014).
• Spatial ordering of nano-dislocation loops in ion-irradiated materials, SL Dudarev, K Arakawa, X Yi, Z Yao, ML Jenkins, MR Gilbert, PM Derlet, Journal of Nucl. Mat. 455, 16 (2014).
• Direct observation of magnetic metastability in iron nanoparticles A Balan A, PM Derlet, AF Rodríguez, J Bansmann, R Yanes, U Nowak, A Kleibert, F Nolting, Physical Review Letters 112, 107201 (2014)
• Molecular dynamics computation of the dynamical structure factor of a, Lennard-Jones glass: Propagation of acoustic modes at the nm-scale, A Valles, P Derlet, D Crespo, E Pineda, Journal Of Alloys And Compounds 586, S250 (2014).

2013

• Linking high- and low-temperature plasticity in bulk metallic glasses:, thermal activation, extreme value statistics and kinetic freezing, PM Derlet, R Maass, Philosophical Magazine 93, 4232 (2013).
• Small-scale plasticity: Insights into dislocation avalanche velocities, R Maass, PM Derlet, JR Greer, Scripta Materialia 69, 586 (2013).
• Off-resonant magnetization dynamics phase-locked to an intense, phase-stable terahertz transient, C Vicario, C Ruchert, F Ardana-Lamas, PM Derlet, B Tudu, J Luning, CP Hauri, Nature Photonics 7, 720 (2013).
• Direct Observation of Thermal Relaxation in Artificial Spin Ice, A Farhan, PM Derlet, A Kleibert, A Balan, RV Chopdekar, M Wyss, J Perron, A Scholl, F Nolting, LJ Heyderman, Physical Review Letters 111, 057204 (2013).
• Inverse Meyer-Neldel behavior for activated processes in model glasses, P Koziatek, J-L Barrat, P Derlet, D Rodney, Physical Review B 87, 224105 (2013).
• Exploring hyper-cubic energy landscapes in thermally active finite, artificial spin-ice systems, A Farhan, PM Derlet, A Kleibert, A Balan, RV Chopdekar, M Wyss, L Anghinolfi, F Nolting, LJ Heyderman, Nature Physics 9, 375 (2013).
• Micro-plasticity and intermittent dislocation activity in a simplified, micro-structural model, PM Derlet, R Maass, Modelling And Simulation In Materials Science And Engineering 21, 035007 (2013).
• Dynamics of laser-induced spin reorientation in Co/SmFeO3, heterostructure, L Le Guyader, A Kleibert, F Nolting, L Joly, PM Derlet, RV Pisarev, A Kirilyuk, T Rasing, AV Kimel, Physical Review B 87, 054437 (2013).

2012

• Landau-Heisenberg Hamiltonian model for FeRh, PM Derlet, Physical Review B 85, 174431 (2012).
• The Boson peak of model glass systems and its relation to atomic, structure, PM Derlet, R Maass, JF Loeffler, European Physical Journal B 85, 148 (2012).
• Single shear-band plasticity in a bulk metallic glass at cryogenic, temperatures, R Maass, D Klaumuenzer, EI Preiss, PM Derlet, JF Loeffler, Scripta Materialia 66, 231 (2012).
• Shear-band arrest and stress overshoots during inhomogeneous flow in a, metallic glass, R Maass, D Klaumuenzer, G Villard, PM Derlet, JF Loeffler, Applied Physics Letters 100, 071904 (2012).

2011

• Thermal-activation model for freezing and the elastic robustness of bulk, metallic glasses, PM Derlet, R Maass, Physical Review B 84, 220201 (2011).
• Simulating dislocation loop internal dynamics and collective diffusion, using stochastic differential equations, PM Derlet, MR Gilbert, SL Dudarev, Physical Review B 84, 134109 (2011).
• Dislocation mediated plasticity in nanocrystalline Al: the strongest, size, C Brandl, PM Derlet, H Van Swygenhoven, Modelling And Simulation In Materials Science And Engineering 19, 074005 (2011).
• Optimization of the magnetic potential for alpha-Fe, S Chiesa, PM Derlet, SL Dudarev, H Van Swygenhoven, Journal Of Physics-Condensed Matter 23, 206001 (2011).

2010

• Langevin model for real-time Brownian dynamics of interacting, nanodefects in irradiated metals, SL Dudarev, MR Gilbert, K Arakawa, H Mori, Z Yao, ML Jenkins, PM Derlet, Physical Review B 81, 224107 (2010).
• Athermal critical stresses for dislocation propagation in, nanocrystalline aluminium, C Brandl, S Tiwari, PM Derlet, H Van Swygenhoven, Philosophical Magazine 90, 977 (2010).

2009

• Quenching of bcc-Fe from high to room temperature at high-pressure, conditions: a molecular dynamics simulation, AB Belonoshko, PM Derlet, AS Mikhaylushkin, SI Simak, O Hellman, L Burakovsky, DC Swift, B Johansson, New Journal Of Physics 11, 093039 (2009).
• Atomistic simulation of a dislocation shear loop interacting with grain, boundaries in nanocrystalline aluminium, E Bitzek, C Brandl, D Weygand, PM Derlet, H Van Swygenhoven, Modelling And Simulation In Materials Science And Engineering 17, 055008 (2009).
• Free energy of a << 110 >> dumbbell interstitial defect in bcc Fe:, Harmonic and anharmonic contributions, S Chiesa, PM Derlet, SL Dudarev, Physical Review B 79, 214109 (2009).
• The EU programme for modelling radiation effects in fusion reactor, materials: An overview of recent advances and future goals, SL Dudarev, J-L Boutard, R Laesser, MJ Caturla, PM Derlet, M Fivel, C-C Fu, MY Lavrentiev, L Malerba, M Mrovec, D Nguyen-Manh, K Nordlund, M Perlado, R Schaeublin, H Van Swygenhoven, D Terentyev, J Wa, Journal Of Nuclear Materials 386-88, 1 (2009).
• The magnetic origin of anomalous high-temperature stability of, dislocation loops in iron and iron-based alloys, SL Dudarev, PM Derlet, R Bullough, Journal Of Nuclear Materials 386-88, 45 (2009).
• Atomistic calculation of elastic constants of alpha-iron containing, point defects by means of magnetic interatomic potentials, S Chiesa, PM Derlet, SL Dudarev, H Van Swygenhoven, Journal Of Nuclear Materials 386-88, 49 (2009).
• Variable-charge method applied to study coupled grain boundary migration, in the presence of oxygen", A Elsener, O Politano, PM Derlet, H Van Swygenhoven, Acta Materialia 57, 1988 (2009).
• Atomistic Simulations of Dislocations in Confined Volumes, PM Derlet, P Gumbsch, R Hoagland, J Li, DL McDowell, H Van Swygenhoven, J Wang, Mrs Bulletin 34, 184 (2009).
• The stress-strain response of nanocrystalline metals: A quantized, crystal plasticity approach, Li, PM Anderson, M-G Lee, E Bitzek, P Derlet, H Van Swygenhoven, Acta Materialia 57, 812 (2009).
• The non-degenerate core structure of a 1/2 < 111 > screw dislocation in, bcc transition metals modelled using Finnis-Sinclair potentials: The, necessary and sufficient conditions, S Chiesa, MR Gilbert, SL Dudarev, PM Derlet, H Van Swygenhoven, Philosophical Magazine 89, PII 917301898 (2009).
• Strain rates in molecular dynamics simulations of nanocrystalline metals, C Brandl, PM Derlet, H Van Swygenhoven, Philosophical Magazine 89, PII 917304728 (2009).
• Vibrational properties of grain boundaries in nanocrystalline Ni using, second moment potentials, PM Derlet, S Van Petegem, H Van Swygenhoven, Philosophical Magazine 89, PII 917305164 (2009).

2008

• The stress-strain response of nanocrystalline metals: A statistical, analysis of atomistic simulations, E Bitzek, PM Derlet, PM Anderson, H Van Swygenhoven, Acta Materialia 56, 4846 (2008).
• Structure and metastability of mesoscopic vacancy and interstitial loop, defects in iron and tungsten, MR Gilbert, SL Dudarev, PM Derlet, DG Pettifor, Journal Of Physics-Condensed Matter 20, 345214 (2008).
• Dislocation cross-slip in nanocrystalline fcc metals, E Bitzek, C Brandl, PM Derlet, H Van Swygenhoven, Physical Review Letters 100, 235501 (2008).
• Effect of the alpha-gamma phase transition on the stability of, dislocation loops in bcc iron, SL Dudarev, R Bullough, PM Derlet, Physical Review Letters 100, 135503 (2008).
• A local chemical potential approach within the variable charge method, formalism, A Elsener, O Politano, PM Derlet, H Van Swygenhoven, Modelling And Simulation In Materials Science And Engineering 16, 025006 (2008).
• Williamson-Hall anisotropy in nanocrystalline metals: X-ray diffraction, experiments and atomistic simulations, S Brandstetter, PM Derlet, S Van Petegem, H Van Swygenhoven, Acta Materialia 56, 165 (2008).

2007

• Time-Resolved Laue Diffraction of Deforming Micropillars, R Maab, S Van Petegem, H Van Swygenhoven, PM Derlet, CA Volkert, D Grolimund, Physical Review Letters 99, 1 (2007).
• Slip transfer through a general high angle grain boundary in, nanocrystalline aluminum, C Brandl, E Bitzek, PM Derlet, H Van Swygenhoven, Applied Physics Letters 91, 111914 (2007).
• BCCFe surface and cluster magnetism using a magnetic potential, P Van Zwol, PM Derlet, H Van Swygenhoven, SL Dudarev, Surface Science 601, 3512 (2007).
• Molecular dynamics modelling of radiation defects in ferromagnetic, alpha-iron, SL Dudarev, PM Derlet, Journal Of Nuclear Materials 367, 251 (2007).
• General-stacking-fault energies in highly strained metallic, environments: Ab initio calculations, C Brandl, PM Derlet, H Van Swygenhoven, Physical Review B 76, 054124 (2007).
• Multiscale modeling of crowdion and vacancy defects in, body-centered-cubic transition metals, PM Derlet, D Nguyen-Manh, SL Dudarev, Physical Review B 76, 054107 (2007).
• A 'magnetic' interatomic potential for molecular dynamics simulations, (vol 17, pg 7097, 2006), SL Dudarev, PM Derlet, Journal Of Physics-Condensed Matter 19, 239001 (2007).
• Driven mobility of self-interstitial defects under electron irradiation, SL Dudarev, PM Derlet, CH Woo, Nuclear Instruments & Methods In Physics Research Section B-Beam Interactions With Materials And Atoms 256, 253 (2007).
• Million-atom molecular dynamics simulations of magnetic iron, PM Derlet, SL Dudarev, Progress In Materials Science 52, 299 (2007).
• Interatomic potentials for materials with interacting electrons, SL Dudarev, PM Derlet, Journal Of Computer-Aided Materials Design 14, 129 (2007).
• Positron lifetime calculations for stacking fault tetrahedra in copper, S Van Petegem, J Kuriplach, PM Derlet, H Van Swygenhoven, Physica Status Solidi C - Current Topics in Solid State Physics, Vol 4, No 10 4, 3514 (2007).

2006

• From micro- to macroplasticity, S Brandstetter, H Van Swygenhoven, S Van Petegem, B Schmitt, R Maass, PM Derlet, Advanced Materials 18, 1545 (2006).
• Atomic scale modelling of the primary damage state of irradiated fcc and, bcc nanocrystalline metals, M Samaras, PM Derlet, H Van Swygenhoven, M Victoria, Journal Of Nuclear Materials 351, 47 (2006).
• Elastic properties determined from in situ X-ray diffraction", A Cervellino, PM Derlet, H Van Swygenhoven, Acta Materialia 54, 1851 (2006).
• Nucleation and propagation of dislocations in nanocrystalline fcc metals, H Van Swygenhoven, PM Derlet, AG Froseth, Acta Materialia 54, 1975 (2006).
• Computing the mobility of grain boundaries, KGF Janssens, D Olmsted, EA Holm, SM Foiles, SJ Plimpton, PM Derlet, Nature Materials 5, 124 (2006).
• Vicinal twin boundaries providing dislocation sources in nanocrystalline, Al, AG Froseth, PM Derlet, H Van Swygenhoven, Scripta Materialia 54, 477 (2006).
• Following peak profiles during elastic and plastic deformation: A, synchrotron-based technique, H Van Swygenhoven, B Schmitt, PM Derlet, S Van Petegem, A Cervellino, Z Budrovic, S Brandstetter, A Bollhalder, M Schild, Review Of Scientific Instruments 77, 013902 (2006).

2005

• Temperature-dependent residual broadening of x-ray diffraction spectra, in nanocrystalline plasticity, S Brandstetter, Z Budrovic, S Van Petegem, B Schmitt, E Stergar, PM Derlet, H Van Swygenhoven, Applied Physics Letters 87, 231910 (2005).
• A 'magnetic' interatomic potential for molecular dynamics simulations, SL Dudarev, PM Derlet, Journal Of Physics-Condensed Matter 17, 7097 (2005).
• Developing realistic grain boundary networks for use in molecular, dynamics simulations, AG Froseth, H Van Swygenhoven, PM Derlet, Acta Materialia 53, 4847 (2005).
• In situ diffraction profile analysis during tensile deformation, motivated by molecular dynamics, H Van Swygenhoven, Z Budrovic, PM Derlet, AG Froseth, S Van Petegem, Materials Science And Engineering A-Structural Materials Properties Microstructure And Processing 400, 329 (2005).
• Footprints of deformation mechanisms during in situ x-ray diffraction:, Nanocrystalline and ultrafine grained Ni, Z Budrovic, S Van Petegem, PM Derlet, B Schmitt, H Van Swygenhoven, E Schafler, M Zehetbauer, Applied Physics Letters 86, 231910 (2005).
• Dislocation activity and nano-void formation near crack tips in, nanocrystalline Ni, D Farkas, S Van Petegem, PM Derlet, H Van Swygenhoven, Acta Materialia 53, 3115 (2005).
• Twinning in nanocrystalline fcc metals, AG Froseth, PM Derlet, H Van Swygenhoven, Advanced Engineering Materials 7, 16 (2005).
• Calculation of x-ray spectra for nanocrystalline materials, PM Derlet, S Van Petegem, H Van Swygenhoven, Physical Review B 71, 024114 (2005).

2004

• Grown-in twin boundaries affecting deformation mechanisms in nc-metals, AG Frseth, PM Derlet, H Van Swygenhoven, Applied Physics Letters 85, 5863 (2004).
• Dislocations emitted from nanocrystalline grain boundaries: nucleation, and splitting distance, AG Froseth, PM Derlet, H Van Swygenhoven, Acta Materialia 52, 5863 (2004).
• Stacking fault energies and slip in nanocrystalline metals, H Van Swygenhoven, PM Derlet, AG Froseth, Nature Materials 3, 399 (2004).
• Interaction between dislocations and grain boundaries under an indenter, - a molecular dynamics simulation, A Hasnaoui, PM Derlet, H Van Swygenhoven, Acta Materialia 52, 2251 (2004).
• The influence of twins on the mechanical properties of nc-Al, A Froseth, H Van Swygenhoven, PM Derlet, Acta Materialia 52, 2259 (2004).
• Plastic deformation with reversible peak broadening in nanocrystalline, nickel, Z Budrovic, H Van Swygenhoven, PM Derlet, S Van Petegem, B Schmitt, Science 304, 273 (2004).
• High-frequency vibrational properties of metallic nanocrystalline grain, boundaries, PM Derlet, H Van Swygenhoven, Physical Review Letters 92, 035505 (2004).
• Nanocrystalline fee metals: bridging experiments with simulations, H Van Swygenhoven, PM Derlet, AG Froseth, S Van Petegem, Z Budrovic, A Hasnaoui, Interfacial Engineering For Optimized Properties Iii 819, 57 (2004).
• Nanocrystalline fcc metals: bridging experiments with simulations, H Van Swygenhoven, PM Derlet, AG Froseth, S Van Petegem, Z Budrovic, A Hasnaoui, Nanoscale Materials And Modeling-Relations Among Processing, Microstructure And Mechanical Properties 821, 285 (2004).
• What simulations suggest on deformation mechanism in NC-metals, H Van Swygenhoven, PM Derlet, Ultrafine Grained Materials Iii 821, 11 (2004).

2003

• SIA activity during irradiation of nanocrystalline Ni, M Samaras, PM Derlet, H Van Swygenhoven, M Victoria, Journal Of Nuclear Materials 323, 213 (2003).
• Movement of interstitial clusters in stress gradients of grain, boundaries, M Samaras, PM Derlet, H Van Swygenhoven, M Victoria, Physical Review B 68, 224111 (2003).
• Atomistic simulation of dislocation emission in nanosized grain, boundaries, PM Derlet, H Van Swygenhoven, A Hasnaoui, Philosophical Magazine 83, 3569 (2003).
• Radiation damage near grain boundaries, M Samaras, PM Derlet, H Van Swygenhoven, M Victoria, Philosophical Magazine 83, 3599 (2003).
• Atomistic simulations as guidance to experiments, PM Derlet, A Hasnaoui, H Van Swygenhoven, Scripta Materialia 49, 629 (2003).
• Unconventional deformation mechanism in nanocrystalline metals?, H van Swygenhoven, PM Derlet, Z Budrovic, A Hasnaoui, Zeitschrift Fur Metallkunde 94, 1106 (2003).
• Improved tight-binding parametrization for the simulation of stacking, faults in aluminum, AG Froseth, R Holmestad, PM Derlet, K Marthinsen, Physical Review B 68, 012105 (2003).
• Bonding in MgSi and Al-Mg-Si compounds relevant to Al-Mg-Si alloys, AG Froseth, R Hoier, PM Derlet, SJ Andersen, CD Marioara, Physical Review B 67, 224106 (2003).
• Dimples on nanocrystalline fracture surfaces as evidence for shear plane, formation, A Hasnaoui, H Van Swygenhoven, PM Derlet, Science 300, 1550 (2003).
• Atomistic modeling of strength of nanocrystalline metals, H Van Swygenhoven, PM Derlet, A Hasnaoui, Advanced Engineering Materials 5, 345 (2003).
• Stacking fault tetrahedra formation in the neighbourhood of grain, boundaries, M Samaras, PM Derlet, H Van Swygenhoven, M Victoria, Nuclear Instruments & Methods In Physics Research Section B-Beam Interactions With Materials And Atoms 202, 51 (2003).
• Impact of grain boundaries on structural and mechanical properties, H Van Swygenhoven, PM Derlet, A Hasnaoui, M Samaras, Nanostructures: Synthesis, Functional Properties And Applications 128, 155 (2003).
• Atomic positional disorder in fcc metal nanocrystalline grain boundaries, PM Derlet, H Van Swygenhoven, Physical Review B 67, 014202 (2003).
• Atomistic simulations of spherical indentations in nanocrystalline gold, D Feichtinger, PM Derlet, H Van Swygenhoven, Physical Review B 67, 024113 (2003).
• Are deformation mechanisms different in nanocrystalline metals?, Experiments and atomistic computer simulations., H Van Swygenhoven, Z Budrovich, PM Derlet, A Hasnaoui, Processing And Properties Of Structural Nanomaterials 67, 3 (2003).
• Solving the structure of the phases in the Al-Mg-Si alloy system with, the help of ab initio modelling, AG Froseth, SJ Andersen, CD Marioara, PM Derlet, R Hoier, Solid-State Chemistry Of Inorganic Materials Iv 755, 19 (2003).
• Grain size effect of plasticity modelled by molecular dynamics, H Van Swygenhoven, PM Derlet, A Hasnaoui, Thermodynamics, Microstructures And Plasticity 108, 253 (2003).

2002-1991

• Length scale effects in the simulation of deformation properties of, nanocrystalline metals, PM Derlet, H Van Swygenhoven, Scripta Materialia 47, PII S1359-6462(02)00182-3 (2002).
• Cooperative processes during plastic deformation in nanocrystalline fcc, metals: A molecular dynamics simulation, A Hasnaoui, H Van Swygenhoven, PM Derlet, Physical Review B 66, 184112 (2002).
• On non-equilibrium grain boundaries and their effect on thermal and, mechanical behaviour: a molecular dynamics computer simulation, A Hasnaoui, H Van Swygenhoven, PM Derlet, Acta Materialia 50, PII S1359-6454(02)00195-7 (2002).
• Intergranular fracture in nanocrystalline metals, D Farkas, H Van Swygenhoven, PM Derlet, Physical Review B 66, 060101 (2002).
• Atomic mechanism for dislocation emission from nanosized grain, boundaries, H Van Swygenhoven, PM Derlet, A Hasnaoui, Physical Review B 66, 024101 (2002).
• A first-principles study of the beta ''-phase in Al-Mg-Si alloys, PM Derlet, SJ Andersen, CD Marioara, A Froseth, Journal Of Physics-Condensed Matter 14, PII S0953-8984(02)32958-8 (2002).
• Computer simulation of displacement cascades in nanocrystalline Ni, M Samaras, PM Derlet, H Van Swygenhoven, M Victoria, Physical Review Letters 88, 125505 (2002).
• Determination of total energy tight binding parameters from first, principles calculations using adaptive simulated annealing, AG Froseth, P Derlet, R Hoier, Combinatorial And Artificial Intelligence Methods In Materials Science 700, 217 (2002).
• The role played by two parallel free surfaces in the deformation, mechanism of nanocrystalline metals: a molecular dynamics simulation, PM Derlet, H Van Swygenhoven, Philosophical Magazine A-Physics Of Condensed Matter Structure Defects And Mechanical Properties 82, 1 (2002).
• Grain-boundary sliding in nanocrystalline fcc metals, H Van Swygenhoven, PA Derlet, Physical Review B 64, 224105 (2001).
• Low-frequency vibrational properties of nanocrystalline materials, PM Derlet, R Meyer, LJ Lewis, U Stuhr, H Van Swygenhoven, Physical Review Letters 87, 205501 (2001).
• The role played by two parallel free surfaces in the deformation, mechanism of nanocrystalline metals: a molecular dynamics simulation, PM Derlet, H Van Swygenhoven, Structure and Mechanical Properties of Nanophase Materials - Theory and Computer Simulation vs. Experiment. Symposium (materials Research Society Symposium Proceedings Vol.634) 87, B1.4.1 (2001).
• Atomistic studies of plasticity in nanophase metals, H Van Swygenhoven, P Derlet, A Caro, D Farkas, M Caturla, T Diaz de la Rubia, Structure and Mechanical Properties of Nanophase Materials - Theory and Computer Simulation vs. Experiment. Symposium (materials Research Society Symposium Proceedings Vol.634) 87, B5.5.1 (2001).
• The embedded-atom model applied to vacancy formation in bulk aluminium, and lithium, PM Derlet, R Hoier, R Holmestad, K Marthinsen, N Ryum, Journal Of Physics-Condensed Matter 11, 3663 (1999).
• Real-space Green's-function approach within RHEED, PM Derlet, AE Smith, Acta Crystallographica Section A 55, 133 (1999).
• A study of vacancies in pure aluminium and their role in the diffusion, of lithium in a dilute Al-Li alloy using the embedded atom model, PM Derlet, R Hoier, R Holmestad, K Marthinsen, N Ryum, Multiscale Modelling Of Materials 538, 359 (1999).
• Geometrical correction to plasmon effects in energy-filtered RHEED, spectra, PM Derlet, AE Smith, Y Horio, Surface Science 393, 85 (1997).
• Perturbative approach to high-energy-electron surface-resonance, scattering, PM Derlet, AE Smith, Physical Review B 55, 7170 (1997).
• Stimulated vacuum pair production in a focused laser field, PM Derlet, HS Perlman, GJ Troup, Australian Journal Of Physics 50, 803 (1997).
• A positron annihilation lifetime spectroscopy study of porous silicon, using a continuous lifetime fitting algorithm, PM Derlet, TC Choy, Journal Of Materials Science Letters 15, 1949 (1996).
• Planck's radiation law: A many body theory perspective, PM Derlet, TC Choy, Australian Journal Of Physics 49, 589 (1996).
• Stimulated bremsstrahlung in a focused laser field, PM Derlet, HS Perlman, GJ Troup, Physics Letters A 209, 165 (1995).
• An investigation of the porous silicon optical absorption power law near the band edge, PM Derlet, TC Choy and AM Stoneham, Journal Of Physics-Condensed Matter 7, 2507 (1995).
• Quantum Electrodynamic Processes in Laser Beams Focused by Lenses with f=1, HS Perlman, GJ Troup, AF Hartin, PM Derlet, Australian Journal Of Physics 44, 33 (1991).
• Laser vacuum polarization and the Compton effect, HS Perlman, GJ Troup, AF Hartin, PM Derlet, Conference Proceedings. Vol.29. Quantum Electronics and Plasma Physics 6th Italian Conference 44, 39 (1991).
• Laser vacuum polarization and the compton-effect, HS Perlman, GJ Troup, AF Hartin, PM Derlet, Quantum Electronics And Plasma Physics /: 6th Italian Conference 29, 39 (1991).