Nanostructured Materials and Glasses

Nanostructured materials are solids with characteristic structure sizes in the range <100 nm, into which such a large number of lattice defects have been introduced that the properties of these substances are dominated by the defects.

Glasses are solid materials without a crystal structure. The atoms do not form a lattice, so that there is no long-range order, but rather a short-range order. Metallic glasses are created by preventing natural crystallization during cooling.

Closely related material classes are glass-crystal-composites and nanoglasses.

The elucidation of the atomic structure, thermodynamic and mechanical properties of these materials is the focus of our research interests.

Projects

We are currently working on the following topics:

  • Dislocation properties and hardening mechanisms
  • Mechanical properties of nanoglass
  • Creep behavior of glass-crystal composites
  • Shear band formation and transport in shear bands
  • Grain boundaries and dislocations in high entropy alloys
  • Nanoporous alloys

Read more

We have published results on the following topics:

Adjaoud, Omar ; Albe, Karsten (2021):
Nanoindentation of Nanoglasses Tested by Molecular Dynamics Simulations: Influence of Structural Relaxation and Chemical Segregation on the Mechanical Response.
In: Frontiers in Materials, 8, p. 664220. Frontiers, e-ISSN 2296-8016,
DOI: 10.3389/fmats.2021.664220,
[Article]

Adjaoud, Omar ; Albe, Karsten (2021):
Mechanical Properties of Glassy Nanopillars: A Comparative, Computational Study of Size Effects in Nanoglasses and Homogeneous Bulk Glasses. (Publisher's Version)
In: Frontiers in Materials, 7, Frontiers, e-ISSN 2296-8016,
DOI: 10.26083/tuprints-00019291,
[Article]

Adjaoud, Omar ; Albe, Karsten (2021):
Nanoindentation of Nanoglasses Tested by Molecular Dynamics Simulations: Influence of Structural Relaxation and Chemical Segregation on the Mechanical Response. (Publisher's Version)
In: Frontiers in Materials, 8, Frontiers, e-ISSN 2296-8016,
DOI: 10.26083/tuprints-00019353,
[Article]

Kalcher, Constanze ; Adjaoud, Omar ; Albe, Karsten (2021):
Creep Deformation of a Cu-Zr Nanoglass and Interface Reinforced Nanoglass-Composite Studied by Molecular Dynamics Simulations. (Publisher's Version)
In: Frontiers in Materials, 7, Frontiers, ISSN 2296-8016,
DOI: 10.26083/tuprints-00018634,
[Article]

Adjaoud, Omar ; Albe, Karsten (2020):
Mechanical Properties of Glassy Nanopillars: A Comparative, Computational Study of Size Effects in Nanoglasses and Homogeneous Bulk Glasses.
In: Frontiers in Materials, 7, ISSN 2296-8016,
DOI: 10.3389/fmats.2020.544660,
[Article]

Kalcher, Constanze ; Adjaoud, Omar ; Albe, Karsten (2020):
Creep Deformation of a Cu-Zr Nanoglass and Interface Reinforced Nanoglass-Composite Studied by Molecular Dynamics Simulations.
In: Frontiers in Materials, ISSN 2296-8016,
DOI: 10.3389/fmats.2020.00223,
[Article]

Nandam, Sree Harsha ; Adjaoud, Omar ; Schwaiger, Ruth ; Ivanisenko, Yulia ; Chellali, Mohammed Reda ; Wang, Di ; Albe, Karsten ; Hahn, Horst (2020):
Influence of topological structure and chemical segregation on the thermal and mechanical properties of Pd-Si nanoglasses.
In: Acta Materialia, Elsevier Ltd., ISSN 13596454,
DOI: 10.1016/j.actamat.2020.03.021,
[Article]

Adjaoud, Omar ; Albe, Karsten (2019):
Influence of microstructural features on the plastic deformation behavior of metallic nanoglasses.
In: Acta Materialia, 168, pp. 393-400. Pergamon Elsevier Science Ltd, ISSN 13596454,
DOI: 10.1016/j.actamat.2019.02.033,
[Article]

Ivanisenko, Yulia ; Kübel, Christian ; Nandam, Sree Harsha ; Wang, Chaomin ; Mu, Xiaoke ; Adjaoud, Omar ; Albe, Karsten ; Hahn, Horst (2018):
Structure and Properties of Nanoglasses.
In: Advanced Engineering Materials, pp. 1800404(1-16). WILEY-VCH, ISSN 14381656,
DOI: 10.1002/adem.201800404,
[Article]

Adjaoud, Omar ; Albe, Karsten (2017):
Microstructure formation of metallic nanoglasses: Insights from molecular dynamics simulations.
In: Acta Materialia, 145, pp. 322-330. ISSN 13596454,
DOI: 10.1016/j.actamat.2017.12.014,
[Article]

Kalcher, Constanze ; Adjaoud, Omar ; Rohrer, Jochen ; Stukowski, Alexander ; Albe, Karsten (2017):
Reinforcement of nanoglasses by interface strengthening.
In: Scripta Materialia, 141, pp. 115-119. ISSN 13596462,
[Article]

Adjaoud, Omar ; Albe, Karsten (2016):
Interfaces and interphases in nanoglasses: Surface segregation effects and their implications on structural properties.
In: Acta Materialia, 113, pp. 284-292. ISSN 13596454,
[Article]

Şopu, Daniel ; Albe, Karsten (2015):
Influence of grain size and composition, topology and excess free volume on the deformation behavior of Cu–Zr nanoglasses.
In: Beilstein Journal of Nanotechnology, 6, pp. 537-545. ISSN 2190-4286,
[Article]

Albe, Karsten ; Ritter, Yvonne ; Şopu, Daniel (2013):
Enhancing the plasticity of metallic glasses: Shear band formation, nanocomposites and nanoglasses investigated by molecular dynamics simulations.
In: Mechanics of Materials, 67, pp. 94-103. Elsevier Science Publishing, ISSN 01676636,
[Article]

Ritter, Yvonne ; Sopu, Daniel ; Gleiter, Herbert ; Albe, Karsten (2011):
Structure, stability and mechanical properties of internal interfaces in Cu64Zr36 nanoglasses studied by MD simulations.
In: Acta Materialia, 59 (17), pp. 6588-6593. Elsevier Science Publishing Company, [Article]

Sopu, Daniel (2011):
Molecular Dynamics Simulations of Metallic Nanoglasses.
TU Darmstadt,
[Ph.D. Thesis]

Sopu, Daniel ; Kotakoski, Jani ; Albe, Karsten (2011):
Finite-size effects in the phonon density of states of nanostructured germanium: A comparative study of nanoparticles, nanocrystals, nanoglasses, and bulk phases.
In: Physical Review B, 83 (24), p. 245416. American Physical Society, [Article]

Sopu, D. ; Albe, K. ; Ritter, Y. ; Gleiter, H. (2009):
From nanoglasses to bulk massive glasses.
In: Appl. Phys. Lett., 94 (19), pp. 191911-2. American Institute of Physics, ISSN 0003-6951,
[Article]

Wu, Wen-Ping ; Şopu, D. ; Yuan, X. ; Adjaoud, O. ; Song, K. K. ; Eckert, J. (2021):
Atomistic understanding of creep and relaxation mechanisms of Cu64Zr36 metallic glass at different temperatures and stress levels.
In: Journal of Non-Crystalline Solids, 559, p. 120676. ISSN 00223093,
DOI: 10.1016/j.jnoncrysol.2021.120676,
[Article]

Kalcher, Constanze ; Brink, Tobias ; Rohrer, Jochen ; Stukowski, Alexander ; Albe, Karsten (2019):
Elastostatic loading of metallic glass-crystal nanocomposites: Relationship of creep rate and interface energy.
In: Physical Review Materials, 3 (93605), pp. 1-9. American Physical Society, ISSN 2475-9953,
DOI: 10.1103/PhysRevMaterials.3.093605,
[Article]

Bera, Supriya ; Ramasamy, Parthiban ; Sopu, Daniel ; Sarac, Baran ; Zálešák, Jakub ; Gammer, Christoph ; Stoica, Mihai ; Calin, Mariana ; Eckert, Jürgen (2019):
Tuning the glass forming ability and mechanical properties of Ti-based bulk metallic glasses by Ga additions.
793, In: Journal of Alloys and Compounds, 2019, pp. 552-563. ISSN 09258388,
DOI: 10.1016/j.jallcom.2019.04.173,
[Article]

Kalcher, Constanze (2019):
Creep of Cu-Zr metallic glasses and metallic glass composites: A molecular dynamics study.
Darmstadt, Technische Universität,
[Ph.D. Thesis]

Ketov, S. V. ; Ivanov, Yu P. ; Sopu, D. ; Louzguine-Luzgin, D. V. ; Suryanarayana, C. ; Rodin, A. O. ; Schöberl, T. ; Greer, A. L. ; Eckert, J. (2019):
High-resolution transmission electron microscopy investigation of diffusion in metallic glass multilayer films.
1, In: Materials Today Advances, 2019, p. 100004. Elsevier Ltd., ISSN 25900498,
DOI: 10.1016/j.mtadv.2019.01.003,
[Article]

Sopu, D. ; Albe, K. ; Eckert, J. (2018):
Metallic glass nanolaminates with shape memory alloys.
In: Acta Materialia, 159, pp. 344-351. ISSN 13596454,
DOI: 10.1016/j.actamat.2018.08.034,
[Article]

Brink, Tobias ; Albe, Karsten (2018):
From metallic glasses to nanocrystals: Molecular dynamics simulations on the crossover from glass-like to grain-boundary-mediated deformation behaviour.
In: Acta Materialia, 156, pp. 205-214. Elsevier, ISSN 13596454,
DOI: 10.1016/j.actamat.2018.06.036,
[Article]

Kalcher, Constanze ; Brink, Tobias ; Rohrer, Jochen ; Stukowski, Alexander ; Albe, Karsten (2017):
Interface-controlled creep in metallic glass composites.
In: Acta Materialia, 141, pp. 251-260. ISSN 13596454,
DOI: 10.1016/j.actamat.2017.08.058,
[Article]

Avchaciov, K. A. ; Ritter, Y. ; Djurabekova, F. ; Nordlund, K. ; Albe, K. (2014):
Effect of ion irradiation on structural properties of Cu64Zr36 metallic glass.
In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 341, pp. 22-26. Elsevier Science Publishing, ISSN 0168583X,
[Article]

Bünz, Jonas ; Brink, Tobias ; Tsuchiya, Koichi ; Meng, Fanqiang ; Wilde, Gerhard ; Albe, Karsten (2014):
Low temperature heat capacity of a severely deformed metallic glass.
In: Physical Review Letters, 112, p. 135501. APS, [Article]

Avchaciov, K. A. ; Ritter, Y. ; Djurabekova, F. ; Nordlund, K. ; Albe, K. (2013):
Controlled softening of Cu64Zr36 metallic glass by ion irradiation.
In: Applied Physics Letters, 102 (18), p. 181910. AIP Publishing LLC, ISSN 00036951,
[Article]

Keil, Tom ; Utt, Daniel ; Bruder, Enrico ; Stukowski, Alexander ; Albe, Karsten ; Durst, Karsten (2021):
Solid solution hardening in CrMnFeCoNi-based high entropy alloy systems studied by a combinatorial approach.
In: Journal of Materials Research, 2021, pp. 1-13. Springer, ISSN 0884-2914,
DOI: 10.1557/s43578-021-00205-6,
[Article]

Thiel, F. ; Utt, D. ; Kauffmann, A. ; Nielsch, K. ; Albe, K. ; Heilmaier, M. ; Freudenberger, J. (2020):
Breakdown of Varvenne scaling in (AuNiPdPt)1−xCu high-entropy alloys.
181, In: Scripta Materialia, pp. 15-18. ISSN 13596462,
DOI: 10.1016/j.scriptamat.2020.02.007,
[Article]

Utt, Daniel ; Stukowski, Alexander ; Albe, Karsten (2020):
Grain boundary structure and mobility in high-entropy alloys: A comparative molecular dynamics study on a Σ11 symmetrical tilt grain boundary in face-centered cubic CuNiCoFe.
In: Acta Materialia, 186, pp. 11-19. Elsevier Ltd., ISSN 13596454,
DOI: 10.1016/j.actamat.2019.12.031,
[Article]

Thiel, F. ; Geissler, D. ; Nielsch, K. ; Kauffmann, A. ; Seils, S. ; Heilmaier, M. ; Utt, D. ; Albe, K. ; Motylenko, M. ; Rafaja, D. ; Freudenberger, J. (2020):
Origins of strength and plasticity in the precious metal based high-entropy alloy AuCuNiPdPt.
In: Acta Materialia, 185, pp. 400-411. Elsevier Ltd., ISSN 13596454,
DOI: 10.1016/j.actamat.2019.12.020,
[Article]

Koch, Leonie ; Granberg, Fredric ; Brink, Tobias ; Utt, Daniel ; Albe, Karsten ; Djurabekova, Flyura ; Nordlund, Kai (2017):
Local segregation versus irradiation effects in high-entropy alloys: Steady-state conditions in a driven system.
In: Journal of Applied Physics, 122 (10), pp. 105106 (1-10). ISSN 0021-8979,
[Article]

Brink, Tobias ; Koch, Leonie ; Albe, Karsten (2016):
Structural origins of the boson peak in metals: From high-entropy alloys to metallic glasses.
In: Physical Review B, 94 (22), pp. 224203(1. ISSN 2469-9950,
[Article]

Koch, Leonie (2015):
Computer simulations of ordering effects and dislocation structures in high entropy alloys.
Darmstadt, TU Darmstadt, [Master Thesis]

Levo, Emil ; Granberg, Fredric ; Utt, Daniel ; Albe, Karsten ; Nordlund, Kai Henrik ; Djurabekova, Flyura (2019):
Radiation stability of nanocrystalline single-phase multicomponent alloys.
In: Journal of Materials Research, 34 (5), pp. 854-866. Cambridge University Press, ISSN 0884-2914,
DOI: 10.1557/jmr.2019.19,
[Article]

Brink, Tobias ; Albe, Karsten (2018):
From metallic glasses to nanocrystals: Molecular dynamics simulations on the crossover from glass-like to grain-boundary-mediated deformation behaviour.
In: Acta Materialia, 156, pp. 205-214. Elsevier, ISSN 13596454,
DOI: 10.1016/j.actamat.2018.06.036,
[Article]

Yekani, Rana ; Rusak, Evgenia ; Riaz, Adnan ; Breitung, Ben ; Dehm, Simone ; Perera, Delwin ; Rohrer, Jochen ; Rockstuhl, Carsten ; Krupke, Ralph (2018):
Formation of nanocrystalline graphene on germanium.
In: Nanoscale, 10, pp. 12156-12162. Royal Society of Chemistry, ISSN 2040-3364,
DOI: 10.1039/C8NR01261J,
[Article]

Mackenchery, Karoon ; Valisetty, Ramakrishna R. ; Namburu, Raju R. ; Stukowski, Alexander ; Rajendran, Arunachalam M. ; Dongare, Avinash M. (2016):
Dislocation evolution and peak spall strengths in single crystal and nanocrystalline Cu.
In: Journal of Applied Physics, 119 (4), pp. 044301-1. ISSN 0021-8979,
[Article]

Kobler, Aaron ; Lohmiller, Jochen ; Schäfer, Jonathan ; Kerber, Michael ; Castrup, Anna ; Kashiwar, Ankush ; Gruber, Patric A. ; Albe, Karsten ; Hahn, Horst ; Kübel, Christian (2013):
Deformation-induced grain growth and twinning in nanocrystalline palladium thin films.
In: Beilstein Journal of Nanotechnology, 4, pp. 554-566. ISSN 2190-4286,
[Article]

Schäfer, Jonathan ; Albe, Karsten (2013):
Plasticity of nanocrystalline alloys with chemical order: on the strength and ductility of nanocrystalline Ni–Fe.
In: Beilstein Journal of Nanotechnology, 4, pp. 542-553. ISSN 2190-4286,
[Article]

Schäfer, Jonathan (2013):
Atomistic simulations of plasticity in nanocrystalline alloys.
Darmstadt, TU Darmstadt,
[Ph.D. Thesis]

Schäfer, Jonathan ; Stukowski, Alexander ; Albe, Karsten (2013):
On the hierarchy of deformation processes in nanocrystalline alloys: Grain boundary mediated plasticity vs. dislocation slip.
In: Journal of Applied Physics, 114 (14), p. 143501. AIP Publishing LLC, ISSN 00218979,
[Article]

Schäfer, Jonathan ; Albe, Karsten (2012):
Competing deformation mechanisms in nanocrystalline metals and alloys: Coupled motion versus grain boundary sliding.
In: Acta Materialia, 60 (17), pp. 6076-6085. Elsevier Science Publishing Company, [Article]

Simon, Daniel (2012):
Deformation mechanisms in nanocrystalline cooper: Molecular dynamics simulations on the influence of strain rate and temperature.
Darmstadt, TU Darmstadt, [Bachelor Thesis]

Vo, N. Q. ; Schäfer, J. ; Averback, R. S. ; Albe, K. ; Askenazy, Y. ; Bellon, P. (2011):
Reaching theoretical strengths in nanocrystalline Cu by grain boundary doping.
In: Scripta Materialia, 65 (8), pp. 660-663. Elsevier Science Publishing Company, [Article]

Sopu, Daniel ; Kotakoski, Jani ; Albe, Karsten (2011):
Finite-size effects in the phonon density of states of nanostructured germanium: A comparative study of nanoparticles, nanocrystals, nanoglasses, and bulk phases.
In: Physical Review B, 83 (24), p. 245416. American Physical Society, [Article]

Schäfer, Jonathan ; Stukowski, Alexander ; Albe, Karsten (2011):
Plastic deformation of nanocrystalline Pd-Au alloys: On the interplay of grain boundary solute segregation, fault energies and grain size.
In: Acta Mater., 59 (8), pp. 2957-2968. Elsevier Science Publishing Company, [Article]

Stukowski, A. ; Markmann, J. ; Weissmueller, J. ; Albe, K. (2009):
Atomistic origin of microstrain broadening in diffraction data of nanocrystalline solids.
In: Acta Materialia, 57 (5), pp. 1648-1654. Elsevier Science Publishing Company, [Article]

Zhao, Shi-Jin ; Albe, Karsten ; Hahn, Horst (2006):
Grain size dependence of the bulk modulus of nanocrystalline nickel.
In: Scripta Materialia, 55 (5), pp. 473-476. Elsevier Science Publishing Company, [Article]

Voegeli, W. ; Albe, K. ; Hahn, H. (2003):
Simulation of grain growth in nanocrystalline nickel induced by ion irradiation.
In: Nucl. Instr. Meth. B, 202, pp. 230-235. Elsevier, [Article]

Stein, Peter ; Moradabadi, Ashkan ; Diehm, P. Manuel ; Xu, Bai-Xiang ; Albe, Karsten (2018):
The influence of anisotropic surface stresses and bulk stresses on defect thermodynamics in LiCoO2 nanoparticles.
In: Acta Materialia, 159, pp. 225-240. ISSN 13596454,
DOI: 10.1016/j.actamat.2018.07.046,
[Article]

Hörmann, Nicolas G. ; Gross, Axel ; Rohrer, Jochen ; Kaghazchi, Payam (2015):
Stabilization of the γ-Sn phase in tin nanoparticles and nanowires.
In: Applied Physics Letters, 107 (12), pp. 123101107 , 123101(1. ISSN 0003-6951,
[Article]

Goel, Saurav ; Faisal, Nadimul Haque ; Ratia, Vilma ; Agrawal, Anupam ; Stukowski, Alexander (2014):
Atomistic investigation on the structure–property relationship during thermal spray nanoparticle impact.
In: Computational Materials Science, 84, pp. 163-174. Elsevier Science Publishing, ISSN 09270256,
[Article]

Tolvanen, Antti ; Albe, Karsten (2013):
Plasticity of Cu nanoparticles: Dislocation-dendrite-induced strain hardening and a limit for displacive plasticity.
In: Beilstein Journal of Nanotechnology, 4, pp. 173-179. ISSN 2190-4286,
[Article]

Diehm, P. Manuel ; Ágoston, Péter ; Albe, Karsten (2012):
Size-Dependent Lattice Expansion in Nanoparticles: Reality or Anomaly?
In: ChemPhysChem, 13 (10), pp. 2443-2454. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, ISSN 14394235,
[Article]

Pohl, Johan ; Stahl, Christian ; Albe, Karsten (2012):
Size-dependent phase diagrams of metallic alloys: A Monte Carlo simulation study on order-disorder transitions in Pt-Rh nanoparticles.
In: Beilstein Journal of Nanotechnology, 3, pp. 1-11. Beilstein Institut, [Article]

Sopu, Daniel ; Kotakoski, Jani ; Albe, Karsten (2011):
Finite-size effects in the phonon density of states of nanostructured germanium: A comparative study of nanoparticles, nanocrystals, nanoglasses, and bulk phases.
In: Physical Review B, 83 (24), p. 245416. American Physical Society, [Article]

Gross, Dietmar ; Müller, Ralf ; Müller, Michael ; Xu, Bai-Xiang ; Albe, Karsten (2011):
On the origin of inhomogeneous stress and strain distributions in single-crystalline metallic nanoparticles.
In: International Journal of Materials Research (formerly Zeitschrift fuer Metallkunde), 102 (6), pp. 743-747. Hanser, ISSN 18625282,
[Article]

Suffner, Jens ; Agoston, Peter ; Kling, Jens ; Hahn, Horst (2010):
Chemical vapor synthesis of fluorine-doped SnO2 (FTO) nanoparticles.
In: J. Nanoparticle Res., 12 (7), pp. 2579-2588. Springer, ISSN 1388-0764,
[Article]

Jarvi, T. T. ; Kuronen, A. ; Nordlund, K. ; Albe, K. (2009):
Damage production in nanoparticles under light ion irradiation.
In: Phys. Rev. B, 80 (13), pp. 132101-1. American Physical Society, [Article]

Jaervi, T. T. ; Pohl, D. ; Albe, K. ; Rellinghaus, B. ; Schultz, L. ; Fassbender, J. ; Kuronen, A. ; Nordlund, K. (2009):
From multiply twinned to fcc nanoparticles via irradiation-induced transient amorphization.
In: Europhys. Lett., 85 (2), pp. 26001-p1. IOP Publishing, [Article]

Jarvi, T. T. ; Kuronen, A. ; Nordlund, K. ; Albe, K. (2007):
Structural modification of a multiply twinned nanoparticle by ion irradiation: A molecular dynamics study.
In: J. Applied Physics, 102 (12), pp. 124304-2. ISSN 0021-8979,
[Article]

Mueller, Michael ; Albe, Karsten (2007):
Structural stability of multiply twinned FePt nanoparticles.
In: Acta Materialia, 55 (19), pp. 6617-6626. Elsevier Science Publishing Company, [Article]

Mueller, Michael ; Erhart, Paul ; Albe, Karsten (2007):
Thermodynamics of L1(0) ordering in FePt nanoparticles studied by Monte Carlo simulations based on an analytic bond-order potential.
In: Phys. Rev. B, 76 (15), [Article]

Mueller, Michael ; Albe, Karsten (2007):
Concentration of thermal vacancies in metallic nanoparticles.
In: Acta Materialia, 55 (9), pp. 3237-3244. Elsevier Science Publishing Company, [Article]

Müller, MIchael (2007):
Atomistic Computer Simulations of FePt Nanoparticles.
Darmstadt, Technische Universität, TU Darmstadt,
[Ph.D. Thesis]

Erhart, P. ; Albe, K. (2005):
Molecular dynamics simulations of gas phase condensation of silicon carbide nanoparticles.
In: Adv. Eng. Mat., 7 (10), pp. 937-945. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, [Article]

Muller, M. ; Albe, K. (2005):
Lattice Monte Carlo simulations of FePt nanoparticles: Influence of size, composition, and surface segregation on order-disorder phenomena.
In: Phys. Rev. B, 72 (9), pp. 094203-1. American Physical Society, [Article]

Müller, MIchael ; Albe, Karsten (2005):
Monte Carlo Simulations of thermodynamic properties of FePt nanoparticles.
In: Materials Research Society Spring Meeting <San Francisco,2005>, [Conference or Workshop Item]

Erhart, P. ; Albe, K. (2004):
The role of thermostats in modeling vapor phase condensation of silicon nanoparticles.
In: Appl. Surf. Sci., 226 (1-3), pp. 12-18. Elsevier Science Publishing Company, [Article]

Li, Chen ; Sanli, Ekin Simsek ; Barragan-Yani, Daniel ; Stange, Helena ; Heinemann, Marc-Daniel ; Greiner, Dieter ; Sigle, Wilfried ; Mainz, Roland ; Albe, Karsten ; Abou-Ras, Daniel ; Aken, Peter A. van (2020):
Secondary-Phase-Assisted Grain Boundary Migration in CuInSe2.
In: Physical Review Letters, 124 (9), pp. 095702. American Physical Society, ISSN 0031-9007,
DOI: 10.1103/PhysRevLett.124.095702,
[Article]

Utt, Daniel ; Stukowski, Alexander ; Albe, Karsten (2020):
Grain boundary structure and mobility in high-entropy alloys: A comparative molecular dynamics study on a Σ11 symmetrical tilt grain boundary in face-centered cubic CuNiCoFe.
In: Acta Materialia, 186, pp. 11-19. Elsevier Ltd., ISSN 13596454,
DOI: 10.1016/j.actamat.2019.12.031,
[Article]

Perera, Delwin ; Rohrer, Jochen (2018):
Structure sensitivity of electronic transport across graphene grain boundaries.
In: Physical Review B, 98 (15), pp. 155432 (1-7). ISSN 2469-9950,
DOI: 10.1103/PhysRevB.98.155432,
[Article]

Brink, Tobias ; Albe, Karsten (2018):
From metallic glasses to nanocrystals: Molecular dynamics simulations on the crossover from glass-like to grain-boundary-mediated deformation behaviour.
In: Acta Materialia, 156, pp. 205-214. Elsevier, ISSN 13596454,
DOI: 10.1016/j.actamat.2018.06.036,
[Article]

Utt, Daniel Thomas (2017):
Atomistic Simulation of Grain Boundary Effects in a high Entrophy Alloy.
Darmstadt, TU Darmstadt, [Master Thesis]

Lenchuk, Olena ; Rohrer, Jochen ; Albe, Karsten (2017):
Cohesive strength of zirconia/molybdenum interfaces and grain boundaries in molybdenum: A comparative study.
In: Acta Materialia, ISSN 13596454,
[Article]

Perera, Delwin (2017):
Influence of hydrogen on the electronic structure of grain boundaries in graphene.
Darmstadt, TU Darmstadt, [Master Thesis]

Lenchuk, Olena (2017):
DENSITY-FUNCTIONAL THEORY CALCULATIONS OF SOLUTES IN MOLYBDENUM GRAIN BOUNDARIES.
Darmstadt, Technische Universität,
[Ph.D. Thesis]

Wagner, Johannes ; Adjaoud, Omar ; Marquardt, Katharina ; Jahn, Sandro (2016):
Anisotropy of self-diffusion in forsterite grain boundaries derived from molecular dynamics simulations.
In: Contributions to Mineralogy and Petrology, 171 (12), pp. 1-9. ISSN 0010-7999,
[Article]

Lenchuk, Olena ; Rohrer, Jochen ; Albe, Karsten (2015):
Atomistic modelling of zirconium and silicon segregation at twist and tilt grain boundaries in molybdenum.
In: Journal of Materials Science, 51, pp. 1873-1881. ISSN 0022-2461,
[Article]

Perera, Delwin (2015):
Density functional theory calculations on tilt grain boundaries in graphene.
Darmstadt, TU Darmstadt, [Bachelor Thesis]

Schäfer, Jonathan ; Stukowski, Alexander ; Albe, Karsten (2013):
On the hierarchy of deformation processes in nanocrystalline alloys: Grain boundary mediated plasticity vs. dislocation slip.
In: Journal of Applied Physics, 114 (14), p. 143501. AIP Publishing LLC, ISSN 00218979,
[Article]

Schäfer, Jonathan ; Albe, Karsten (2012):
Competing deformation mechanisms in nanocrystalline metals and alloys: Coupled motion versus grain boundary sliding.
In: Acta Materialia, 60 (17), pp. 6076-6085. Elsevier Science Publishing Company, [Article]

Schäfer, Jonathan ; Albe, Karsten (2012):
Influence of solutes on the competition between mesoscopic grain boundary sliding and coupled grain boundary motion.
In: Scripta Materialia, 66 (5), pp. 315-317. Elsevier Science Publishing Company, [Article]

Vo, N. Q. ; Schäfer, J. ; Averback, R. S. ; Albe, K. ; Askenazy, Y. ; Bellon, P. (2011):
Reaching theoretical strengths in nanocrystalline Cu by grain boundary doping.
In: Scripta Materialia, 65 (8), pp. 660-663. Elsevier Science Publishing Company, [Article]

Schäfer, Jonathan ; Stukowski, Alexander ; Albe, Karsten (2011):
Plastic deformation of nanocrystalline Pd-Au alloys: On the interplay of grain boundary solute segregation, fault energies and grain size.
In: Acta Mater., 59 (8), pp. 2957-2968. Elsevier Science Publishing Company, [Article]

Porz, Lukas ; Klomp, Arne J. ; Fang, Xufei ; Li, Ning ; Yildirim, Can ; Detlefs, Carsten ; Bruder, Enrico ; Höfling, Marion ; Rheinheimer, Wolfgang ; Patterson, Eric A. ; Gao, Peng ; Durst, Karsten ; Nakamura, Atsutomo ; Albe, Karsten ; Simons, Hugh ; Rödel, Jürgen (2021):
Dislocation-toughened ceramics.
In: Materials Horizons, 2021, Royal Society of Chemistry, ISSN 2051-6347,
DOI: 10.1039/D0MH02033H,
[Article]

Utt, Daniel ; Stukowski, Alexander ; Ghazisaeidi, Maryam (2020):
The effect of solute cloud formation on the second order pyramidal to basal transition of 〈c+a〉 edge dislocations in Mg-Y solid solutions.
In: Scripta Materialia, 182, pp. 53-56. ISSN 13596462,
DOI: 10.1016/j.scriptamat.2020.02.033,
[Article]

Mock, Markus ; Albe, Karsten (2018):
Modelling of dislocation-solute interaction in ODS steels : analytic bond-order potential for the iron-yttrium system.
In: Journal of Nuclear Materials, 509, pp. 102-113. Elsevier, ISSN 0022-3115,
DOI: 10.1016/j.jnucmat.2018.06.026,
[Article]

Barragan-Yani, Daniel Antonio (2018):
First-principles study of dislocations in Cu(In,Ga)Se2 solar cell absorbers.
Darmstadt, Technische Universität,
[Ph.D. Thesis]

Stukowski, Alexander
Andreoni, Wanda ; Yip, Sidney (eds.) (2018):
Dislocation Analysis Tool for Atomistic Simulations.
In: Handbook of Materials Modeling, pp. 1-14, Springer, ISBN 978-3-319-42913-7,
DOI: 10.1007/978-3-319-42913-7,
[Book Section]

Barragan-Yani, D. ; Albe, K. (2018):
Influence of Na and Ga on the electrical properties of perfect 60° dislocations in Cu(In, Ga)Se2 thin-film photovoltaic absorbers.
In: Journal of Applied Physics, 123 (16), pp. 165705 (9). ISSN 0021-8979,
DOI: 10.1063/1.5026483,
[Article]

Barragan-Yani, Daniel ; Albe, Karsten (2017):
Atomic and electronic structure of perfect dislocations in the solar absorber materials CuInSe_2 and CuGaSe_2 studied by first-principles calculations.
In: Physical Review B, 95 (11), pp. 115203(11). ISSN 2469-9950,
[Article]

Javaid, Farhan ; Stukowski, Alexander ; Durst, Karsten (2016):
3D Dislocation Structure Evolution in Strontium Titanate: Spherical Indentation Experiments and MD Simulations.
In: Journal of the American Ceramic Society, 100 (3), pp. 1134-1145. ISSN 00027820,
DOI: 10.1111/jace.14626,
[Article]

Zhang, R. F. ; Beyerlein, I. J. ; Zheng, S. J. ; Zhang, S. H. ; Stukowski, A. ; Germann, T. C. (2016):
Manipulating dislocation nucleation and shear resistance of bimetal interfaces by atomic steps.
In: Acta Materialia, 113, pp. 194-205. ISSN 13596454,
[Article]

Zhang, Zhibo ; Stukowski, Alexander ; Urbassek, Herbert M. (2016):
Interplay of dislocation-based plasticity and phase transformation during Si nanoindentation.
In: Computational Materials Science, 119, pp. 82-89. ISSN 09270256,
[Article]

Trushin, O. ; Maras, E. ; Stukowski, A. ; Granato, E. ; Ying, S. C. ; Jónsson, H. ; Ala-Nissila, T. (2016):
Minimum energy path for the nucleation of misfit dislocations in Ge/Si(0 0 1) heteroepitaxy.
In: Modelling and Simulation in Materials Science and Engineering, 24 (3), pp. 035007. IOP Publishing, ISSN 0965-0393,
[Article]

Mackenchery, Karoon ; Valisetty, Ramakrishna R. ; Namburu, Raju R. ; Stukowski, Alexander ; Rajendran, Arunachalam M. ; Dongare, Avinash M. (2016):
Dislocation evolution and peak spall strengths in single crystal and nanocrystalline Cu.
In: Journal of Applied Physics, 119 (4), pp. 044301-1. ISSN 0021-8979,
[Article]

Koch, Leonie (2015):
Computer simulations of ordering effects and dislocation structures in high entropy alloys.
Darmstadt, TU Darmstadt, [Master Thesis]

Stukowski, Alexander (2014):
A triangulation-based method to identify dislocations in atomistic models.
In: Journal of the Mechanics and Physics of Solids, 70, pp. 314-319. Elsevier Science Publishing, ISSN 00225096,
[Article]

Tolvanen, Antti ; Albe, Karsten (2013):
Plasticity of Cu nanoparticles: Dislocation-dendrite-induced strain hardening and a limit for displacive plasticity.
In: Beilstein Journal of Nanotechnology, 4, pp. 173-179. ISSN 2190-4286,
[Article]

Schäfer, Jonathan ; Stukowski, Alexander ; Albe, Karsten (2013):
On the hierarchy of deformation processes in nanocrystalline alloys: Grain boundary mediated plasticity vs. dislocation slip.
In: Journal of Applied Physics, 114 (14), p. 143501. AIP Publishing LLC, ISSN 00218979,
[Article]

Pohl, Johan ; Albe, Karsten (2011):
Void formation in melt-grown silicon studied by molecular dynamics simulations: From grown-in faulted dislocation loops to vacancy clusters.
In: App. Phys. Lett., 99 (8), pp. 081910. American Institute of Physics, [Article]

Stukowski, Alexander ; Albe, Karsten (2010):
Extracting dislocations and non-dislocation crystal defects from atomistic simulation data.
In: Mod. Sim. Mat. Sci. Eng., 18 (8), pp. 085001-13. IOP Publishing, [Article]

Stukowski, Alexander ; Albe, Karsten (2010):
Dislocation detection algorithm for atomistic simulations.
In: Mod. Sim. Mat. Sci. Eng., 18 (2), pp. 025016-15. IOP Publishing, [Article]

Jin, Z.-H. ; Gumbsch, P. ; Albe, K. ; Ma, E. ; Lu, K. ; Gleiter, H. ; Hahn, H. (2008):
Interactions between non-screw lattice dislocations and coherent twin boundaries in face-centered cubic metals.
In: Acta Mater., 56 (5), pp. 1126-1135. Elsevier Science Publishing Company, [Article]

Jin, Z. H. ; Gumbsch, P. ; Ma, E. ; Albe, K. ; Lu, K. ; Hahn, H. ; Gleiter, H. (2006):
The interaction mechanism of screw dislocations with coherent twin boundaries in different face-centred cubic metals.
In: Scripta Materialia, 54 (6), pp. 1163-1168. Elsevier Science Publishing Company, [Article]