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 and 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 and Adjaoud, Omar and 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 and Adjaoud, Omar and Schwaiger, Ruth and Ivanisenko, Yulia and Chellali, Mohammed Reda and Wang, Di and Albe, Karsten and 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 and 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 and Kübel, Christian and Nandam, Sree Harsha and Wang, Chaomin and Mu, Xiaoke and Adjaoud, Omar and Albe, Karsten and 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 and 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 and Adjaoud, Omar and Rohrer, Jochen and Stukowski, Alexander and Albe, Karsten (2017):
Reinforcement of nanoglasses by interface strengthening.
In: Scripta Materialia, 141, pp. 115-119. ISSN 13596462,
[Article]

Adjaoud, Omar and 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 and 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 and Ritter, Yvonne and 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 and Sopu, Daniel and Gleiter, Herbert and 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 and Kotakoski, Jani and 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. and Albe, K. and Ritter, Y. and 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]

Kalcher, Constanze and Brink, Tobias and Rohrer, Jochen and Stukowski, Alexander and 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 and Ramasamy, Parthiban and Sopu, Daniel and Sarac, Baran and Zálešák, Jakub and Gammer, Christoph and Stoica, Mihai and Calin, Mariana and 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. and Ivanov, Yu P. and Sopu, D. and Louzguine-Luzgin, D. V. and Suryanarayana, C. and Rodin, A. O. and Schöberl, T. and Greer, A. L. and 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. and Albe, K. and 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 and 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 and Brink, Tobias and Rohrer, Jochen and Stukowski, Alexander and 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. and Ritter, Y. and Djurabekova, F. and Nordlund, K. and 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 and Brink, Tobias and Tsuchiya, Koichi and Meng, Fanqiang and Wilde, Gerhard and 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. and Ritter, Y. and Djurabekova, F. and Nordlund, K. and 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]

Thiel, F. and Utt, D. and Kauffmann, A. and Nielsch, K. and Albe, K. and Heilmaier, M. and 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 and Stukowski, Alexander and 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. and Geissler, D. and Nielsch, K. and Kauffmann, A. and Seils, S. and Heilmaier, M. and Utt, D. and Albe, K. and Motylenko, M. and Rafaja, D. and 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 and Granberg, Fredric and Brink, Tobias and Utt, Daniel and Albe, Karsten and Djurabekova, Flyura and 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 and Koch, Leonie and 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 and Granberg, Fredric and Utt, Daniel and Albe, Karsten and Nordlund, Kai Henrik and 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 and 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 and Rusak, Evgenia and Riaz, Adnan and Breitung, Ben and Dehm, Simone and Perera, Delwin and Rohrer, Jochen and Rockstuhl, Carsten and 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 and Valisetty, Ramakrishna R. and Namburu, Raju R. and Stukowski, Alexander and Rajendran, Arunachalam M. and 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 and Lohmiller, Jochen and Schäfer, Jonathan and Kerber, Michael and Castrup, Anna and Kashiwar, Ankush and Gruber, Patric A. and Albe, Karsten and Hahn, Horst and 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 and 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 and Stukowski, Alexander and 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 and 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. and Schäfer, J. and Averback, R. S. and Albe, K. and Askenazy, Y. and 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 and Kotakoski, Jani and 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 and Stukowski, Alexander and 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. and Markmann, J. and Weissmueller, J. and 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 and Albe, Karsten and 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. and Albe, K. and 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 and Moradabadi, Ashkan and Diehm, P. Manuel and Xu, Bai-Xiang and 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. and Gross, Axel and Rohrer, Jochen and 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 and Faisal, Nadimul Haque and Ratia, Vilma and Agrawal, Anupam and 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 and 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 and Ágoston, Péter and 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 and Stahl, Christian and 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 and Kotakoski, Jani and 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 and Müller, Ralf and Müller, Michael and Xu, Bai-Xiang and 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 and Agoston, Peter and Kling, Jens and 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. and Kuronen, A. and Nordlund, K. and 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. and Pohl, D. and Albe, K. and Rellinghaus, B. and Schultz, L. and Fassbender, J. and Kuronen, A. and 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. and Kuronen, A. and Nordlund, K. and 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 and 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 and Erhart, Paul and 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 and 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. and 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. and 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 and 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. and 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 and Sanli, Ekin Simsek and Barragan-Yani, Daniel and Stange, Helena and Heinemann, Marc-Daniel and Greiner, Dieter and Sigle, Wilfried and Mainz, Roland and Albe, Karsten and Abou-Ras, Daniel and van Aken, Peter A. (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 and Stukowski, Alexander and 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 and 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 and 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 and Rohrer, Jochen and 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 and Adjaoud, Omar and Marquardt, Katharina and 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 and Rohrer, Jochen and 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 and Stukowski, Alexander and 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 and 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 and 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. and Schäfer, J. and Averback, R. S. and Albe, K. and Askenazy, Y. and 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 and Stukowski, Alexander and 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]

Utt, Daniel and Stukowski, Alexander and 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]

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 and 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. and 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 and 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 and Stukowski, Alexander and 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. and Beyerlein, I. J. and Zheng, S. J. and Zhang, S. H. and Stukowski, A. and 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 and Stukowski, Alexander and 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. and Maras, E. and Stukowski, A. and Granato, E. and Ying, S. C. and Jónsson, H. and 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 and Valisetty, Ramakrishna R. and Namburu, Raju R. and Stukowski, Alexander and Rajendran, Arunachalam M. and 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 and 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 and Stukowski, Alexander and 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 and 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 and 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 and 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. and Gumbsch, P. and Albe, K. and Ma, E. and Lu, K. and Gleiter, H. and 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. and Gumbsch, P. and Ma, E. and Albe, K. and Lu, K. and Hahn, H. and 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]