Atomistic simulations of dislocations in confined volumes (2009)
Derlet, P.M., Gumbsch, P., Hoagland, R., Li, J., McDowell, D.L., Swygenhoven, H. Van, ...
Internal microstructural length scales play a fundamental role in the strength and ductility of a material. Grain boundaries in nanocrystalline structures and heterointerfaces in nanolaminates can...
Motz, C., Weygand, D., Senger, J., Gumbsch, P.
Realistic dislocation network topologies were generated by relaxing an initially pinning point free dislocation loop structure using three-dimensional discrete dislocation dynamics simulations....
Siska, F., Weygand, D., Forest, S., Gumbsch, P.
3D finite element Simulations of 9-grain multicrystalline aggregates are performed within the framework of the classical continuum Crystal plasticity and discrete dislocation dynamics. The results...
Bako, B., Samaras, M., Weygand, D., Chen, J., Gumbsch, P., Hoffelner, W.
Dispersoid strengthening is particularly important for ferritic based structural components used in nuclear applications due to their superior radiation resistance and creep strength at high...
Simulation of small-angle tilt grain boundaries and their response to stress (2009)
Cheng, Y., Weygand, D., Gumbsch, P.
The atomic structure and energy of small-angle tilt grain boundaries in bcc tungsten and fcc aluminum are determined by atomistic simulations. The results show the dependence of the arrangement of...
Structure and failure of fcc/bcc heterophase boundaries in metals (2009)
Hashibon, A., Elsässer, C., Gumbsch, P.
The atomistic structure, thin-film stability, and mechanical failure processes at fcc/bcc heterophase boundaries are studied in the Cu-Ta model system by ab initio density functional theory (DFT)...
Discrete dislocation dynamics study of the influence of boundary conditions in micro-samples. (2009)
Senger, J., Weygand, D., Kraft, O., Gumbsch, P.
Frühjahrstagung DPG, Fachverband Metall- und Materialphysik, Dresden, 22.-27.März 2009
Virtual diffraction of MD-simulated nanocrystalline Pd under compression. (2009)
Markmann, J., Bachurin, D., Gumbsch, P., Weissmüller, J.
Frühjahrstagung DPG, Fachverband Metall- und Materialphysik, Dresden, 22.-27.März 2009
Discrete dislocation simulations of the plasticity of micro-pillars under uniaxial loading (2008)
Senger, J., Weygand, D., Gumbsch, P., Kraft, O.
Recent experiments have shown an unexpected strong size effect in uniaxial compression tests of metallic micro-pillars, such as the flow stress increases with decreasing pillar diameter. In our work,...
Energy radiation and limiting speeds of fast moving edge dislocations in tungsten (2008)
The energy loss of a uniformly moving dislocation radiating lattice waves is quantitatively studied by atomistic simulations. The velocity dependence of the energy radiation provides a unique way to...
Hashibon, A., Lozovoi, A.Y., Mishin, Y., Elsasser, C., Gumbsch, P.
An angle- dependent interatomic potential has been developed for the Cu- Ta system by crossing two existing potentials for pure Cu and Ta. The cross- interaction functions have been fitted to first-...
Weygand, D., Poignant, M., Gumbsch, P., Kraft, O.
The size-dependent flowstress in uniformly loaded pillars has been modeled using a discrete dislocation dynamics tool. Starting from Frank-Read sources of given length and random orientation, the...
Cheng, Y., Mrovec, M., Gumbsch, P.
The strength of polycrystals is largely controlled by the interaction between lattice dislocations and grain boundaries. The atomistic details of these interactions are difficult to discern even by...
Anticrack nucleation as triggering mechanism for snow slab avalanches (2008)
Heierli, J., Gumbsch, P., Zaiser, M.
Snow slab avalanches are believed to begin by the gravity- driven shear failure of weak layers in stratified snow. The critical crack length for shear crack propagation along such layers should...
Motz, C., Weygand, D., Senger, J., Gumbsch, P.
Discrete dislocation dynamics simulations in three dimensions are performed on micro-sized bending beams and the results are compared with experiments. A strong size dependence of the flow stress rf...
Gumbsch, P., Albe, K., Mae, E., Luf, K., Gleiter, H., ...
In a first report [Jin ZH, Gumbsch P, Ma E, Albe K, Lu K, Hahn H, et al. Scripta Mater 2006;54:1163], interactions between screw dislocation and coherent twin boundary (CTB) were studied via...
Stress-driven oxidation chemistry of wet silicon surfaces (2008)
Ciacchi, L.C., Cole, D.J., Payne, M.C., Gumbsch, P.
The formation of a hydroxylated native oxide layer on Si(001) under wet conditions is studied by means of first principles molecular dynamics simulations. Water molecules are found to adsorb and...
High-cycle fatigue and strengthening in polycrystalline silicon (2008)
Boroch, R.E., Müller-Fiedler, R., Bagdahn, J., Gumbsch, P.
The reliability of MEMS-based sensors for automotive applications critically depends on their high-cycle load-bearing capacity. To investigate the influence of high-frequency cyclic loading on...
Low-speed fracture instabilities in a brittle crystal (2008)
Kermode, J.R., Albaret, T., Sherman, D., Bernstein, N., Gumbsch, P., Payne, M.C., ...
When a brittle material is loaded to the limit of its strength, it fails by the nucleation and propagation of a crack(1). The conditions for crack propagation are created by stress concentration in...
Pastewka, L., Pou, P., Perez, R., Gumbsch, P., Moseler, M.
First nearest-neighbor models are routinely used for atomistic modeling of covalent materials. Neighbors are usually determined by looking for atoms within a fixed interaction range. While these...
Pastewka, L, Moser, S., Moseler, M., Blug, B., Meier, S., Hollstein, T., ...
Amorphous hydrocarbon (a-C: H) films have enormous potential as low friction, wear resistant coatings. Here. we present a plasma assisted chemical vapour deposition process for a-C: H that exhibits...
Reversible relaxation at charged metal surfaces: An ab initio study (2008)
Umeno, Y., Elsässer, C., Meyer, B., Gumbsch, P., Weissmüller, J.
Results of an ab initio density functional theory study of atomic and electronic relaxation at electrically charged surfaces of Au suggest that the outward relaxation of the top layer at negative...
Reversible relaxation at charged metal surfaces: An ab initio study (2008)
Umeno, Y., Elsässer, C., Meyer, B., Gumbsch, P., Weissmüller, J.
Results of an ab initio density functional theory study of atomic and electronic relaxation at electrically charged surfaces of Au suggest that the outward relaxation of the top layer at negative...
Pastewka, L., Pou, P., Perez, R., Gumbsch, P., Moseler, M.
First nearest-neighbor models are routinely used for atomistic modeling of covalent materials. Neighbors are usually determined by looking for atoms within a fixed interaction range. While these...
Hashibon, A., Lozovoi, A.Y., Mishin, Y., Elsässer, C., Gumbsch, P.
Interfaces between different phases are of significant fundamental interest and play an important role in many areas of technology. This is particularly true for interfaces between highly dissimilar...
A non-linear multiple slip theory in continuum dislocation dynamics (2008)
Hochrainer, T., Gumbsch, P., Zaiser, M.
Crystal plasticity is the result of the motion and complex and effectively non-linear interactions of dislocations. The collective behaviour of dislocations plays a prominent role both for the...
Crack nucleation at the Sigma 9(2(2)over-bar1) symmetrical tilt grain boundary in tungsten (2008)
Cheng, Y., Mrovec, M., Gumbsch, P.
Crack nucleation mechanisms and nucleation conditions are still poorly understood. Experimental evidence suggests that crack nucleation mainly occurs when growing twins, slip or persistent slip bands...
Cheng, Y., Mrovec, M., Gumbsch, P.
The strength of polycrystals is largely controlled by the interaction between lattice dislocations and grain boundaries. The atomistic details of these interactions are difficult to discern even by...
Weber, M., Autenrieth, H., Kotschenreuther, J., Gumbsch, P., Schulze, V., Löhe, D., ...
For the production of small quantities of micro devices, machining is a low cost alternative to lithographic processing techniques. However, machining shows process specific size-effects upon...
Jin, Z.H., Gumbsch, P., Albe, K., Ma, E., Lu, K., Gleiter, H., ...
Acta Materialia, 56(2008) S.1126-35
Weygand, D., Poignant, M., Gumbsch, P., Kraft, O.
Materials Science and Engineering A, 483-484(2008) S.188-90
Discrete dislocation simulations of the plasticity of micro-pillars under uniaxial loading. (2008)
Senger, J., Weygand, D., Gumbsch, P., Kraft, O.
Scripta Materialia, 58(2008) S.587-90
Reversible relaxation at charged metal surfaces: An ab initio study. (2008)
Umeno, Y., Elsässer, C., Meyer, B., Gumbsch, P., Weissmüller, J.
EPL, 84(2008) S.13002/1-6
The experimental observation that the activation energies for the brittle-to-ductile transition (BDT) and for dislocation glide are equal, e.g. in silicon [1], germanium [2], and alumina [3],...
Molecular Dynamics Simulations of Crack Propagation in (2007)
R. Mikulla, J. Stadler, P. Gumbsch
Crack propagation is studied in a two-dimensional binary model-quasicrystal by molecular dynamics simulations. Three regimes of motion can be discerned: An intermittent regime with stop and go, a...
Dynamic fracture of icosahedral model quasicrystals: A molecular dynamics study (2007)
Rösch, F., Rudhart, Ch., Roth, J., Gumbsch, P.
Ebert et al. [Phys. Rev. Lett. 77, 3827 (1996)] have fractured icosahedral Al-Mn-Pd single crystals in ultrahigh vacuum and have investigated the cleavage planes in-situ by scanning tunneling...
Fracture of complex metallic alloys: An atomistic study of model systems (2007)
Molecular dynamics simulations of crack propagation are performed for two extreme cases of complex metallic alloys (CMAs): In a model quasicrystal the structure is determined by clusters of atoms,...
Ab initio study of surface stress response to charging (2007)
Umeno, Y., Elsässer, Ch., Meyer, B., Gumbsch, P., Nothacker, M., Weissmuller, J., ...
We explore an efficient way to numerically evaluate the response of the surface stress of a metal to changes in its superficial charge density by analysis of the strain-dependence of the work...
Atomistic modeling of hydrocarbon systems using analytic bond-order potentials (2007)
Mrovec, M., Moseler, M., Elsässer, C., Gumbsch, P.
The latest development of Pettifor's bond-order approach - the analytic bond-order potentials (ABOPs) - represents a significant improvement over the empirical potentials of the Abell-Tersoff-Brenner...
Finite element simulations of the cyclic elastoplastic behaviour of copper thin films (2007)
Siska, F., Forest, S., Gumbsch, P., Weygand, D.
A large-scale computational and statistical strategy is presented to investigate the development of plastic strain heterogeneities and plasticity induced roughness at the free surface in...
Hochrainer, T., Zaiser, M., Gumbsch, P.
We propose a dislocation density measure which is able to account for the evolution of systems of three-dimensional curved dislocations. The definition and evolution equation of this measure arise as...
Ab initio study of surface stress response to charging (2007)
Umeno, Y., Elsasser, C., Meyer, B., Gumbsch, P., Nothacker, M., Weissmüller, J., ...
We explore an efficient way to numerically evaluate the response of the surface stress of a metal to changes in its superficial charge density by analysis of the strain-dependence of the work...
Bako, B., Weygand, D., Samaras, M., Chen, J., Pouchon, M.A., Gumbsch, P., ...
In oxide dispersion strengthened steels the interactions between dispersoids and dislocations determine the material's plasticity. Using three-dimensional Discrete Dislocation Dynamics simulations,...
Keramische Walzensysteme aus Siliciumnitrid (2007)
Khader, I., Gumbsch, P., Kailer, A.
Ziel dieses Projekts ist eine grundlegende Untersuchung der Schädigungsmechanismen beim Drahtwalzen mit Walzwerkzeugen aus Siliziumnitrid. Hierbei besteht eine enge Zusammenarbeit mit anderen...
Damage mechanisms of silicon nitride rolls in hot rolling of copper wire (2007)
Khader, I., Gumbsch, P., Kailer, A.
Rolling accounts for the major part of all metalworking processes. Unlike conventional rolls, ceramic rolls exhibit significantly higher wear resistance and tend to produce parts with superior...
Hashibon, A., Elsässer, C., Mishin, Y., Gumbsch, P.
The adhesion, stability, and wetting behavior at interfaces between thin Cu films and clean Ta (110) substrates are investigated by first-principles calculations using density functional theory (DFT)...
Atomistic simulations of dislocation - crack interaction (2007)
The interaction of dislocations with a static modeI crack is studied by large scale molecular dynamics simulations. The model consists of a blunted [001] (110) crack in nickel, to which after...
Siska, F., Forest, S., Gumbsch, P.
Finite element simulations of the elastic and elasticplastic deformation of copper thin films are performed in the presence or not of substrate. The investigated textures are {111} and {001}. In the...
Hashibon, A., Elsässer, C., Mishin, Y., Gumbsch, P.
The adhesion, stability, and wetting behavior at interfaces between thin Cu films and clean Ta (110) substrates are investigated by first-principles calculations using density functional theory (DFT)...
Atomistic modeling of hydrocarbon systems using analytic bond-order potentials (2007)
Mrovec, M., Moseler, M., Elsässer, C., Gumbsch, P.
The latest development of Pettifor's bond-order approach - the analytic bond-order potentials (ABOPs) - represents a significant improvement over the empirical potentials of the Abell-Tersoff-Brenner...
Ab initio study of surface stress response to charging (2007)
Umeno, Y., Elsasser, C., Meyer, B., Gumbsch, P., Nothacker, M., Weissmüller, J., ...
We explore an efficient way to numerically evaluate the response of the surface stress of a metal to changes in its superficial charge density by analysis of the strain-dependence of the work...
Weygand, D., Senger, J., Kraft, O., Gumbsch, P.
71.Jahrestagung der Deutschen Physikalischen Gesellschaft und DPG Frühjahrstagung des Arbeitskreises Festkörperphysik, Fachverband Metall- und Materialphysik, Regensburg, 26.-30.März 2007
Plasticity of thin polycrystalline metallic films: a discrete dislocation dynamics approach. (2007)
Senger, J., Weygand, D., Kraft, O., Gumbsch, P.
71.Jahrestagung der Deutschen Physikalischen Gesellschaft und DPG Frühjahrstagung des Arbeitskreises Festkörperphysik, Fachverband Metall- und Materialphysik, Regensburg, 26.-30.März 2007
Surface stress-charge response of electrodes: experiment and Ab initio computation. (2007)
Weissmüller, J., Umeno, Y., Weigend, F., Evers, F., Viswanath, R.N., Kramer, D., ...
212th Meeting of the Electrochemical Society (ECS), Washington, D.C., October 7- 12, 2007
Ab initio study of surface stress response to charging. (2007)
Umeno, Y., Elsaesser, C., Meyer, B., Gumbsch, P., Nothacker, M., Weissmüller, J., ...
Europhysics Letters, 78(2007) S.13001
Virtuelle Werkstoffentwicklung für hochleistungsfeste Metallisierungen (HOME). (2007)
Kraft, O., Gumbsch, P., Courty, D., Gnielka, T., Eberl, C., Ruile, W., ...
3.WING-Konf., Berlin, 22.-24.Oktober 2007
Simulation of welded aluminium automotive components (2006)
Veneziano, C., Brand, M., Pfeiffer, W., Siegele, D., Gumbsch, P.
A successful lightweight construction can only be achieved by an optimised combination of material selection, design and fabrication. When using aluminium alloys for light weight components welding...
Structural relaxation made simple (2006)
Bitzek, E., Koskinen, P., Gähler, F., Moseler, M., Gumbsch, P.
We introduce a simple local atomic structure optimization algorithm which is significantly faster than standard implementations of the conjugate gradient method and often competitive with more...
Walde, T., Gumbsch, P., Riedel, H.
A self-consistent texture model is implemented in the finite-element code ABAQUS /Explicit. Hardening of the slip systems is described by evolution laws for dislocation densities, and the Bauschinger...
Die Multiskalen-Material-Modellierung ist zu einem der großen Innovationsthemen in der akademischen Material- und Ingenieurwissenschaft ebenso wie in der industriellen Produktforschung und...
Fracture of complex metallic alloys: An atomistic study of model systems (2006)
Molecular dynamics simulations of crack propagation are performed for two extreme cases of complex metallic alloys. In a model quasicrystal the structure is determined by clusters of atoms, whereas...
Hagelaar, J.H.A., Bitzek, E., Flipse, C.F.J., Gumbsch, P.
This paper presents atomistic simulations of contact formation, indentation, sub sequent pulling, and contact failure between a tungsten tip and a tungsten substrate. Different combinations of [111]...
Umeno, Y., Meyer, B., Elsässer, C., Gumbsch, P.
The ferroelectricity of single-domain ultrathin PbTiO3 films sandwiched between metallic Pt electrodes has been studied using ab initio density-functional theory (DFT) calculations within the...
Interatomic potentials and the simulation of fracture: C15 NbCr2 (2006)
The discrete nature of solids and the interatomic interactions strongly influence crack propagation. Lattice trapping results in stable cracks above and below the critical Griffith load. Local atomic...
Shot peening is a common procedure for improving the static and cyclic strength of metal components by a combination of work hardening and the introduction of compressive stresses into the surface...
Gumbsch, P., Ma, E., Albe, K., Lu, K., Hahn, H., ...
It is well established that the mechanical properties of polycrystalline metals depend on the interaction between lattice dislocations and grain boundaries [13 ], but many details of this interaction...
Ab initio DFT study on ferroelectricity on perovskite surfaces and in thinfilm capacitors (2006)
Umeno, Y., Elsässer, C., Meyer, B., Gumbsch, P., Shimada, T., Kitamura, T.
Umeno, Y., Meyer, B., Elsässer, C., Gumbsch, P.
The ferroelectricity of single-domain ultrathin PbTiO3 films sandwiched between metallic Pt electrodes has been studied using ab initio density-functional theory (DFT) calculations within the...
Jin, Z.H., Gumbsch, P., Ma, E., Albe, K., Lu, K., Hahn, H., ...
Scripta Materialia, 54(2006) S.1163-68
Weygand, D., Poignant, M., Kraft, O., Gumbsch, P.
12th Internat.Symp.on Plasticity, Halifax, CDN, July 17-22, 2006
Ab initio study of surface stresses of charged Au films. (2006)
Umeno, Y., Weissmüller, J., Elsässer, C., Meyer, B., Gumbsch, P.
Misra, A. [Hrsg.]
New directions in mechanics (2005)
Kassner,M. E., Nemat-Nasser,S., Suo,Z., Bao,G., Barbour,J. C., Brinson,L. C., ...
Neugebauer, R., Heidl, W., Michael, D., Gumbsch, P., Schmitt, W., Krasowsky, A.
Dieses Projekt wurde durchgeführt, um die Anwendungsbereiche der verschiedenen Materialmodelle zu ermitteln, welche in kommerziellen Programmsystemen für die Umformsimulation zur Verfügung stehen....
An application oriented view on materials modeling (2005)
Modeling and simulation has become a major part of Materials Science and Enginee ring in application as well as industrial research and development. Materials or iented modeling and simulation,...
The ultrasmoothness of diamond-like carbon surfaces (2005)
Moseler, M., Gumbsch, P., Casiraghi, C., Ferrari, A.C., Robertson, J.
The ultrasmoothness of diamond-like carbon coatings is explained by an atomistic/continuum multiscale model. At the atomic scale, carbon ion impacts induce downhill currents in the top layer of a...
Nanoporoese Filter- oder Traegermembran sowie Verfahren zur Herstellung (2005)
Heilmann, A., Teuscher, N., Gumbsch, P.
WO2005039743 A UPAB: 20050603 NOVELTY - A metal substrate (1) e.g. aluminium foil, is embossed with surface depressions (2) of at least 20 micron depth, before being subjected to anodic oxidation to...
Moseler, M., Riedel, H., Gumbsch, P., Stäring, J., Mehlig, B.
We study the shock-induced phase transformation from fullerite to a dense amorphous carbon phase by tight-binding molecular dynamics. For increasing hydrostatic pressures P, the C60 cages are found...
Metals with a body centered cubic crystal structures, like tungsten, exhibit a pronounced semibrittle regime at intermediate temperatures. In this regime their fracture toughness strongly depends on...
Risse und Grenzflächen im Computer (2005)
Mit immer leistungsfähigeren Computern lassen sich die Eigenschaften von Werkstoffen immer besser simulieren. Dies gelingt im Nanomaßstab sogar ab initio, d.h. man kann die Werkstoffeigenschaften...
Computer simulation as a tool in PM material science and technology (2005)
Kraft, T., Riedel, H., Gumbsch, P.
This article describes the simulation of different powder technological processing steps. Among many routes the die compaction processing route is selcted as a demonstration example. From the process...
Temperature dependence of crack propagation in a two-dimensional model quasicrystal (2005)
The propagation of cracks in two-dimensional decagonal model quasicrystals is studied under mode L loading by means of molecular dynamics simulations. In particular, we investigate the dependence on...
Study of dislocation reactions and rearrangements under different loading conditions (2005)
In this dislocation dynamics study of a single crystal under a loading-unloading sequence, the role of dislocation reaction is presented. The formation of prismatic dislocation loops is observed...
Similarity considerations on the simulation of turning processes of steels (2005)
Delonnoy, L., Hochrainer, T., Schulze, V., Löhe, D., Gumbsch, P.
In order to investigate size effects occurring in the miniaturization of turning processes a complete dimensional analysis using a materials model for high-speed deformation was performed. The...
Dynamic fracture of icosahedral model quasicrystals: A molecular dynamics study (2005)
Rösch, F., Rudhart, F.C., Roth, J., Gumbsch, P.
Ebert et al. Phys. Rev. Lett. 77, 3827, 1996 have fractured icosahedral Al-Mn-Pd single crystals in ultrahigh vacuum and have investigated the cleavage planes in situ by scanning tunneling microscopy...
Dynamic aspects of dislocation motion: Atomistic simulations (2005)
Atomistic simulations of accelerating edge and srew dislocations were carried out to study the dynamics of dislocations in a face centered cubic metal. Using two different embedded atom potentials...
Ab initio study of the surface properties and ideal strength of (100) silicon thin films (2005)
Umeno, Y., Kushima, A., Kitamura, T., Gumbsch, P., Li, J.
Studying the ideal strength of nanostructured materials is important for understanding of their mechanical properties. We have performed ab initio modeling of nanoscale Si films with (100) surfaces...
New directions in mechanics (2005)
Kassner, M. E., Nemat-Nasser, S., Suo, Z., Bao, G., Barbour, J. C., Brinson, L. C., ...
Diamond turning of intermetallic, single-crystalline NiAl (2005)
Brinksmeier, E., Rentsch, R., Zhang, C., Gumbsch, P.
In the paper, diamond cutting properties of NiAl are reported. Specific cutting force, force ratio, and specific cutting energy are found as a function of cutting speed, depth of cut, feed rate, as...
Moseler, M., Riedel, H., Gumbsch, P., Staring, J., Mehlig, B.
We have studied the shock-induced phase transition from fullerite to a dense amorphous carbon phase by tight-binding molecular dynamics. For increasing hydrostatic pressures P, the C60-cages are...
Influences of process scaling in metal cutting with geometrically defined cutting edges (2004)
Kotschenreuther, J., Delonnoy, L., Hochrainer, T., Schmidt, J., Fleischer, J., Schulze, V., ...
A main tendency in technolgy is the miniaturization of devices and components. Micro-cutting has the potential to overcome restrictions other operations are limited to. When the cutting-depth...
Crack propagation of silicon by hybrid tight-binding molecular dynamics (2004)
Shibutani, Y., Hori, N., Ogata, S., Gumbsch, P.
Highly strained crack-tip fiel of silicon is analyzed using hybridized computational scheme coupling with the order N tight-binding (TB) method and the empirical modified Tersoff potential. The...
Atomistic simulations of an accelerating edge dislocation were carried out to study the effects of drag and inertia. Using an embedded atom potential for nickel, the Peierls stress, the effective...
Crystalline to glassy: Crack propagation modes in decagonal quasicrystals (2004)
The propagation of mode-I cracks in a two-dimensional decagonal model quasicrystals is studied by molecular dynamics simulations. The samples are endowed with an atomically sharp seed crack and a...
Crack propagation in perfectly ordered and random tiling quasicrystals (2004)
Numerical experiments have been performed on the propagation of modeI cracks in both ordered and randomized two-dimensional decagonal mode quasicrystals. In particular, the dependence on temperature,...
Cleavage planes of icosahedral quasicrystals: A molecular dynamics study (2004)
Rösch, F., Rudhart, C., Gumbsch, P.
The propagation of modeI cracks in a three-dimensional icosahedral model quasicrystal has been studied by molecular dynamics techniques. In particular, the dependence on the plane structure and the...
Discrete dislocation dynamics simulation of thin film plasticity (2004)
Blanckenhagen, B. Von, Gumbsch, P.
Here it is illustrated how discrete dislocation dynamics (DDD) simulations can be used to investigate various aspects of the plastic deformation of thin films. The description of polycrystalline fcc...
Discrete dislocation dynamics simulation of crack-tip plasticity (2004)
The fracture toughness of transition metals or semiconductor crystals strongly depends on loading tate and temperature in such a way that the fracture toughness increases with temperature or with...
Atomistic study of edge dislocations in FCC metals: Drag and inertial effects (2004)
Bitzek, E., Weygand, D., Gumbsch, P.
Atomistic simulations of an accelerating edge dislocation were carried out to study drag and inertial effects. Using an embedded atom potenial for nickel the Peierls stress, the effectice mass and...
Geprüft im virtuellen Labor (2004)
Kürzeren Produktzyklen und steigendem Innovationsdruck können Zulieferunternehmen durch simulationsgestützte Entwicklung begegnen. Die Simulation hilft, Produktentwicklung effizient und auf...
Discrete dislocation simulation of plastic deformation in metal thin films (2004)
Blanckenhagen, B. Von, Arzt, E., Gumbsch, P.
The plastic deformation of polycrystalline fcc metal thin films with thickness of one micron and less is investigated by simulating the dynamics of discrete dislocation in a representative columnar...
Kotschenreuther, J., Delonnoy, L., Hochrainer, T., Schmidt, J., Fleischer, J., Schulze, V., ...
The Finite Element Method (FEM) is used to investigate size effects in micro-cutting of steels. For this a material routine based on a plasticity model for high speed deformation was implemented in...
Computational materials science (2003)
Im angelsächsischen Sprachraum hat sich in den vergangenen 30 Jahren im Bereich der Physik neben den klassischen Disziplinen der theoretischen Physik und der Experimentalphysik die Computational...
Tuning force fields for the simulation of large systems (2003)
Trimarchi, G., Albaret, T., Gumbsch, P., Meriani, S., Barth, V., Vita, A. De
We present some applications of empirical force fields which we have specifically constructed to describe concentration and temperature-induced 2D supramolecular self-assembly phenomena on noble...
Models for fracture toughness in the semi-brittle regime (2003)
The fracture toughness of transition metals or semiconductor crystals strongly depends on loading rate and temperature in such a way that the fracture toughness increases with temperature or with...
Modeling strain hardening the hard way (2003)
An experiment in strain hardening. The bending of a piece of metal, such as a paperclip, results in strain hardening where the deformation is largest. Subsequent backward bending leads to deformation...
Vita, A. De, Albaret, T., Gumbsch, P., Meriani, S.
Presentiamo uno studio sulla propagazione della frattura in solidi covalenti, prendendo come esempio la frattura (110)[-110] nel Silicio cristallino. Quando Si è sottoposto al carico lungo la...
Atomistic modeling of mechanical behavior (2003)
Li, J., Ngan, A.H.W., Gumbsch, P.
Atomistic modeling plays a critical role in adcancing our understanding of micro structure evolution and mechanical properties. We present progress in the theory and computation of ideal strength,...
Impulsive fracture of fused quartz and silicon crystals by nonlinear surface acoustic waves (2003)
Lehmann, G., Lomonosov, A.M., Hess, P., Gumbsch, P.
During nonlinear evolution of laser-generated surface acoustic wace (SAW) pulses the stress increases with distance of propagation, and causes fracturing of brittle materials. This effect was used to...
3D simulation of the dislocation dynamics in polycrystalline metal thin films (2003)
Blanckenhagen, B. Von, Arzt, E., Gumbsch, P.
The plastic deformation of polycrystalline fcc metal thin films with thick-ness of 1 µm and less is investigated by simulating the dynamics of discrete dislocations in a representative columnar...
Dislocation sources and the flow stress of polycrystalline thin metal films (2003)
Blanckenhagen, B. Von, Gumbsch, P., Arzt, E.
Plastic deformation of thin metal films has been investigated with the heop of a dicrete dislocation dynamics simulation. In particular, the operation of a Frank-Read source was studied in the...
Elementary mechanisms of brittle and semi-brittle fracture (2003)
Advances in our understanding of the mechanisms of brittle and semi-brittle fracture processes are often made by direct comparsion of microscopic modeling and carefully designed experiments. In this...
Crack propagation in quasicrystals (2003)
Numerical simulations have been performed on the propagation of mode-I cracks in both ordered and randomized two-dimensional decagonal model quasicrystals. In particular, the dependence on...
Brittle fracture and the brittle-to-ductile transition of tungsten (2003)
The aim of this paper is to shortly review the experimental observations and the theoretical understanding of the fracture behaviour of tungsten in the brittle and semi-brittle regime. Advances in...
Dislocation dynamics in sub-micron confinement: recent progress in Cu thin film plasticity (2002)
Dehm,G., Balk,T. J., Von Blanckenhagen,B., Gumbsch,P., Arzt,E.
Dislocation dynamics in sub-micron confinement: recent progress in Cu thin film plasticity (2002)
Dehm, G., Balk, T. J., Von Blanckenhagen, B., Gumbsch, P., Arzt, E.
Scaling relations for crack-tip plasticity (2002)
The fracture toughness of semibrittle materials such as bcc transition metals or semiconductor crystals strongly depends on loading rate and temperature. If crack-tip pasticity is considered to be...
Daß Rechner nahezu im Jahrestakt schneller, Handys immer kleiner und leichter werden, hält inzwischen jedes Kind für selbstverständlich. Doch die Schritte von einer 0,25-Mikrometer-Technologie zu...
A new interpretation of flow-stress measurements of high-purity NiAl below room temperature (2002)
The temperature and strain-rate dependence of the critical resolved shear stress (CRSS) of high-purity NiAl single crystals in soft orientation (tensile axis near [111]) was measured in tensile tests...
Dislocation dynamics in sub-micron confinement: recent progress in Cu thin films plasticity (2002)
Dehm, G., Balk, T.J., Blanckenhagen, B. Von, Gumbsch, P., Arzt, E.
Small is strong - the yield stresses of thin metall23ic films with sub-micron thickness greatly exceed bulk values. While it is clear that this effect must be due to confinement effects on...
Plasticity and an inverse brittle-to-ductile transition in strontium titanate (2001)
Gumbsch,P., Taeri-Baghbadrani,S., Brunner,D., Sigle,W., Rühle,M.
Plasticity and an inverse brittle-to-ductile transition in strontium titanate (2001)
Gumbsch,P., Taeri-Baghbadrani,S., Brunner,D., Sigle,W., Rühle,M.
Plasticity and an inverse brittle-to-ductile transition in strontium titanate (2001)
Gumbsch, P., Taeri-Baghbadrani, S., Brunner, D., Sigle, W., Rühle, M.
Plasticity and an inverse brittle-to-ductile transition in strontium titanate (2001)
Gumbsch, P., Taeri-Baghbadrani, S., Brunner, D., Sigle, W., Rühle, M.
Plasticity and an Inverse Brittle-to-Ductile Transition in Strontium Titanate (2001)
Brunner, D., Gumbsch, P., Rühle, M., Sigle, W., Taeri-Baghbadrani, S.
Fracture Studies of Tungsten Single Crystals. (1998)
Riedle, J., Gumbsch, P., Fischmeister, H. F., Glebovsky, V. G., Semenov, V. N.
This paper concerned metals in some important way and contained information about, utilized, or discussed these subjects: basic topics: experimental materials related terms: cleavage, dislocations,...
Crack propagation in quasicrystals (1998)
Mikulla, R., Stadler, J., Krul, F., Gumbsch, P.
Crack propagation is studied in a two dimensional decagonal model quasicrystal. The simulations reveal the dominating role of highly coordinated atomic environments as structure intrinsic obstacles...
Molecular Dynamics Simulations of Crack Propagation in Quasicrystals (1998)
R. Mikulla, J. Stadler, P. Gumbsch
Introduction Compression experiments on several icosahedral and decagonal quasicrystalline alloys have shown, that quasicrystals are brittle at low temperatures and become ductile without hardening...
Dislocations in quasicrystals and their interaction with cluster-like obstacles (1997)
A dislocation moving through a quasicrystal is leaving in its wake a fault denoted phason wall. For a two-dimensional model quasicrystal the disregistry energy of this phason wall is studied to...
Numerical and Experimental Study of Early Stages of the Failure of AlSi-Cast Alloys (1996)
Lippmann, N., Schmauder, S., Gumbsch, P.
No abstract available
Numerical and Experimental Study of Early Stages of the Failure of AlSi-Cast Alloys (1996)
Lippmann, N., Schmauder, S., Gumbsch, P.
No abstract available
Numerical and Experimental Study of Early Stages of the Failure of AlSi-Cast Alloys (1996)
Lippmann, N., Schmauder, S., Gumbsch, P.
No abstract available
Wolf, U., Gumbsch, P., Ichinose, H., Fischmeister, H.
The "Embedded Atom Method" (EAM) is used to study the energy and structure of different Σ3 grain boundaries defined by the inclination angle Φ. The grain boundary energy, γb, varies...
Wolf, U., Gumbsch, P., Ichinose, H., Fischmeister, H.
The "Embedded Atom Method" (EAM) is used to study the energy and structure of different Σ3 grain boundaries defined by the inclination angle Φ. The grain boundary energy, γb, varies...
Wolf, U., Gumbsch, P., Ichinose, H., Fischmeister, H.
The "Embedded Atom Method" (EAM) is used to study the energy and structure of different Σ3 grain boundaries defined by the inclination angle Φ. The grain boundary energy, γb, varies...