Zeitschriftenartikel (533)
461.
Zeitschriftenartikel
82 (2), S. 86 - 100 (2011)
Determining the elasticity of materials employing quantum mechanical approaches: From the electronic ground state to the limits of materials stability. Steel Research International 462.
Zeitschriftenartikel
109, S. 083511-1 - 083511-6 (2011)
Electronic structure of 1/6 <20 2¯3> partial dislocations in wurtzite GaN. Journal of Applied Physics 463.
Zeitschriftenartikel
4, S. 129 - 145 (2011)
Robustness and optimal use of design principles of arthropod exoskeletons studied by ab initio-based multiscale simulations. Journal of the Mechanical Behavior of Biomedical Materials 464.
Zeitschriftenartikel
56 (4), S. 1694 - 1700 (2011)
In situ scanning tunneling microscopy study of selective dissolution of Au3Cu and Cu3Au (001). Electrochimica Acta 465.
Zeitschriftenartikel
19, S. 327 - 335 (2011)
Anisotropic mechanical behavior of ultrafine eutectic TiFe cast under non-equilibrium conditions. Intermetallics 466.
Zeitschriftenartikel
83 (18), S. 184112-1 - 184112-11 (2011)
Orientational ordering of interstitial atoms and martensite formation in dilute Fe-based solid solutions. Physical Review B 467.
Zeitschriftenartikel
12 (12), S. 1198 - 1205 (2010)
Using ab initio calculations in designing bcc MgLi–X alloys for ultra-lightweight applications. Advanced Engineering Materials 468.
Zeitschriftenartikel
82 (22), S. 224104-1 - 224104-11 (2010)
First-principles study of the thermodynamics of hydrogen-vacancy interaction in fcc iron. Physical Review B 469.
Zeitschriftenartikel
6 (12), S. 4506 - 4512 (2010)
Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. Acta Biomaterialia 470.
Zeitschriftenartikel
82 (16), 165418 (2010)
Hydrogen Adsorption on polar ZnO(0001)–Zn: Extending equilibrium surface phase diagrams to kinetically stabilized structures. Physical Review B 471.
Zeitschriftenartikel
12 (7), S. 572 - 576 (2010)
Ab Initio Guided Design of bcc Ternary Mg–Li–X (X=Ca,Al,Si,Zn,Cu) Alloys for Ultra-Lightweight Applications. Advanced Engineering Materials 472.
Zeitschriftenartikel
18 (7), S. 1360 - 1364 (2010)
L21-ordered Fe–Al–Ti alloys. Intermetallics 473.
Zeitschriftenartikel
81, 224109, S. 1 - 10 (2010)
Native and hydrogen-containing point defects in Mg3N2: A density functional theory study. Physical Review B 474.
Zeitschriftenartikel
18, S. 1310 - 1315 (2010)
Combined ab initio and experimental study of structural and elastic properties of Fe3Al-based ternaries. Intermetallics 475.
Zeitschriftenartikel
18, S. 1316 - 1321 (2010)
Ab initio study of the anomalous volume-composition dependence. Intermetallics 476.
Zeitschriftenartikel
81 (13), S. 134425 - 134434 (2010)
Rescaled Monte Carlo approach for magnetic systems: Ab initio thermodynamics of bcc iron. Physical Review B 477.
Zeitschriftenartikel
181 (4), S. 765 - 771 (2010)
Plane-wave implementation of the real-space k.p formalism and continuum elasticity theory. Computer Physics Communications 478.
Zeitschriftenartikel
Ab initio study on the solubility and kinetics of hydrogen in austenitic high Mn steels. (eingereicht)
479.
Zeitschriftenartikel
81 (9), S. 094203-1 - 094203-7 (2010)
Generation and performance of special quasirandom structures for studying the elastic properties of random alloys: Application to Al–Ti. Physical Review B 480.
Zeitschriftenartikel
22 (4), S. 519 - 526 (2010)
Revealing the Design Principles of High-Performance Biological Composites Using Ab initio and Multiscale Simulations: The Example of Lobster Cuticle. Advanced Materials