Screened empirical bond-order potentials for Si-C

Bond-order potentials with split-charge equilibration: Application to C-, H-, and O-containing systems

(2012) M. Todd Knippenberg et al.   JOURNAL OF CHEMICAL PHYSICS

Reactive Bond-Order Potential for Si-, C-, and H-Containing Materials

(2012) J. David Schall et al.   Journal of Physical Chemistry C

Bond order potentials for fracture, wear, and plasticity

(2012) Lars Pastewka et al.   MRS BULLETIN

Magnetic Bond-Order Potential for Iron

(2011) M. Mrovec et al.   PHYSICAL REVIEW LETTERS

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Anisotropic mechanical amorphization drives wear in diamond

(2010) Lars Pastewka et al.   NATURE MATERIALS

Second-generation charge-optimized many-body potential forSi/SiO2and amorphous silica

(2010) Tzu-Ray Shan et al.   PHYSICAL REVIEW B

Atomically Smooth Stress-Corrosion Cleavage of a Hydrogen-Implanted Crystal

(2010) Gianpietro Moras et al.   PHYSICAL REVIEW LETTERS

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

(2010) Albert P. Bartók et al.   PHYSICAL REVIEW LETTERS

Atomistic Insights into the Running-in, Lubrication, and Failure of Hydrogenated Diamond-Like Carbon Coatings

(2010) Lars Pastewka et al.   TRIBOLOGY LETTERS

The running-in of amorphous hydrocarbon tribocoatings: a comparison between experiment and molecular dynamics simulations

(2009) L. Pastewka et al.   International Journal of Materials Research

Development of empirical bond-order-type interatomic potential for amorphous carbon structures

(2009) T. Kumagai et al.   JOURNAL OF APPLIED PHYSICS

Effects of Adhesion and Transfer Film Formation on the Tribology of Self-Mated DLC Contacts

(2009) J. David Schall et al.   Journal of Physical Chemistry C

Simulations of cementite: An analytical potential for the Fe-C system

(2009) K. O. E. Henriksson et al.   PHYSICAL REVIEW B

Phase behavior and kinetics of a new bond-order potential for silicon

(2008) Patrick K. Schelling   COMPUTATIONAL MATERIALS SCIENCE

Elucidating atomic-scale friction using molecular dynamics and specialized analysis techniques

(2008) Judith A Harrison et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Low-speed fracture instabilities in a brittle crystal

(2008) J. R. Kermode et al.   NATURE

Describing bond-breaking processes by reactive potentials: Importance of an environment-dependent interaction range

(2008) Lars Pastewka et al.   PHYSICAL REVIEW B