Molecular dynamics study of reaction pathways in an Al-coated Ni nanoparticle

- Evteev, Alexander V., Levchenko, Elena V., Hagel, Franziska A., Belova, Irina V., Murch, Graeme E.

Optical properties of anatase and rutile titanium dioxide: ab initio calculations for pure and anion-doped material

- Hossain, Faruque M., Sheppard, Leigh, Nowotny, Janusz, Murch, Graeme E.

Finite difference solution of the diffusion equation and calculation of the interdiffusion coefficient using the Sauer-Freise and Hall methods in binary systems

- Ahmed, Tanvir, Belova, Irina V., Murch, Graeme E.

Molecular dynamics simulation of diffusion in a (110) B2-NiAl film

- Evteev, Alexander V., Levchenko, Elena V., Belova, Irina V., Murch, Graeme E.

Mechanical and microstructural characterization of an AZ91-activated carbon syntactic foam

- Movahedi, Nima, Taherishargh, Mehdi, Belova, Irina V., Murch, Graeme E., Fiedler, Thomas

Ionic and thermal conductivity of pure and doped ceria by molecular dynamics

- Grieshammer, Steffen, Momenzadeh, Leila, Belova, Irina V., Murch, Graeme E.

Interdiffusion in ionic compounds

- Belova, Irina V., Murch, Graeme E.

Thermodiffusion and ion transport in doped ceria by molecular dynamics simulations

- Grieshammer, Steffen, Belova, Irina V., Murch, Graeme E.

Analysis of diffusion in high entropy alloys

- Paul, Tumpa R., Belova, Irina V., Murch, Graeme E.

A structural model for surface-enhanced stabilization in some metallic glass formers

- Levchenko, Elena V., Evteev, Alexander V., Yavari, Alain R., Louzguine-Luzgin, Dmitri V., Belova, Irina V., Murch, Graeme E.

Ab initio calculations of the electronic structure and bonding characteristics of LaB₆

- Hossain, Faruque M., Riley, Daniel P., Murch, Graeme E.

Computer simulation of thermodynamic factors in Ni-Al and Cu-Ag liquid alloys

- Belova, Irina V., Ahmed, Tanvir, Sarder, Ujjal, Yi Wang, William, Kozubski, Rafal, Liu, Zi-Kui, Holland-Moritz, Dirk, Meyer, Andreas, Murch, Graeme E.

Lattice Monte Carlo analyses of thermal diffusion in laminar flow

- Fiedler, Thomas, Belova, Irina V., Murch, Graeme E.

Activation volume dominated diffusivity of Ni50Al50 melt under extreme conditions

- Tang, Jian, Xue, Xiangyi, Yi Wang, William, Lin, Deye, Ahmed, Tanvir, Wang, Jun, Tang, Bin, Shang, Shunli, Belova, Irina V., Song, Heifeng, Murch, Graeme E., Li, Jinshan, Liu, Zi-Kui

Electronic, optical and bonding properties of CaCO₃ calcite

- Hossain, Faruque M., Murch, Graeme E., Belova, Irina V., Turner, Brett D.

Cellular and porous materials: thermal properties simulation and prediction

- Öchsner, Andreas, Murch, Graeme E., de Lemos, Marcelo J. S.

Effect of heat treatment on the compressive behavior of zinc alloy ZA27 syntactic foam

- Movahedi, Nima, Murch, Graeme E., Belova, Irina V., Fiedler, Thomas

Phonon thermal conductivity of f.c.c. Cu by molecular dynamics simulation

- Momenzadeh, Leila, Evteev, Alexander V., Levchenko, Elena V., Belova, Irina V., Murch, Graeme E., Sohn, Yongho

Relationships between chemical and tracer diffusion coefficients in strongly ionic crystals

- Belova, Irina V., Murch, Graeme E.

Molecular dynamics simulation of surface segregation in a (110) B2-NiAl thin film

- Levchenko, Elena V., Evteev, Alexander V., Kozubski, Rafal, Belova, Irina V., Murch, Graeme E.