1. A systematic analysis of phase stability in refractory high entropy alloys utilizing linear and non-linear cluster expansion models. (November 2021) Authors: Nataraj, Chiraag; Borda, Edgar Josué Landinez; van de Walle, Axel; Samanta, Amit Journal: Acta materialia Issue: Volume 220(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A user guide for SLUSCHI: Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces. (March 2016) Authors: Hong, Qi-Jun; van de Walle, Axel Journal: Calphad Issue: Volume 52(2016) Page Start: 88 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO2 and HfO2. Issue 1 (December 2018) Authors: Hong, Qi-Jun; Ushakov, Sergey; Kapush, Denys; Benmore, Chris; Weber, Richard; van de Walle, Axel; Navrotsky, Alexandra Journal: Scientific reports Issue: Volume 8:Issue 1(2018) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Combined computational and experimental investigation of the refractory properties of La2Zr2O7. (1st February 2015) Authors: Hong, Qi-Jun; Ushakov, Sergey V.; Navrotsky, Alexandra; van de Walle, Axel Journal: Acta materialia Issue: Volume 84(2015) Page Start: 275 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Combined computational and experimental investigation of the refractory properties of La2Zr2O7. (1st February 2015) Authors: Hong, Qi-Jun; Ushakov, Sergey V.; Navrotsky, Alexandra; van de Walle, Axel Journal: Acta materialia Issue: Volume 84(2015) Page Start: 275 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Computational Assessment of the Efficacy of Oxidation-Resistant Iridium Coatings for Multiple Principal Component Rhenium Substitutes. (December 2020) Authors: Liu, Helena; Asta, Mark; van de Walle, Axel Journal: Scripta materialia Issue: Number 189(2020) Page Start: 16 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Energetics of melting of Yb2O3 and Lu2O3 from drop and catch calorimetry and first principles computations. (May 2019) Authors: Fyhrie, Matthew; Hong, Qi-Jun; Kapush, Denys; Ushakov, Sergey V.; Liu, Helena; van de Walle, Axel; Navrotsky, Alexandra Journal: Journal of chemical thermodynamics Issue: Volume 132(2019) Page Start: 405 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Equation of state of solid, liquid and gaseous tantalum from first principles. (December 2015) Authors: Miljacic, Ljubomir; Demers, Steven; Hong, Qi-Jun; van de Walle, Axel Journal: Calphad Issue: Volume 51(2015) Page Start: 133 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Equation of state of solid, liquid and gaseous tantalum from first principles. (December 2015) Authors: Miljacic, Ljubomir; Demers, Steven; Hong, Qi-Jun; van de Walle, Axel Journal: Calphad Issue: Volume 51(2015) Page Start: 133 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. First-principles calculations of thermal properties of the mechanically unstable phases of the PtTi and NiTi shape memory alloys. (1st April 2018) Authors: Kadkhodaei, Sara; van de Walle, Axel Journal: Acta materialia Issue: Volume 147(2018) Page Start: 296 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗