The impact of carbon and oxygen in alpha-titanium: ab initio study of solution enthalpies and grain boundary segregation von Aksyonov, D A, Hickel, T, Neugebauer, J, Lipnitskii, A G

Volltext

Evolutionary search for new compounds in the Ti–Si system von Poletaev, D.O., Aksyonov, D.A., Lipnitskii, A.G.

Volltext

Interaction of Ti and Cr atoms with point defects in bcc vanadium: A DFT study von Boev, A.O., Aksyonov, D.A., Kartamyshev, A.I., Maksimenko, V.N., Nelasov, I.V., Lipnitskii, A.G.

Volltext

Hydrogen solubility in hcp titanium with the account of vacancy complexes and hydrides: A DFT study von Poletaev, D.O., Aksyonov, D.A., Vo, Dat Duy, Lipnitskii, A.G.

Volltext

Ab initio study of Ti–C precipitates in hcp titanium: Formation energies, elastic moduli and theoretical diffraction patterns von Aksyonov, D.A., Lipnitskii, A.G., Kolobov, Yu.R.

Volltext

Grain boundary segregation of C, N and O in hexagonal close-packed titanium from first principles von Aksyonov, D A, Lipnitskii, A G, Kolobov, Yu R

Volltext

Computational insights into ionic conductivity of transition metal electrode materials for metal-ion batteries - A review von Aksyonov, D.A., Boev, A.O., Fedotov, S.S., Abakumov, A.M.

Volltext

Understanding migration barriers for monovalent ion insertion in transition metal oxide and phosphate based cathode materials: A DFT study von Aksyonov, D.A., Fedotov, S.S., Stevenson, K.J., Zhugayevych, A.

Volltext

The unique hybrid precipitate in a peak-aged Al-Cu-Mg-Ag alloy von Gazizov, M.R., Boev, A.O., Marioara, C.D., Andersen, S.J., Holmestad, R., Kaibyshev, R.O., Aksyonov, D.A., Krasnikov, V.S.

Volltext

Weak segregation and accelerated diffusion of Li at twin boundaries in Cu from DFT: Implications for current collectors in Li-ion batteries von Kartamyshev, A.I., Poletaev, D.O., Boev, A.O., Aksyonov, D.A.

Volltext

Solubility and grain boundary segregation of iron in hcp titanium: A computational study von Aksyonov, D.A., Lipnitskii, A.G.

Volltext

The role of antisite defect pairs in surface reconstruction of layered AMO2 oxides: A DFT+U study von Boev, A.O., Fedotov, S.S., Abakumov, A.M., Stevenson, K.J., Henkelman, G., Aksyonov, D.A.

Volltext

High-throughput computational screening of cathode materials for Li-O2 battery von Boev, A.O., Fedotov, S.S., Stevenson, K.J., Aksyonov, D.A.

Volltext

Precipitate/matrix incompatibilities related to the {111}Al Ω plates in an Al-Cu-Mg-Ag alloy von Gazizov, M.R., Boev, A.O., Marioara, C.D., Holmestad, R., Aksyonov, D.A., Gazizova, M.Yu, Kaibyshev, R.O.

Volltext

Low-temperature synthesis, crystal structure, and ionic mobility in KTiOPO4-structured RbVOPO4 von Samarin, A.Sh, Dembitskiy, A.D., Ivanov, A.V., Tashlanov, M.Yu, Golubnichiy, A.A., Trussov, I.A., Aksyonov, D.A., Abakumov, A.M., Fedotov, S.S.

Volltext

Self-point defect trapping responsible for radiation swelling reduction in V–Ti alloys von Boev, A.O., Nelasov, I.V., Lipnitskii, A.G., Kartamyshev, A.I., Aksyonov, D.A.

Volltext

Origin of surface segregation in LiCoO 2 : A DFT + U study von Boev, A. O., Arsentev, M. Yu, Fedotov, S. S., Abakumov, A. M., Aksyonov, D. A.

Volltext

Ab initio-based prediction and TEM study of silicide precipitation in titanium von Poletaev, D.O., Lipnitskii, A.G., Kartamyshev, A.I., Aksyonov, D.A., Tkachev, E.S., Manokhin, S.S., Ivanov, M.B., Kolobov, Yu. R.

Volltext

Grain boundary segregation of C, N and O in hcp titanium from first-principles von Aksyonov, D A, Lipnitskii, A G, Kolobov, Yu R

Volltext

Ab initio-based prediction and TEM study of silicide precipitation in titanium von POLETAEV, D. O, LIPNITSKII, A. G, KARTAMYSHEV, A. I, AKSYONOV, D. A, TKACHEV, E. S, MANOKHIN, S. S, IVANOV, M. B, KOLOBOV, Yu. R

Volltext