Ab initio based study of finite-temperature structural, elastic and thermodynamic properties of FeTi von Zhu, L.-F., Friák, M., Udyansky, A., Ma, D., Schlieter, A., Kühn, U., Eckert, J., Neugebauer, J.

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Competition between order and phase separation in Au-Ni von REICHERT, H, SCHÖPS, A, RAMSTEINER, I. B, BUGAEV, V. N, SHCHYGLO, O, UDYANSKY, A, DOSCH, H, ASTA, M, DRAUTZ, R, HONKIMÄKI, V

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Determining the Elasticity of Materials Employing Quantum-mechanical Approaches: From the Electronic Ground State to the Limits of Materials Stability von Friák, M., Hickel, T., Körmann, F., Udyansky, A., Dick, A., von Pezold, J., Ma, D., Kim, O., Counts, W.A., Šob, M., Gebhardt, T., Music, D., Schneider, J., Raabe, D., Neugebauer, J.

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Omega-like diffuse X-ray scattering in Ti–V caused by static lattice distortions von Ramsteiner, I.B., Shchyglo, O., Mezger, M., Udyansky, A., Bugaev, V., Schöder, S., Reichert, H., Dosch, H.

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Theory of size mismatched alloy systems: many-body Kanzaki forces von Shchyglo, O, Díaz-Ortiz, A, Udyansky, A, Bugaev, V N, Reichert, H, Dosch, H, Drautz, R

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Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications von Friák, M., Hickel, T., Grabowski, B., Lymperakis, L., Udyansky, A., Dick, A., Ma, D., Roters, F., Zhu, L. -F., Schlieter, A., Kühn, U., Ebrahimi, Z., Lebensohn, R. A., Holec, D., Eckert, J., Emmerich, H., Raabe, D., Neugebauer, J.

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Topological k-space refinement of the configurational energy of alloys von SHCHYGLO, O, BUGAEY, V. N, DRAUTZ, R, UDYANSKY, A, REICHERT, H, DOSCH, H

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Interplay between long-range elastic and short-range chemical interactions in Fe-C martensite formation von Udyansky, A., von Pezold, J., Bugaev, V. N., Friák, M., Neugebauer, J.

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Analytical correlation correction of the chemical potential of solid solutions von UDYANSKY, A, BUGAEV, V. N, SCHWEIKA, W, SHCHYGLO, O, REICHEN, H, DOSCH, H

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Temperature and concentration dependence of the effective pair interaction parameters in Ni-Pd from high-energy x-ray diffuse scattering von Mezger, M., Reichert, H., Ramsteiner, I. B., Udyansky, A., Shchyglo, O., Bugaev, V. N., Dosch, H., Honkimäki, V.

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Orientational ordering of interstitial atoms and martensite formation in dilute Fe-based solid solutions von Udyansky, A., von Pezold, J., Dick, A., Neugebauer, J.

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Kinetic correlation effects in binary alloys von Udyansky, A., Bugaev, V. N., Shchyglo, O., Reichert, H., Dosch, H.

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Correlation correction algorithm for binary systems von Bugaev, V. N., Udyansky, A., Shchyglo, O., Reichert, H., Dosch, H.

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q -space configurational energy and short-range order in alloys with atomic size mismatch von Bugaev, V. N., Reichert, H., Shchyglo, O., Udyansky, A., Sikula, Y., Dosch, H.

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Reciprocal space statistical thermodynamics of inhomogeneous disordered systems von Rasshchupkyna, M., Bugaev, V., Udyansky, A., Castro-Colin, M., Wochner, P.

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Ab initio study of thermodynamic, electronic, magnetic, structural, and elastic properties of Ni 4 N allotropes von Hemzalová, P., Friák, M., Šob, M., Ma, D., Udyansky, A., Raabe, D., Neugebauer, J.

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Ab initio study of thermodynamic, electronic, magnetic, structural, and elastic properties of Ni sub(4) N allotropes von Hemzalova, P, Friak, M, Sob, M, Ma, D, Udyansky, A, Raabe, D, Neugebauer, J

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Understanding H Induced Failure Mechanisms in Metallic Alloys: The Role of Attractive H-H Interactions in Nano-Precipitate Formation von Von Pezold, Johann, Udyansky, Alexander, Aydin, Ugur, Hickel, Tilmann, Neugebauer, Joerg

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Reciprocal-Space Approach for Atomic Interactions and Configuration Correlations in Inhomogeneous Systems von Rasshchupkyna, Mariya, Bugaev, Volodymyr, Udyansky, Alexander, Castro-Colin, Miguel, Wochner, Peter

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Thermodynamic and Elastic Properties of registered -Fe from First-Principles Calculations von Friak, Martin, Koermann, Fritz, Dick, Alexey, Udyansky, Alexander, Hickel, Tilmann, Holec, David, Neugebauer, Joerg

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