Search Results - "Friak, M."

The effect of spin-polarization, atomic ordering and charge transfer on the stability of CoCrNi medium entropy alloy by Papež, P., Zelený, M., Friák, M., Dlouhý, I.

“…The aim of this paper is to determine the effects of spin-polarization and atomic ordering on the phase stability of the medium entropy alloy CoCrNi by…”
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Theory-guided bottom-up design of β-titanium alloys as biomaterials based on first principles calculations: Theory and experiments by Raabe, D., Sander, B., Friák, M., Ma, D., Neugebauer, J.

“…In this study we present a new strategy for the theory-guided bottom up design of β-Ti alloys for biomedical applications using a quantum mechanical approach…”
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Magnetization and exchange-bias effect in powders of the Heusler Ni2MnSn-based alloys by Kamarád, J., Kaštil, J., Friák, M., Turek, I., Kubíčková, L., Kaman, O., Schneeweiss, O., Arnold, Z.

“…investigation of properties of powders of the Heusler Ni2MnSn-based alloys revealed the extreme suppression of both, the magnetization and the exchange-bias…”
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Phase separation in Fe-Ti-Al alloy – Structural, magnetic, and Mössbauer study by Jiraskova, Y., Pizurova, N., Titov, A., Janickovic, D., Friak, M.

“…[Display omitted] •Fe78Al22 and Fe71Al22Ti7 alloys are prepared by arc melting.•Structural, macroscopic and microscopic magnetic properties are…”
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Magneto-structural correlations in Fe-25 at%Al influenced by substitution of Fe by Co and by thermal treatment by Jiraskova, Y., Pizurova, N., Bursik, J., Friak, M., Cizek, J., Vlasak, T., Cegan, T., Nikodym, M., Lunacek, J.

“…The scanning electron microscopy, X-ray diffraction, positron annihilation spectroscopy, Mössbauer spectrometry, and measurements of magnetic characteristics…”
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Ab initio study of the bcc-hcp transformation in iron by Friák, M., Šob, M.

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The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide by Sob, M, Friak, M

“…Tensile test in MoSi 2 with C11 b structure along the [001] direction is simulated from first principles using the full-potential linearized augmented plane…”
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Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties by Sandlöbes, S., Pei, Z., Friák, M., Zhu, L.-F., Wang, F., Zaefferer, S., Raabe, D., Neugebauer, J.

“…The I1 intrinsic stacking fault energy (I1 SFE) serves as an alloy design parameter for ductilizing Mg alloys. In view of this effect we have conducted…”
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The relation between ductility and stacking fault energies in Mg and Mg–Y alloys by Sandlöbes, S., Friák, M., Zaefferer, S., Dick, A., Yi, S., Letzig, D., Pei, Z., Zhu, L.-F., Neugebauer, J., Raabe, D.

“…The underlying mechanisms that are responsible for the improved room-temperature ductility in Mg–Y alloys compared to pure Mg are investigated by transmission…”
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A rare-earth free magnesium alloy with improved intrinsic ductility by Sandlöbes, S., Friák, M., Korte-Kerzel, S., Pei, Z., Neugebauer, J., Raabe, D.

“…Metals are the backbone of manufacturing owing to their strength and formability. Compared to polymers they have high mass density. There is, however, one…”
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Multiscale simulation of polycrystal mechanics of textured β-Ti alloys using ab initio and crystal-based finite element methods by Ma, D., Friák, M., Neugebauer, J., Raabe, D., Roters, F.

“…Crystal‐based finite element methods (FEM) are versatile continuum approaches for predicting mechanical properties and deformation‐induced crystallographic…”
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A comparison of polycrystalline elastic properties computed by analytic homogenization schemes and FEM by Counts, W. A., Friák, M., Battaile, C. C., Raabe, D., Neugebauer, J.

“…Body‐center‐cubic (BCC) magnesium–lithium alloys are a promising light‐weight structural material. As a first step in a theoretically guided materials design…”
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Ab initio and atomistic study of generalized stacking fault energies in Mg and Mg-Y alloys by Pei, Z, Zhu, L-F, Friák, M, Sandlöbes, S, von Pezold, J, Sheng, H W, Race, C P, Zaefferer, S, Svendsen, B, Raabe, D, Neugebauer, J

“…Magnesium-yttrium alloys show significantly improved room temperature ductility when compared with pure Mg. We study this interesting phenomenon theoretically…”
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Atomistic calculations on interfaces: Bridging the length and time scales: A tutorial review by Lymperakis, L., Friák, M., Neugebauer, J.

“…Phase field simulations suitable to describe interfacial phenomena at the mesoscale require as input parameters accurate interfacial energies as well as the…”
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DAMASK – The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale by Roters, F., Diehl, M., Shanthraj, P., Eisenlohr, P., Reuber, C., Wong, S.L., Maiti, T., Ebrahimi, A., Hochrainer, T., Fabritius, H.-O., Nikolov, S., Friák, M., Fujita, N., Grilli, N., Janssens, K.G.F., Jia, N., Kok, P.J.J., Ma, D., Meier, F., Werner, E., Stricker, M., Weygand, D., Raabe, D.

“…[Display omitted] Crystal Plasticity (CP) modeling is a powerful and well established computational materials science tool to investigate mechanical…”
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Pressure study of magnetism in off-stoichiometric Ni2MnSn-based alloys by Kamarád, J., Kaštil, J., Friák, M., Mazalová, M., Schneeweiss, O., Míšek, M., Kaman, O., Arnold, Z.

“…•Divergent values of pressure effects on magnetic properties of the off-stoichiometric Ni-Mn-Sn were observed.•Pressure effects confirm recent quantum…”
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Using ab initio calculations in designing bcc Mg–Li alloys for ultra-lightweight applications by Counts, W.A., Friák, M., Raabe, D., Neugebauer, J.

“…Ab initio calculations are becoming increasingly useful to engineers interested in designing new alloys, because these calculations are able to accurately…”
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Multi-phase ELAStic Aggregates (MELASA) software tool for modeling anisotropic elastic properties of lamellar composites by Friák, M., Lago, D., Koutná, N., Holec, D., Rebok, T., Šob, M.

“…We introduce a new web-based tool called MELASA (Multi-phase ELAStic Aggregates), open-access available at https://melasa.cerit-sc.cz, for computations and…”
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Effect of high pressure on magnetic properties of CrMnFeCoNi high entropy alloy by Kamarád, J., Friák, M., Kaštil, J., Schneeweiss, O., Šob, M., Dlouhý, A.

“…The temperature and magnetic field dependences of magnetization of the Cantor CrMnFeCoNi alloy were studied at ambient and high (up to 1 GPa) external…”
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Synergy of atom-probe structural data and quantum-mechanical calculations in a theory-guided design of extreme-stiffness superlattices containing metastable phases by Friák, M, Tytko, D, Holec, D, Choi, P-P, Eisenlohr, P, Raabe, D, Neugebauer, J

“…A theory-guided materials design of nano-scaled superlattices containing metastable phases is critically important for future development of advanced lamellar…”
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