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Items: 16

1.

An Ab Initio Study of Vacancies in Disordered Magnetic Systems: A Case Study of Fe-Rich Fe-Al Phases.

Miháliková I, Friák M, Koutná N, Holec D, Šob M.

Materials (Basel). 2019 May 2;12(9). pii: E1430. doi: 10.3390/ma12091430.

2.

Impact of Nano-Scale Distribution of Atoms on Electronic and Magnetic Properties of Phases in Fe-Al Nanocomposites: An Ab Initio Study.

Miháliková I, Friák M, Jirásková Y, Holec D, Koutná N, Šob M.

Nanomaterials (Basel). 2018 Dec 16;8(12). pii: E1059. doi: 10.3390/nano8121059.

3.

Quantum-Mechanical Study of Nanocomposites with Low and Ultra-Low Interface Energies.

Friák M, Holec D, Šob M.

Nanomaterials (Basel). 2018 Dec 15;8(12). pii: E1057. doi: 10.3390/nano8121057.

4.

An Ab Initio Study of Pressure-Induced Reversal of Elastically Stiff and Soft Directions in YN and ScN and Its Effect in Nanocomposites Containing These Nitrides.

Friák M, Kroupa P, Holec D, Šob M.

Nanomaterials (Basel). 2018 Dec 14;8(12). pii: E1049. doi: 10.3390/nano8121049.

5.

An Ab Initio Study of Connections between Tensorial Elastic Properties and Chemical Bonds in Σ5(210) Grain Boundaries in Ni₃Si.

Friák M, Zelený M, Všianská M, Holec D, Šob M.

Materials (Basel). 2018 Nov 13;11(11). pii: E2263. doi: 10.3390/ma11112263.

6.

Strength and Brittleness of Interfaces in Fe-Al Superalloy Nanocomposites under Multiaxial Loading: An ab initio and Atomistic Study.

Šesták P, Friák M, Holec D, Všianská M, Šob M.

Nanomaterials (Basel). 2018 Oct 24;8(11). pii: E873. doi: 10.3390/nano8110873.

7.

Origin of the Low Magnetic Moment in Fe₂AlTi: An Ab Initio Study.

Friák M, Slávik A, Miháliková I, Holec D, Všianská M, Šob M, Palm M, Neugebauer J.

Materials (Basel). 2018 Sep 14;11(9). pii: E1732. doi: 10.3390/ma11091732.

8.

An Ab Initio Study of Thermodynamic and Mechanical Stability of Heusler-Based Fe₂AlCo Polymorphs.

Friák M, Oweisová S, Pavlů J, Holec D, Šob M.

Materials (Basel). 2018 Aug 27;11(9). pii: E1543. doi: 10.3390/ma11091543.

9.

Tensorial elastic properties and stability of interface states associated with Σ5(210) grain boundaries in Ni3(Al,Si).

Friák M, Všianská M, Holec D, Zelený M, Šob M.

Sci Technol Adv Mater. 2017 May 2;18(1):273-282. doi: 10.1080/14686996.2017.1312519. eCollection 2017.

10.

Functional adaptation of crustacean exoskeletal elements through structural and compositional diversity: a combined experimental and theoretical study.

Fabritius HO, Ziegler A, Friák M, Nikolov S, Huber J, Seidl BH, Ruangchai S, Alagboso FI, Karsten S, Lu J, Janus AM, Petrov M, Zhu LF, Hemzalová P, Hild S, Raabe D, Neugebauer J.

Bioinspir Biomim. 2016 Sep 9;11(5):055006. doi: 10.1088/1748-3190/11/5/055006.

PMID:
27609556
11.

Ab initio identified design principles of solid-solution strengthening in Al.

Ma D, Friák M, von Pezold J, Raabe D, Neugebauer J.

Sci Technol Adv Mater. 2013 Mar 21;14(2):025001. eCollection 2013 Apr.

12.

Ab initio based conformational study of the crystalline α-chitin.

Petrov M, Lymperakis L, Friák M, Neugebauer J.

Biopolymers. 2013 Jan;99(1):22-34. doi: 10.1002/bip.22131.

PMID:
23097227
13.

Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite.

Elstnerová P, Friák M, Fabritius HO, Lymperakis L, Hickel T, Petrov M, Nikolov S, Raabe D, Ziegler A, Hild S, Neugebauer J.

Acta Biomater. 2010 Dec;6(12):4506-12. doi: 10.1016/j.actbio.2010.07.015. Epub 2010 Aug 2.

PMID:
20650336
14.

Revealing the design principles of high-performance biological composites using ab initio and multiscale simulations: the example of lobster cuticle.

Nikolov S, Petrov M, Lymperakis L, Friák M, Sachs C, Fabritius HO, Raabe D, Neugebauer J.

Adv Mater. 2010 Jan 26;22(4):519-26. doi: 10.1002/adma.200902019. No abstract available.

PMID:
20217746
15.

Theory-guided design of Ti-based binaries for human implants (abstract only).

Friak M, Sander B, Raabe D, Neugebauer J.

J Phys Condens Matter. 2008 Feb 13;20(6):064221. doi: 10.1088/0953-8984/20/6/064221. Epub 2008 Jan 24.

PMID:
21693883
16.

Why is polonium simple cubic and so highly anisotropic?

Legut D, Friák M, Sob M.

Phys Rev Lett. 2007 Jul 6;99(1):016402. Epub 2007 Jul 6.

PMID:
17678171

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