Publications

• 2024

  ČERNÝ, M.; ŠESTÁK, P. Segregation of Phosphorus and Silicon at the Grain Boundary in Bcc Iron via Machine-Learned Force Fields. Crystals, 2024, vol. 14, no. 1, ISSN: 2073-4352.
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• 2023

  HECZKO, M.; ZELENÝ, M.; ŠESTÁK, P.; OSTAPOVETS, A.; KRUML, T. Twinning in tetragonal intermetallics – ab initio study. Proceedings Intermetallics 2023. Jena, Germany: Conventus Congressmanagement & Marketing GmbH, 2023. p. 61-62. ISBN: 978-3-948023-33-1.
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• 2022

  ČERNÝ, M.; ŠESTÁK, P.; VŠIANSKÁ, M.; LEJČEK, P. On Agreement of Experimental Data and Calculated Results in Grain Boundary Segregation. Metals, 2022, vol. 12, no. 8, p. 1389 ( p.)ISSN: 2075-4701.
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  Liu, J.; Sestak, P. ; Zhang, Z. ; Wu, J. Brittle and ductile behavior in monolayer MoS2. Materials Today Nano, 2022, vol. 20, no. 100245, ISSN: 2588-8420.
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  ZELENÝ, M.; OSTAPOVETS, A.; FRIDRICH, L.; ŠESTÁK, P.; HECZKO, M.; KRUML, T. On mechanical twinning in tetragonal lattice. PHILOSOPHICAL MAGAZINE, 2022, vol. 103, no. 2, p. 119-136. ISSN: 1478-6443.
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• 2021

  ŠESTÁK, P.; FRIÁK, M.; ŠOB, M. The Effect of Hydrogen on the Stress-Strain Response in Fe3Al: An ab initio Molecular-Dynamics Study. Materials, 2021, vol. 14, no. 15, p. 1-14. ISSN: 1996-1944.
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  Zhuo Y., Xia Z., Yuan Qi, Sumigawa T., Wu J., Šesták P., Lu Y., Håkonsen V., Li T., Wang F., Chen W., Xiao S., Long R., Kitamura T., Li L., He J., Zhang Z. Simultaneously Toughening and Stiffening Elastomers with Octuple Hydrogen Bonding. ADVANCED MATERIALS, 2021, vol. 17, no. 33, p. 1-9. ISSN: 1521-4095.
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• 2020

  ŠESTÁK, P.; ČERNÝ, M.; ZHANG, Z.; POKLUDA, J. Extraordinary Response of H-Charged and H-Free Coherent Grain Boundaries in Nickel to Multiaxial Loading. Crystals, 2020, vol. 10, no. 7, p. 1-12. ISSN: 2073-4352.
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  KOTOUL, M.; SKALKA, P.; PROFANT, T.; ŘEHÁK, P.; ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. A novel multiscale approach to brittle fracture of nano/micro-sized components. Fatigue & Fracture of Engineering Materials & Structures, 2020, vol. 43, no. 8, p. 1630-1645. ISSN: 8756-758X.
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• 2019

  ČERNÝ, M.; ŠESTÁK, P.; ŘEHÁK, P.; VŠIANSKÁ, M.; ŠOB, M. Atomistic approaches to cleavage of interfaces. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2019, vol. 27, no. 3, p. 035007-1 (035007-20 p.)ISSN: 0965-0393.
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  KOTOUL, M.; SKALKA, P.; PROFANT, T.; FRIÁK, M.; ŘEHÁK, P.; ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. Ab Initio Aided Strain Gradient Elasticity Theory in Prediction of Nanocomponent Fracture. Mechanics of Materials, 2019, vol. 136, no. 9, p. 103074-1 (103074-10 p.)ISSN: 0167-6636.
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• 2018

  KOTOUL, M.; SKALKA, P.; PROFANT, T.; ŘEHÁK, P.; ŠESTÁK, P.; FRIÁK, M. Prediction of the Critical Energy Release Rate of Nanostructured Solids using the Laplacian Version of the Strain Gradient Elasticity Theory. In Advances in Fracture and Damage Mechanics XVII. Key Engineering Materials (CD). Scientific Net, 2018. p. 447-452. ISSN: 1662-9809.
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  ŠESTÁK, P.; FRIÁK, M.; HOLEC, D.; VŠIANSKÁ, M.; ŠOB, M. Strength and Brittleness of Interfaces in Fe-Al Superalloy Nanocomposites under Multiaxial Loading: An ab initio and Atomistic Study. Nanomaterials, 2018, vol. 8, no. 11, p. 873-872. ISSN: 2079-4991.
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• 2017

  ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. Energetics of NiTi allotropes under uniaxial compression. SCRIPTA MATERIALIA, 2017, vol. 133, no. 5, p. 92-95. ISSN: 1359-6462.
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• 2016

  ŠESTÁK, P.; ČERNÝ, M.; HE, J.; ZHANG, Z.; POKLUDA, J. Multiaxial stress-strain response and displacive transformations in NiTi alloy from first principles. Acta materialia, 2016, vol. 109, no. 5, p. 223-229. ISSN: 1359-6454.
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  ČERNÝ, M.; ŠESTÁK, P.; POKLUDA, J. Stress coupling effect on ideal shear strength: tungsten as a case study. Advances in Materials Science and Engineering, 2016, vol. 2016, no. 12, p. 5317985-1 (5317985-5 p.)ISSN: 1687-8434.
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  SLÁMEČKA, K.; ŠESTÁK, P.; VOJTEK, T.; KIANICOVÁ, M.; HORNÍKOVÁ, J.; ŠANDERA, P.; POKLUDA, J. A fractographic study of bending/torsion fatigue failure in metallic materials with protective surface layers. Advances in Materials Science and Engineering, 2016, vol. 2016, no. 1, p. 1-6. ISSN: 1687-8434.
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  ČERNÝ, M.; ŠESTÁK, P.; ŘEHÁK, P.; VŠIANSKÁ, M.; ŠOB, M. Ab initio tensile tests of grain boundaries in the fcc crystals of Ni and Co with segregated sp-impurities. Materials Science and Engineering A, 2016, vol. 669, no. 7, p. 218-225. ISSN: 0921-5093.
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• 2015

  SLÁMEČKA, K.; ŠESTÁK, P.; VOJTEK, T.; KIANICOVÁ, M.; HORNÍKOVÁ, J.; ŠANDERA, P.; POKLUDA, J. Biaxial Fatigue Fractures of Case-Hardened and High-Temperature-Coatings- Protected Specimens. Powder Metallurgy Progress, 2015, vol. 15, no. special, p. 145-149. ISSN: 1335-8987.
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  ŠESTÁK, P.; WU, J.; HE, J.; POKLUDA, J.; ZHANG, Z. Extraordinary deformation capacity of smallest carbohelicene springs. Physical Chemistry Chemical Physics, 2015, vol. 17, no. 28, p. 18684-18690. ISSN: 1463-9076.
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• 2014

  ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. On the effect of deformation twins on stability of B19' structure in NiTi martensite. COMPUTATIONAL MATERIALS SCIENCE, 2014, vol. 87, no. 2, p. 107-111. ISSN: 0927-0256.
  Detail

• 2013

  ČERNÝ, M.; ŠESTÁK, P.; POKLUDA, J.; ŠOB, M. Shear instabilities in perfect bcc crystals during simulated tensile tests. PHYSICAL REVIEW B, 2013, vol. 87, no. 1, p. 014117-014117. ISSN: 1098- 0121.
  Detail

• 2012

  ČERNÝ, M.; ŠESTÁK, P.; POKLUDA, J. Strength of bcc crystals under combined shear and axial loading from first principles. COMPUTATIONAL MATERIALS SCIENCE, 2012, vol. 55, no. 1, p. 337-343. ISSN: 0927- 0256.
  Detail

• 2011

  ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. Can twinning stabilize B19' structure in NiTi martensite?. INTERMETALLICS, 2011, vol. 2011, no. 19, p. 1567-1572. ISSN: 0966- 9795.
  Detail

• 2010

  ČERNÝ, M.; ŠESTÁK, P.; POKLUDA, J. Influence of superimposed normal stress on shear strength of perfect bcc crystals. COMPUTATIONAL MATERIALS SCIENCE, 2010, vol. 47, no. 4, p. 907-910. ISSN: 0927- 0256.
  Detail

• 2009

  ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. Elastic Constants of Austenitic and Martensitic Phases of NiTi Shape Memory Alloy. In Recent Advances in Mechatronics 2008- 2009. 1. Berlin: Springer, 2009. p. 1-6. ISBN: 978-3-642-05021- 3.
  Detail

  ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. Influence of compound twinning on Young's moduli in NiTi martensite. In ESOMAT 2009 - 8th European Symposium on Martensitic Transformations Prague, Czech Republic, September 7-11, 2009. EDP Sciences, 2009. p. 1-5. ISBN: 978-2-7598-0480-1.
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• 2008

  ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. Vliv dvojčete typu (100) na mechanické charakteristiky martenzitické fáze slitiny NiTi. In Víceúrovňový design pokrokových materiálů 2008. Brno, Česká republika: Ústav fyziky materiálů, AVČR, Žižkova 22, Brno 616 62, 2008. p. 211-218. ISBN: 978-80-254-3492- 5.
  Detail

  ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. Elastic Properties of B19' Structure of NiTi Alloy under Uniaxial and Hydrostatic Loading from First Principles. Strength of materials, 2008, vol. 40, no. 1, p. 12-15. ISSN: 0039- 2316.
  Detail

• 2007

  ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. Vliv dvojčatění na mechanické vlastnosti martenzitické struktury B19' slitiny Niti Z prvních principů. In Víceúrovňový design pokrokových materiálů 07. Brno: Ústav fyziky materiálů AVČR, 2007. p. 31-36. ISBN: 978-80-254-0793- 6.
  Detail

  POKLUDA, J.; ŠANDERA, P.; OHLÍDAL, M.; ČERNÝ, M.; PILCH, J.; FLORIAN, Z.; SLÁMEČKA, K.; ŠESTÁK, P.; DOLOŽÍLEK, M.; HORNÍKOVÁ, J. Physical Engineering: Research Support of Mechatronic Models. In Simulation Modelling of Mechatronic Systems II. mechatronika. Brno: VUT v Brně, 2007. p. 15-27. ISBN: 978-80-214-3559- 9.
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  ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. Ab- initio modeling deformations of NiTi. AT& P journal PLUS, 2007, vol. 2007, no. 1, p. 67-69. ISSN: 1336- 5010.
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  ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. Influence of Normal Stress on Shear Strength along (110) and (112) Deformation Paths in B2 NiTi Alloy from First Principles. Materials Science and Engineering A, 2007, vol. 481- 482C, no. 1, p. 247-249. ISSN: 0921- 5093.
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• 2006

  ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. MECHANICKÉ CHARAKTERISTIKY KRYSTALŮ SLITINY NITI STANOVENÉ POMOCÍ AB- INITIO METOD. In Víceúrovňový design pokrokových materiálů 06. Brno: Ústav fyziky materiálů AVČR, 2006. p. 31-38. ISBN: 80-239-8271- 0.
  Detail

• 2005

  ŠESTÁK, P.; ČERNÝ, M.; POKLUDA, J. First Principles Study of Shear Deformation Path in NiTi Alloy in B2 Structure: Influence of Normal Stress. In Víceúrovňový design pokrokových materiálů. Brno: ÚFM AV ČR, 2005. p. 27-34. ISBN: 80-239-6145- 4.
  Detail

  ČERNÝ, M.; ŠESTÁK, P.; POKLUDA, J. First Principles Study of Ni- Ti Ordered Systems under Isotropic Loading. In Juniormat' 05. Brno: Vysoké učení technické v Brně, Fakulta strojního inženýrství, 2005. p. 167 ( p.)ISBN: 80-214-2984- 4.
  Detail

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