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undergraduate thesis
Simuliranje deformacije u metalima na atomskoj razini
Sisak: University of Zagreb, Faculty of Metallurgy, 2018. urn:nbn:hr:115:076453
Novak, Tomislav
University of Zagreb
Faculty of Metallurgy

Institutional repository: Repository of Faculty of Metallurgy University of Zagreb

Cite this document

Novak, T. (2018). Simuliranje deformacije u metalima na atomskoj razini (Undergraduate thesis). Sisak: University of Zagreb, Faculty of Metallurgy. Retrieved from https://urn.nsk.hr/urn:nbn:hr:115:076453

Novak, Tomislav. "Simuliranje deformacije u metalima na atomskoj razini." Undergraduate thesis, University of Zagreb, Faculty of Metallurgy, 2018. https://urn.nsk.hr/urn:nbn:hr:115:076453

Novak, Tomislav. "Simuliranje deformacije u metalima na atomskoj razini." Undergraduate thesis, University of Zagreb, Faculty of Metallurgy, 2018. https://urn.nsk.hr/urn:nbn:hr:115:076453

Novak, T. (2018). 'Simuliranje deformacije u metalima na atomskoj razini', Undergraduate thesis, University of Zagreb, Faculty of Metallurgy, accessed 20 December 2024, https://urn.nsk.hr/urn:nbn:hr:115:076453

Novak T. Simuliranje deformacije u metalima na atomskoj razini [Undergraduate thesis]. Sisak: University of Zagreb, Faculty of Metallurgy; 2018 [cited 2024 December 20] Available at: https://urn.nsk.hr/urn:nbn:hr:115:076453

T. Novak, "Simuliranje deformacije u metalima na atomskoj razini", Undergraduate thesis, University of Zagreb, Faculty of Metallurgy, Sisak, 2018. Available at: https://urn.nsk.hr/urn:nbn:hr:115:076453

Metadata
TitleSimuliranje deformacije u metalima na atomskoj razini
Title (english)Atomistic simulations of deformations in metals
AuthorTomislav Novak
MentorRobert Pezer (mentor)
Committee memberStjepan Kožuh (predsjednik povjerenstva)
Committee memberRobert Pezer (član povjerenstva)
Committee memberMirko Gojić (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Metallurgy
Sisak
Defense date and country2018-09-17, Croatia
Scientific / art field,
discipline and subdiscipline		TECHNICAL SCIENCES
Metallurgy
Abstract
Molekularna dinamika je metoda u kojoj se gibanje svakog pojedinog atoma ili molekule izračunava izravnom primjenom Newtonovih zakona (posebno 2.). Praktičan račun će uključiti veliki broj čestica, od nekoliko desetina do čak nekoliko milijuna. U tako složenim proračunima nužno je koristiti kompjutorsko simuliranje jer je kompleksni izračun nemoguće obaviti analitički za inženjerski relevantne sisteme. Makroskopske veličine se dobivaju statističkom obradom mikroskopskih putanja čestica. To je alat koji možemo koristiti za razumijevanje makroskopske fizike polazeći od atomskih fenomena. Ova metoda posljednjih godina doživljava veliki uzlet i ima široku primjenu za proračun termodinamičkih svojstava plinova, kapljevina i čvrste tvari. U ovom radu ćemo predstaviti simulaciju jednostavnog, ali iznimno važnog eksperimenta jednoosnog istezanja gredice aluminija korištenjem realnog međuatomskog potencijala pri čemu ćemo odrediti krivulju naprezanja-deformacija za sisteme pri različitim temperaturama te ih međusobno usporediti.
Abstract (english)
Molecular dynamics is a method of calculating the motion of each individual atom or molecule utilizing Newton's laws of motion (in particular the 2nd law). The practical approach will include a large number of particles, from several dozens to even a few million. In such a complex calculation, the use of computer simulations is a must because the complex calculation cannot be done analytically for engineering relevant systems. Macroscopic physical quantities are going to be obtained by using statistical analysis of the microscopic particle trajectories. It is a tool for enhancing our understanding of the macroscopic physics starting from atomistic phenomena. This method has received a large boost within the last few years and has found application in the calculation of thermodynamic properties of gases, liquids, and solids. In this work, we shall present a simulation of a simple, but exceptional, uniaxial tensile test of an aluminum bar based on the realistic interatomic potential. We shall determine the stress-strain curve at different temperatures and compare them..
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:115:076453
Study programmeTitle: Metallurgy; specializations in: Metallurgical Engineering, Industrial Ecology
Course: Metallurgical Engineering
Study programme type: university
Study level: undergraduate
Academic / professional title: sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka metalurgije (sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka metalurgije)
Type of resourceText
File originBorn digital
Access conditionsOpen access
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Created on2018-10-01 10:04:33