Geodesic
Numerical analysis of the atomic structure and shape of metal nanoparticles
Žurnal vyčislitelʹnoj matematiki i matematičeskoj fiziki, Tome 47 (2007) no. 10, pp. 1774-1783 Cet article a éte moissonné depuis la source Math-Net.Ru

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Numerical simulation methods in the framework of molecular dynamics are used to study the emergence and development of amorphous, crystalline, and polycrystalline phases and their spread to the entire volume of a nanoparticle as it increases. Numerical results are presented for the parameters characterizing these processes in metal nanoparticles produced by top-down techniques. The basic features of nanoparticle formation in top-down processes and the properties of the nanoparticle structure are described. 
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A. V. Vakhrouchev; A. M. Lipanov. Numerical analysis of the atomic structure and shape of metal nanoparticles. Žurnal vyčislitelʹnoj matematiki i matematičeskoj fiziki, Tome 47 (2007) no. 10, pp. 1774-1783. http://geodesic.mathdoc.fr/item/ZVMMF_2007_47_10_a9/

[1] Qing-Qing Ni, Yaqin Fu, Masaharu Iwamoto, “Evaluation of elastic modulus of nano particles in PMMA/Silica Nanocomposites”, J. Soc. Materials Sci. Japan, 53:9 (2004), 956–961

[2] Ruoff R. S., Pugno N. M., “Strength of nanostructures”, Mech. 21st Century. Proc. 21-th Internat. Congress Theor. and Appl. Mech., Springer, Warsaw, 2004, 303–311

[3] Diao J., Gall K., Dunn M. L., “Atomistic simulation of the structure and elastic properties of gold nanowires”, J. Mech. and Phys. Solids, 52:9 (2004), 1935–1962 | DOI | MR | Zbl

[4] Dingreville R., Qu. J., Cherkaoui M., “Surface free energy and its effect on the elastic behavior of nano-sized particles, wires and films”, J. Mech. and Phys. Solids, 53:8 (2004), 1827–1854 | DOI | MR

[5] Duan H. L., Wang J., Huang Z. P., Karihaloo B. L., “Size-dependent effective elastic constants of solids containing nano-inhomogeneities with interface stress”, J. Mech. and Phys. Solids, 53:7 (2005), 1574–1596 | DOI | MR | Zbl

[6] Valiev P. Z., Aleksandrov I. V., Nanostrukturnye materialy, poluchennye intensivnoi plasticheskoi deformatsiei, Logos, M., 2000

[7] Galashev A. E., Issledovanie ustoichivosti metastabilnykh faz i klasterov metodom molekulyarnoi dinamiki, Dis. $\dots$ dokt. fiz.-matem. nauk, 1997

[8] Gusev A. I., Rempel A. A., Nanokristallicheskie materialy, Fizmatlit, M., 2001

[9] Zavodinskii V. G., Atomnaya struktura i elektronnoe stroenie nanometrovykh sistem na osnove kremniya, Dis. $\dots$ dokt. fiz.-matem. nauk, 1997

[10] Lagunov V. A., Sinani A. B., “Kompyuternoe modelirovanie deformirovaniya i razrusheniya kristallov”, Fiz. tverdogo tela, 43:4 (2001), 644–650

[11] Petrov Yu. I., Klastery i malye chastitsy, Nauka, M., 1986

[12] Petrunin V. F., Zelenyuk F. M. i dr., “Osobennosti atomnoi struktury ultradispersnykh sistem”, Fizikokhimiya ultradispersnykh sistem, M., 1987, 60–67

[13] Morokhov I. D., Trusov L. V., Lapovok V. I., Fizicheskie yavleniya v ultradispersnykh sistemakh, Nauka, M., 1984

[14] Hoare M. R., “Structure and dynamics of simple microclusters”, Ach. Chem. Phys., 40 (1987), 49–135

[15] Brooks B. R., Bruccoleri R. E., Olafson B. D. et al., “CHARMM: A program for macromolecular energy minimization, and dynamics calculations”, J. Comput. Chemistry, 4:2 (1983), 187–217 | DOI

[16] Vakhrushev A. B., “Modelirovanie statiki i dinamiki klasterov na makro-, mezo- i mikrostrukturnykh urovnyakh”, Vestn. IzhGTU, 2001, no. 1, 25–29

[17] Vakhrushev A. B., Lipanov A. M., Zhichkin E. A., “Kompyuternoe modelirovanie statiki i dinamiki klasternykh struktur”, Primenenie matem. modelirovaniya dlya resheniya zadach v nauke i tekhn., IPM UrO RAN, Izhevsk, 1996, 158–163

[18] Vakhrushev A. V.,Lipanov A. M., “Modeli protsessov formirovaniya klasterov i klasternykh makrostruktur”, Klasternye sistemy i materialy, IPMekhan. UrO RAN, Izhevsk, 1997, 104–121

[19] Vakhrouchev A. V., Lipanov A. M., “A numerical analysis of the rupture of powder materials under the power impact influence”, Comput. Structures, 44:1/2 (1992), 481–486 | DOI

[20] Lipanov A. M., Vakhrushev A. B., “Makro- i mikrostrukturnoe modelirovanie protsessov klasteroobrazovaniya pri impulsnom dispergirovanii poroshkov”, Klasternye materialy, IPMekhan. UrO RAN, Izhevsk, 1991, 114–128

[21] Lipanov A. M., Vakhrushev A. B., “Zadacha o dispergirovanii poroshkovykh materialov vzryvom”, Prikl. mekhan., 27:2 (1991), 47–53 | Zbl

[22] Lipanov A. M., Vakhrushev A. B., “Dinamika protsessa drobleniya poroshkov pri nestatsionarnom vozdeistvii davleniya”, Modelirovanie v mekhan., 4(21), no. 6, SO AN SSSR, Novosibirsk, 1990, 110–122 | MR

[23] Vakhrushev A. B., Fizicheskie osnovy i matematicheskoe modelirovanie mekhaniki poroshkovykh metallo-kompozitov, Dis. $\dots$ dokt. fiz.-matem. nauk, IPMekhan. UrO RAN, Izhevsk, 2002

[24] Kheerman D. V., Metody kompyuternogo eksperimenta v statisticheskoi fizike, Nauka, M., 1990

[25] Burkert U., Ellindzhner N., Molekulyarnaya mekhanika, Mir, M., 1986

[26] Chudinov V. G., Atomnye mekhanizmy pervichnykh protsessov pri radiatsionnom vozdeistvii na tverdoe telo, Dis. $\dots$ dokt. fiz.-matem. nauk, 1992

[27] Fomin V. M., Gulidov A. I., Sapozhnikov G. A. i dr., Vysokoskorostnoe vzaimodeistvie tel, SO RAN, Novosibirsk, 1999

[28] Verlet L., “Computer “experiments” on classical fluids. I. Thermodynamical properties of Lennard–Jones molecules”, Phys. Rev., 159:1 (1967), 98–103 | DOI

[29] http://www.ks.uiuc.edu/Research/namd/

[30] http://www.ks.uiuc.edu/Research/vmd/

[31] Rut M., Nanokonstruirovanie v nauke i tekhnike. Vvedenie v mir nanorascheta, NITs “Regulyarnaya i khaotich. dinamika”, M., Izhevsk, 2005