☆ 4.6 Article

Modeling of film growth by cluster deposition: The effect of size and energy

PHYSICAL REVIEW B (2009)

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PHYSICAL REVIEW B

卷 79, 期 23, 页码 -

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AMER PHYSICAL SOC

DOI: 10.1103/PhysRevB.79.235435

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Materials Science, Multidisciplinary Physics, Applied Physics, Condensed Matter

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The density of cluster-assembled thin films depends heavily on the size of the deposited clusters as well as the energy with which they impact the substrate. Using molecular-dynamics simulations we have quantitatively studied variations in the density of thin films grown by deposition of clusters, with diameters between 1 and 9 nm, and at energies ranging from 2 meV to 10 eV per cluster atom. A model explaining the behavior of smaller clusters is presented, and a threshold limit in cluster size, where deviation from this model occurs, is determined. The deviation is shown to be due to a lessened sintering between clusters.

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Luna, E. de la Luna, M. Lungaroni, C. P. Lungu, T. Lunt, V Lutsenko, B. Lyons, A. Lyssoivan, M. Machielsen, E. Macusova, R. Maenpaa, C. F. Maggi, R. Maggiora, M. Magness, S. Mahesan, H. Maier, R. Maingi, K. Malinowski, P. Manas, P. Mantica, M. J. Mantsinen, J. Manyer, A. Manzanares, Ph Maquet, G. Marceca, N. Marcenko, C. Marchetto, O. Marchuk, A. Mariani, G. Mariano, M. Marin, M. Marinelli, T. Markovic, D. Marocco, L. Marot, S. Marsden, J. Marsh, R. Marshall, L. Martellucci, A. Martin, A. J. Martin, R. Martone, S. Maruyama, M. Maslov, S. Masuzaki, S. Matejcik, M. Mattei, G. F. Matthews, D. Matveev, E. Matveeva, A. Mauriya, F. Maviglia, M. Mayer, M-L Mayoral, S. Mazzi, C. Mazzotta, R. McAdams, P. J. McCarthy, K. G. McClements, J. McClenaghan, P. McCullen, D. C. McDonald, D. McGuckin, D. McHugh, G. McIntyre, R. McKean, J. McKehon, B. McMillan, L. McNamee, A. McShee, A. Meakins, S. Medley, C. J. Meekes, K. Meghani, A. G. Meigs, G. Meisl, S. Meitner, S. Menmuir, K. Mergia, S. Merriman, Ph Mertens, S. Meshchaninov, A. Messiaen, R. Michling, P. Middleton, D. Middleton-Gear, J. Mietelski, D. Milanesio, E. Milani, F. Militello, A. Militello Asp, J. Milnes, A. Milocco, G. Miloshevsky, C. Minghao, S. Minucci, I Miron, M. Miyamoto, J. Mlynar, V Moiseenko, P. Monaghan, I Monakhov, T. Moody, S. Moon, R. Mooney, S. Moradi, J. Morales, R. B. Morales, S. Mordijck, L. Moreira, L. Morgan, F. Moro, J. Morris, K-M Morrison, L. Msero, D. Moulton, T. Mrowetz, T. Mundy, M. Muraglia, A. Murari, A. Muraro, N. Muthusonai, Yong-Su Na, F. Nabais, M. Naden, J. Naish, R. Naish, F. Napoli, E. Nardon, V Naulin, M. F. F. Nave, I Nedzelskiy, G. Nemtsev, V Nesenevich, I Nestoras, R. Neu, V. S. Neverov, S. Ng, M. Nicassio, A. H. Nielsen, D. Nina, D. Nishijima, C. Noble, C. R. Nobs, M. Nocente, D. Nodwell, K. Nordlund, H. Nordman, R. Normanton, J. M. Noterdaeme, S. Nowak, E. Nunn, H. Nystrom, M. Oberparleiter, B. Obryk, J. O'Callaghan, T. Odupitan, H. J. C. Oliver, R. Olney, M. O'Mullane, J. Ongena, E. Organ, F. Orsitto, J. Orszagh, T. Osborne, R. Otin, T. Otsuka, A. Owen, Y. Oya, M. Oyaizu, R. Paccagnella, N. Pace, L. W. Packer, S. Paige, E. Pajuste, D. Palade, S. J. P. Pamela, N. Panadero, E. Panontin, A. Papadopoulos, G. Papp, P. Papp, V. V. Parail, C. Pardanaud, J. Parisi, F. Parra Diaz, A. Parsloe, M. Parsons, N. Parsons, M. Passeri, A. Patel, A. Pau, G. Pautasso, R. Pavlichenko, A. Pavone, E. Pawelec, C. Paz Soldan, A. Peacock, M. Pearce, E. Peluso, C. Penot, K. Pepperell, R. Pereira, T. Pereira, E. Perelli Cippo, P. Pereslavtsev, C. Perez von Thun, V Pericoli, D. Perry, M. Peterka, P. Petersson, G. Petravich, N. Petrella, M. Peyman, M. Pillon, S. Pinches, G. Pintsuk, W. Pires de Sa, A. Pires dos Reis, C. Piron, L. Pionr, A. Pironti, R. Pitts, K. L. van de Plassche, N. Platt, V Plyusnin, M. Podesta, G. Pokol, F. M. Poli, O. G. Pompilian, S. Popovichev, M. Poradzinski, M. T. Porfiri, M. Porkolab, C. Porosnicu, M. Porton, G. Poulipoulis, I Predebon, G. Prestopino, C. Price, D. Price, M. Price, D. Primetzhofer, P. Prior, G. Provatas, G. Pucella, P. Puglia, K. Purahoo, I Pusztai, O. Putignano, T. Puetterich, A. Quercia, E. Rachlew, G. Radulescu, V Radulovic, M. Rainford, P. Raj, G. Ralph, G. Ramogida, D. Rasmussen, J. J. Rasmussen, G. Ratta, S. Ratynskaia, M. Rebai, D. Refy, R. Reichle, M. Reinke, D. Reiser, C. Reux, S. Reynolds, M. L. Richiusa, S. Richyal, D. Rigamonti, F. G. Rimini, J. Risner, M. Riva, J. Rivero-Rodriguez, C. M. Roach, R. Robins, S. Robinson, D. Robson, R. Rodionov, P. Rodrigues, M. Rodriguez Ramos, P. Rodriguez-Fernandez, F. Romanelli, M. Romanelli, S. Romanelli, J. Romazanov, R. Rossi, S. Rowe, D. Rowlands, M. Rubel, G. Rubinacci, G. Rubino, L. Ruchko, M. Ruiz, J. Ruiz Ruiz, C. Ruset, J. Rzadkiewicz, S. Saarelma, E. Safi, A. Sahlberg, M. Salewski, A. Salmi, R. Salmon, F. Salzedas, I Sanders, D. Sandiford, B. Santos, A. Santucci, K. Sarkimaki, R. Sarwar, I Sarychev, O. Sauter, P. Sauwan, N. Scapin, F. Schluck, K. Schmid, S. Schmuck, M. Schneider, P. A. Schneider, D. Schworer, G. Scott, M. Scott, D. Scraggs, S. Scully, M. Segato, Jaemin Seo, G. Sergienko, M. Sertoli, S. E. Sharapov, A. Shaw, H. Sheikh, U. Sheikh, A. Shepherd, A. Shevelev, P. Shigin, K. Shinohara, S. Shiraiwa, D. Shiraki, M. Short, G. Sias, S. A. Silburn, A. Silva, C. Silva, J. Silva, D. Silvagni, D. Simfukwe, J. Simpson, D. Sinclair, S. K. Sipila, A. C. C. Sips, P. Siren, A. Sirinelli, H. Sjostrand, N. Skinner, J. Slater, N. Smith, P. Smith, J. Snell, G. Snoep, L. Snoj, P. Snyder, S. Soare, E. R. Solano, V Solokha, A. Somers, C. Sommariva, K. Soni, E. Sorokovoy, M. Sos, J. Sousa, C. Sozzi, S. Spagnolo, T. Spelzini, F. Spineanu, D. Spong, D. Sprada, S. Sridhar, C. Srinivasan, G. Stables, G. Staebler, I Stamatelatos, Z. Stancar, P. Staniec, G. Stankunas, M. Stead, E. Stefanikova, A. Stephen, J. Stephens, P. Stevenson, M. Stojanov, P. Strand, H. R. Strauss, S. Strikwerda, P. Strom, C. Stuart, W. Studholme, M. Subramani, E. Suchkov, S. Sumida, H. J. Sun, T. E. Susts, J. Svensson, J. Svoboda, R. Sweeney, D. Sytnykov, T. Szabolics, G. Szepesi, B. Tabia, T. Tadic, B. Tal, T. Tala, A. Tallargio, P. Tamain, H. Tan, K. Tanaka, W. Tang, M. Tardocchi, D. Taylor, A. S. Teimane, G. Telesca, N. Teplova, A. Teplukhina, D. Terentyev, A. Terra, D. Terranova, N. Terranova, D. Testa, E. Tholerus, J. Thomas, E. Thoren, A. Thorman, W. Tierens, R. A. Tinguely, A. Tipton, H. Todd, M. Tokitani, P. Tolias, M. Tomes, A. Tookey, Y. Torikai, U. von Toussaint, P. Tsavalas, D. Tskhakaya, I Turner, M. Turner, M. M. Turner, M. Turnyanskiy, G. Tvalashvili, S. Tyrrell, M. Tyshchenko, A. Uccello, V Udintsev, G. Urbanczyk, A. Vadgama, D. Valcarcel, M. Valisa, P. Vallejos Olivares, O. Vallhagen, D. Van Eester, J. Varje, S. Vartanian, T. Vasilopoulou, G. Vayakis, M. Vecsei, J. Vega, S. Ventre, G. Verdoolaege, C. Verona, G. Verona Rinati, E. Veshchev, N. Vianello, E. Viezzer, L. Vignitchouk, R. Vila, R. Villari, F. Villone, P. Vincenzi, I Vinyar, B. Viola, A. J. Virtanen, A. Vitins, Z. Vizvary, G. Vlad, M. Vlad, P. Vondracek, P. de Vries, B. Wakeling, N. R. Walkden, M. Walker, R. Walker, M. Walsh, E. Wang, N. Wang, S. Warder, R. Warren, J. Waterhouse, C. Watts, T. Wauters, A. Weckmann, H. Wedderburn Maxwell, M. Weiland, H. Weisen, M. Weiszflog, P. Welch, N. Wendler, A. West, M. Wheatley, S. Wheeler, A. Whitehead, D. Whittaker, A. Widdowson, S. Wiesen, J. Wilkinson, J. C. Williams, D. Willoughby, I Wilson, J. Wilson, T. Wilson, M. Wischmeier, P. Wise, G. Withenshaw, A. Withycombe, D. Witts, A. Wojcik-Gargula, E. Wolfrum, R. Wood, C. Woodley, R. Woodley, B. Woods, J. Wright, J. C. Wright, T. Xu, D. Yadikin, M. Yajima, Y. Yakovenko, Y. Yang, W. Yanling, V Yanovskiy, I Young, R. Young, R. J. Zabolockis, J. Zacks, R. Zagorski, F. S. Zaitsev, L. Zakharov, A. Zarins, D. Zarzoso Fernandez, K-D Zastrow, Y. Zayachuk, M. Zerbini, W. Zhang, Y. Zhou, M. Zlobinski, A. Zocco, A. Zohar, V Zoita, S. Zoletnik, V. K. Zotta, I Zoulias, W. Zwingmann, I Zychor

Summary: The JET 2019-2020 scientific and technological programme made use of previous scientific and engineering work to achieve significant research results. The focus was on scenarios for high fusion power and alpha particle physics, consequences of long-term exposure to JET-ILW plasma, and the nuclear technology programme for maximum technological return.

NUCLEAR FUSION (2022)

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Article Physics, Fluids & Plasmas

EUROfusion-theory and advanced simulation coordination (E-TASC): programme and the role of high performance computing

X. Litaudon, F. Jenko, D. Borba, D. Borodin, B. J. Braams, S. Brezinsek, I Calvo, R. Coelho, A. J. H. Donne, O. Embreus, D. Farina, T. Goerler, J. P. Graves, R. Hatzky, J. Hillesheim, F. Imbeaux, D. Kalupin, R. Kamendje, H-T Kim, H. Meyer, F. Militello, K. Nordlund, C. Roach, F. Robin, M. Romanelli, F. Schluck, E. Serre, E. Sonnendruecker, P. Strand, P. Tamain, D. Tskhakaya, J. L. Velasco, L. Villard, S. Wiesen, H. Wilson, F. Zonca

Summary: This paper is a written summary of an overview oral presentation given at the 1st Spanish Fusion High Performance Computer (HPC) Workshop. It provides an introduction to the coordination efforts in fusion research by the EUROfusion consortium and the principles of E-TASC. The scientific results obtained in the pilot phase of E-TASC are also discussed, emphasizing the importance of computational methods and HPC techniques.

PLASMA PHYSICS AND CONTROLLED FUSION (2022)

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Article Physics, Applied

Nanorod orientation control by swift heavy ion irradiation

Spyridon Korkos, Ville Jantunen, Kai Arstila, Timo Sajavaara, Aleksi Leino, Kai Nordlund, Flyura Djurabekova

Summary: This study demonstrates that highly energetic ions can be utilized to not only modify the shape of metal nanoparticles, but also manipulate the orientation of nanorods. Through a combination of imaging and experimental observation, the complex mechanism of nanorod re-orientation is revealed.

APPLIED PHYSICS LETTERS (2022)

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Article Materials Science, Multidisciplinary

Effect of radiation defects on the early stages of nanoindentation tests in bcc Fe and Fe-Cr alloys

Alexander Bakaev, Junlei Zhao, Dmitry Terentyev, Giovanni Bonny, Nicolas Castin, Antti Kuronen, Nikolai Kvashin, Kai Nordlund, Viktor A. Bakaev, Igor G. Golikov

Summary: Classical molecular dynamics simulations were performed to evaluate the effect of various defects on the material response during nanoindentation tests. The presence of radiation defects did not induce significant changes in the material response, but distinct features were observed in crystals with radiation defects.

COMPUTATIONAL MATERIALS SCIENCE (2022)

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Article Physics, Applied

Interface effects on heat dynamics in embedded metal nanoparticles during swift heavy ion irradiation

Ville Jantunen, Aleksi Leino, Mihkel Veske, Andreas Kyritsakis, Henrique Vazquez Muinos, Kai Nordlund, Flyura Djurabekova

Summary: This study investigates the impact of ion beams on the shape of metal nanoparticles embedded in an insulating matrix. The results show that interface effects play a crucial role in heat conduction and can significantly alter the melting process, leading to changes in the size and shape of the nanoparticles.

JOURNAL OF PHYSICS D-APPLIED PHYSICS (2022)

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Article Materials Science, Multidisciplinary

Effect of surface morphology on Tungsten sputtering yields

Alvaro Lopez-Cazalilla, Joonas Jussila, Kai Nordlund, Fredric Granberg

Summary: Nuclear fusion is a promising concept for future energy production, offering endless fuel and no greenhouse effects. However, developing new materials and understanding their behavior is crucial for the successful construction of a fusion reactor. This study focuses on the sputtering of different tungsten surfaces under various conditions, using molecular dynamics simulations to gain a deeper understanding of the process. The evolution of W fuzz cells and the impact of surface feature height on erosion and sputtering under ion irradiation are also investigated.

COMPUTATIONAL MATERIALS SCIENCE (2023)

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Article Physics, Applied

Effect of lattice voids on Rutherford backscattering dechanneling in tungsten

Xin Jin, Flyura Djurabekova, Miguel Sequeira, Katharina Lorenz, Kai Nordlund

Summary: In this study, we used a simulation approach to investigate the dechanneling induced by voids with different shapes in tungsten. We found that the dechanneling cross section of large voids can be described by the product of the minimum yield and the area projected from the void to the target surface, as suggested by analytical models. However, this method overestimates the dechanneling induced by small voids, and there are significant differences between voids and stacking faults in terms of dechanneling.

JOURNAL OF PHYSICS D-APPLIED PHYSICS (2023)

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Review Materials Science, Multidisciplinary

Recent progress on understanding the temperature-dependent irradiation resistance ranking among NiFe, NiCoCr, and NiCoFeCr alloys: A review

G. Velisa, F. Granberg, E. Levo, Y. Zhou, Z. Fan, H. Bei, F. Tuomisto, K. Nordlund, F. Djurabekova, W. J. Weber, Y. Zhang

Summary: Systematic temperature-effects investigations on damage evolution in ion-irradiated Ni-based concentrated solid-solution alloys are crucial for ensuring their reliability in nuclear applications. By comparing experimental and theoretical data on equiatomic NiFe, NiCoCr, and NiCoFeCr alloys, as well as new ion channeling results on ion-irradiated NiCoFeCr at 500 K, we suggest that the lower migration energy of vacancies in NiCoCr is the reason why it is no longer outperforming NiFe under ion irradiation above 300 K, as supported by independent theoretical calculations and TEM results from the literature.

JOURNAL OF MATERIALS RESEARCH (2023)

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Article Materials Science, Multidisciplinary

Efficient atomistic simulations of radiation damage in W and W-Mo using machine-learning potentials

Mikko Koskenniemi, Jesper Byggmastar, Kai Nordlund, Flyura Djurabekova

Summary: In this study, a faster version of the Gaussian approximation potential (GAP), known as tabulated GAP (tabGAP), is validated by modeling primary radiation damage in 50-50 W-Mo alloys and pure W using classical molecular dynamics. The results show that W-Mo exhibits similar surviving defect numbers as pure W, but with more efficient recombination of defects. TabGAP is found to be two orders of magnitude faster than GAP while producing comparable defect numbers and cluster sizes, albeit with a small difference in the fraction of bound interstitials.

JOURNAL OF NUCLEAR MATERIALS (2023)

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Article Materials Science, Multidisciplinary

Formation of parallel and perpendicular ripples on solid amorphous surfaces by ion beam-driven atomic flow on and under the surface

Alvaro Lopez-Cazalilla, Kai Nordlund, Flyura Djurabekova

Summary: The off-normal ion irradiation of semiconductor materials can result in nanopatterning effects. Different theories are proposed to explain the self-reorganization mechanisms of amorphizable surfaces. One hypothesis suggests that nanopatterning is associated with changes in sputtering characteristics due to surface morphology changes. Molecular dynamics simulations are conducted to investigate the formation of ripples in different regimes, providing atom-level insights on the atomic dynamics and organization.

PHYSICAL REVIEW MATERIALS (2023)

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Article Materials Science, Multidisciplinary

Comprehensive structural changes in nanoscale-deformed silicon modelled with an integrated atomic potential

Rafal Abram, Dariusz Chrobak, Jesper Byggmastar, Kai Nordlund, Roman Nowak

Summary: Despite the remarkable developments in advanced materials, silicon remains one of the leading semiconductors today. Its nanomechanical behavior, including phase transformation, amorphization, and dislocation generation, is of enduring significance in science and technology. This paper examines the effectiveness of combining two well-known potentials, Tersoff and Stillinger-Weber, in simulating the complex behavior of silicon during nanoscale deformation. The results suggest that our model successfully replicates experimentally observed structural changes and offers new insights into the capabilities of existing computational models.

MATERIALIA (2023)

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Article Materials Science, Multidisciplinary

Effects of lattice and mass mismatch on primary radiation damage in W-Ta and W-Mo binary alloys

Guanying Wei, Jesper Byggmastar, Junzhi Cui, Kai Nordlund, Jingli Ren, Flyura Djurabekova

Summary: This study investigates the effect of lattice parameter difference and mass difference on primary radiation damage in W-Ta and W-Mo alloys through atomistic simulations. The results show that the available interatomic potential and Gaussian approximation potential yield different predictions, but the trend of alloy composition on surviving defects is similar in W-Mo alloys, while it differs significantly in W-Ta alloys.

JOURNAL OF NUCLEAR MATERIALS (2023)

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Article Materials Science, Multidisciplinary

Formation and self-organisation of nano-porosity in swift heavy ion irradiated amorphous Ge

Thomas Bierschenk, Werner Wesch, Boshra Afra, Matias D. Rodriguez, Flyura Djurabekova, Levi Keller, Olli H. Pakarinen, Kai Nordlund, Mark C. Ridgway, Patrick Kluth

Summary: Swift heavy ion irradiation leads to the self-organization of nano-porosity in amorphous Ge, with pores segregating into layers parallel to the sample surface. The self-organization mechanism depends on ion energy, thickness of the amorphous Ge layer, and ion incidence angle, with a characteristic length determined by ion energy and irradiation angle. Molecular dynamics simulations show that voids form due to the transition from low-density amorphous to high-density liquid phase, resulting in a flow away from large pores and surfaces and supporting void formation at the amorphous/crystalline interface.

ACTA MATERIALIA (2023)

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Article Astronomy & Astrophysics

Energy loss in low energy nuclear recoils in dark matter detector materials

Sebastian Sassi, Matti Heikinheimo, Kimmo Tuominen, Antti Kuronen, Jesper Byggmaestar, Kai Nordlund, Nader Mirabolfathi

Summary: Recent progress in phonon-mediated detectors with eV-scale nuclear recoil energy sensitivity requires understanding the effect of crystalline defects on the expected energy spectrum. Molecular dynamics simulations are performed to determine the amount of energy stored in lattice defects. The results show that this energy cannot be observed in phonon measurements, which affects the observed energy spectrum compared to the true recoil energy spectrum.

PHYSICAL REVIEW D (2022)

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Article Optics

Large nuclear scattering effects in antiproton transmission through polymer and metal-coated foils

K. Nordlund, M. Hori, D. Sundholm

Summary: We simulated the deceleration and transmission of antiprotons with keV-scale kinetic energies through polymer foils, and found that the coatings of materials on the surfaces have an impact on the transmission of antiprotons.

PHYSICAL REVIEW A (2022)

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