| CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES |
Prev
Next
|
|
|
Be–B thin film growth: A deep potential and molecular dynamics study |
| Xilei Wang(王熙蕾)1 and Hong Zhang(张红)1,2,† |
1 College of Physics, Sichuan University, Chengdu 610065, China; 2 Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610065, China |
|
|
|
|
Abstract Beryllium-boron (BeB) thin films are important target materials in inertial confinement fusion (ICF) experiments. In this work, molecular dynamics simulations combined with deep learning methods were employed to investigate the deposition behavior and structural evolution of BeB films. The effects of incident angle, incident energy and substrate temperature on the film growth process were systematically studied. A deep learning approach was used to develop interaction potentials based on Be and B elements and the known BeB crystalline phases, enabling an accurate description of cluster growth during deposition. The simulation results indicate that appropriate control of the incident parameters and substrate temperature can significantly improve the surface quality of the films. These findings may offer preliminary insights into the optimization of experimental conditions for the fabrication of high-quality BeB thin films.
|
Received: 24 April 2025
Revised: 29 July 2025
Accepted manuscript online: 04 September 2025
|
|
PACS:
|
68.55.-a
|
(Thin film structure and morphology)
|
| |
81.15.Aa
|
(Theory and models of film growth)
|
|
| Fund: We acknowledge the support of the National Key R&D Program of China (Grant No. 2024YFF0508503). |
Corresponding Authors:
Hong Zhang
E-mail: hongzhang@scu.edu.cn
|
Cite this article:
Xilei Wang(王熙蕾) and Hong Zhang(张红) Be–B thin film growth: A deep potential and molecular dynamics study 2026 Chin. Phys. B 35 046801
|
[1] Lindl J D, Atherton L J, Amednt P A, et al. 2011 Nucl. Fusion 51 094024 [2] Edwards M J, Lindl J D, Spears B K, et al. 2011 Phys. Plasma 18 051003 [3] Zhang Z W, Qi X B and Li B 2012 Acta Phys. Sin. 61 145204 (in Chinese) [4] Puchta R 2011 Nat. Chem. 3 416 [5] Haan S W, Pollaine S M, Lindl J D, et al. 1995 Phys. Plasma 2 2480 [6] Yi S A, Simakov A N, Wilson D C, Olson R E, Kline J L, Clark D S, Hammel B A, Milovich J L, Salmonson J D, Kozioziemski B J and Batha S H 2014 Phys. Plasma 21 092701 [7] Zylstra A B, Yi S A, MacLaren S, et al. 2018 Phys. Plasma 25 102704 [8] Nikroo A, Xu H W, Moreno K A, Youngblood K P, Cooley J, Alford C S, Letts S A and Cook R C 2007 Fusion Sci. Technol. 51 553 [9] Luo B, Zhang J, He Y, Chen L, Luo J, Li K and Wu W 2017 High Power Laser Sci. Eng. 5 e10 [10] McEachern R, Alford C, Cook R, Makowiecki D and Wallace R 1997 Fusion Technol. 31 435 [11] Frost F, Fechner R, Ziberi B, Völlner J, Flamm D and Schindler A 2009 J. Phys.: Condens. Matter 21 224026 [12] Jankowski A F, Wall M A, Van Buuren A W, Nieh T G and Wadsworth J 2002 Acta Mater. 50 4791 [13] Li K, He Y, Luo J, Li W, Zhou M, Li B and Luo B 2021 Fusion Eng. Des. 172 112727 [14] Xu H, Huang H,Walker J, Elsner F H and FarrellMP 2018 Fusion Sci. Technol. 73 408 [15] Hardy H L 1980 Environ. Res. 21 1 [16] Araghi H and Zabihi Z 2013 Nucl. Instrum. Methods Phys. Res., Sect. B 298 13 [17] Guolong J and Xia Z 2024 Chin. Phys. B 33 77901 [18] Sapra S and Sarma D D 2004 Phys. Rev. B 69 125304 [19] Li J Y, Wu D, Li Y and Li Z R 2017 Chem. Phys. Lett. 674 1 [20] Cerowski V, Rao B K, Khanna S N, Jena P, Ishii S, Ohno K and Kawazoe Y 2005 J. Chem. Phys. 123 074329 [21] Kawai R and Weare J H 1990 Phys. Rev. Lett. 65 80 [22] Cao Y, Zhang J, Wu C and Yu F 2013 Thin Solid Films 544 496 [23] Hassani A, Makan A, Sbiaai K, Tabyaoui A and Hasnaoui A 2017 Thin Solid Films 640 123 [24] Luo B C, Li K, Tan X L, Zhang J Q, Luo J S, Jiang X D, Wu W D and Tang Y J 2014 J. Alloys Compd. 607 150 [25] Zhou X W, Johnson R A and Wadley H N G 1997 Acta Mater. 45 1513 [26] Zhou X W, Wadley H N G, Johnson R A, Larson D J, Tabat N, Cerezo A, Petford-Long A K, Smith G D W, Clifton P H, Martens R L and Kelly T F 2001 Acta Mater. 49 4005 [27] Zhou X W, Johnson R A and Wadley H N G 2004 Phys. Rev. B 69 144113 [28] Mes-adi H, Herbazi R, Lablali M, Saadouni K and Mazroui M 2023 Comput. Mater. Sci. 222 112117 [29] Byggmästar J, Hodille E A, Ferro Y and Nordlund K 2018 J. Phys.: Condens. Matter 30 135001 [30] Brault P, Chamorro-Coral W, Chuon S, Caillard A, Bauchire J M, Baranton S, Coutanceau C and Neyts E 2019 Front. Chem. Sci. Eng. 13 324 [31] Zhu G, Sun J, Zhang L and Gan Z 2018 J. Cryst. Growth 492 60 [32] Sharkass M, Dwivedi S, Shin Y K, Nieto-Perez M, van Duin A C T and Krstic P S 2025 J. Nucl. Mater. 606 155622 [33] Agrawal A, Mishra R,Ward L, Flores K M and Windl W 2013 Modell. Simul. Mater. Sci. Eng. 21 085001 [34] Kang J W and Hwang H J 2004 Comput. Mater. Sci. 31 237 [35] Bartók A P, Payne M C, Kondor R and Csányi G 2010 Phys. Rev. Lett. 104 136403 [36] Zhang L, Han J, Wang H, Car R and E W 2018 Phys. Rev. Lett. 120 143001 [37] Thompson A P, Swiler L P, Trott C R, Foiles S M and Tucker G J 2015 J. Comput. Phys. 285 316 [38] Shapeev A V 2016 Multiscale Modeling & Simulation 14 1153 [39] Behler J 2016 J. Chem. Phys. 145 170901 [40] Konashi K, Kato N, Mori K and Kurosaki K 2025 J. Nucl. Mater. 607 155660 [41] Kim J J, Kim E-S, Seong H W and Ryu H J 2025 J. Nucl. Mater. 605 155532 [42] Liyanage M, Reith D, Eyert V and Curtin W A 2024 J. Nucl. Mater. 602 155341 [43] Hirel P 2015 Comput. Phys. Commun. 197 212 [44] Plimpton S 1995 J. Comput. Phys. 117 1 [45] Brodtkorb A R, Hagen T R and Sætra M L 2013 J. Parallel Distrib. Comput. 73 4 [46] Stukowski A 2010 Modell. Simul. Mater. Sci. Eng. 18 015012 [47] Svishchev I M and Kusalik P G 1993 J. Chem. Phys. 99 3049 [48] Chubynsky M V and Slater G W 2014 Phys. Rev. Lett. 113 098302 |
| No Suggested Reading articles found! |
|
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
Cited |
|
|
|
|
Altmetric
|
|
blogs
Facebook pages
Wikipedia page
Google+ users
|
Online attention
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
View more on Altmetrics
|
|
|