Size- and temperature-dependent Young's modulus and size-dependent thermal expansion coefficient of thin films
Literature Information
Xiao-Ye Zhou, Bao-Ling Huang, Tong-Yi Zhang
Nanomaterials possess a high surface/volume ratio and surfaces play an essential role in size-dependent material properties. In the present study, nanometer-thick thin films were taken as an ideal system to investigate the surface-induced size- and temperature-dependent Young's modulus and size-dependent thermal expansion coefficient. The surface eigenstress model was further developed with the consideration of thermal expansion, leading to analytic formulas of size- and temperature-dependent Young's modulus, and size-dependent thermal expansion coefficient of thin films. Molecular dynamics (MD) simulations on face-centered cubic (fcc) Ag, Cu, and Ni(001) thin films were conducted at temperatures ranging from 300 K to 600 K. The MD simulation results are perfectly consistent with the theoretical predictions, thereby verifying the theoretical approach. The newly developed surface eigenstress model will be able to attack similar problems in other types of nanomaterials.
Related Literature
Mechanism, chemoselectivity and enantioselectivity for the rhodium-catalyzed desymmetric synthesis of hydrobenzofurans: a theoretical study
Zhaoyuan Yu, Xiaotian Qi, Yingzi Li, Song Liu, Yu Lan
DOI: 10.1039/C5QO00334B
Low-valent cobalt-catalyzed C–H allylation
Xuefeng Cong, Shengxian Zhai, Xiaoming Zeng
DOI: 10.1039/C6QO00011H
Silver-mediated oxidative annulation of N-arylthio succinimides with alkynes: direct access to benzo[b]thiophenes
E. Ramesh, Majji Shankar, Suman Dana, Akhila K. Sahoo
DOI: 10.1039/C6QO00259E
A novel dynamic pseudo[1]rotaxane based on a mono-biotin-functionalized pillar[5]arene
Xuan Wu, Mengfei Ni, Wei Xia, Xiao-Yu Hu, Leyong Wang
DOI: 10.1039/C5QO00159E
Transition metal-catalyzed C–H bond functionalizations by the use of diverse directing groups
Zhengkai Chen, Binjie Wang, Jitan Zhang, Wenlong Yu, Zhanxiang Liu
DOI: 10.1039/C5QO00004A
Synthesis and applications of fluorous phosphines‡
Chung-kay Edwin Law, István T. Horváth
DOI: 10.1039/C6QO00115G
You might also like
How should waste containing (6-Bromo-2-naphthyl)oxy](dimethyl)(2-methyl-2-propanyl)silane be handled?
Waste containing (6-Bromo-2-naphthyl)oxy](dimethyl)(2-methyl-2-propanyl)silane (...
How is 7-Fluoro-4-isoquinolinecarboxylic acid (CAS: 1841081-40-0) typically synthesized?
7-Fluoro-4-isoquinolinecarboxylic acid can be synthesized via a multi-step proce...
What are the physical and chemical properties of 2,3,5,6-Tetrabromothieno[3,2-b]thiophene (CAS: 124638-53-5)?
2,3,5,6-Tetrabromothieno[3,2-b]thiophene is a crystalline compound with a high m...
Is 1-[4-(Benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide (CAS: 1542705-92-9) safe?
1-[4-(Benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indol...
What is the market or research trend for imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3,4-dihydro-3-methyl-4-oxo- (CAS: 113942-30-6)?
The market for imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid, 3,4-dihydro-3...
What is 3-(Triisopropylsilyl)propiolaldehyde (CAS: 163271-80-5)?
3-(Triisopropylsilyl)propiolaldehyde is a synthetic organic compound with the CA...
What regulatory guidelines apply to 6-Nitro-2H-1,4-benzoxazin-3(4H)-one (CAS: 81721-87-1)?
6-Nitro-2H-1,4-benzoxazin-3(4H)-one (CAS: 81721-87-1) is subject to various regu...
How should waste containing (3-Fluorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid (CAS: 885272-91-3) be handled?
Waste containing (3-Fluorophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piper...
What are the physical and chemical properties of N,N'-4,4'-Biphenyldiyldiisonicotinamide (CAS: 55119-40-9)?
N,N'-4,4'-Biphenyldiyldiisonicotinamide is a white crystalline solid with a mole...
What industries use 6-Bromo-8-fluoro-2-quinazolinol (CAS: 1036756-15-6)?
6-Bromo-8-fluoro-2-quinazolinol is primarily used in the pharmaceutical industry...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














