Characterization of the deformation behaviors under uniaxial stress for bicontinuous nanoporous amorphous alloys
文献情報
Yuhang Zhang, Yiqun Hu, Suhang Ding, Fuying Du
In this paper, the deformation behaviors of Cu50Zr50 bicontinuous nanoporous amorphous alloys (BNAMs) under uniaxial tension/compression are explored by molecular dynamics simulations. Scaling laws between mechanical properties and relative density are investigated. The results demonstrate that the bending deformation of the ligament is the main elastic deformation mechanism under tension. Necking and subsequent fracture of ligaments are the primary failure mechanism under tension. Under tensile loading, shear bands emerge near the plastic hinges for the BNAMs with large porosities. The typical compressive behaviors of porous structure are observed in the BNAMs with large porosities. However, for small porosity, no distinguished plateau and densification are captured under compression. The tension–compression asymmetry of modulus increases with increasing porosity, whereas the BNAMs can be seen as tension–compression symmetry of yield strength. The modulus and yield strength are negatively correlated with temperature, but a positive relationship between the tensile ductility and temperature is shown. This work will help to provide a useful understanding of the mechanical behaviors of the BNAMs.
おすすめジャーナル
関連文献
A Dirac nodal surface semi-metallic carbon-based structure as a universal anode material for metal-ion batteries with high performance
Shouren Zhang, Huili Liu, Yadan Zhang, Shuaiwei Wang, Baocheng Yang
DOI: 10.1039/D1CP02306C
Exploration on the drug solubility enhancement in aqueous medium with the help of endo-functionalized molecular tubes: a computational approach
Rabindranath Paul, Sandip Paul
DOI: 10.1039/D1CP01187A
Covalent photofunctionalization and electronic repair of 2H-MoS2via nitrogen incorporation
Helena Osthues, Christian Schwermann, Johann A. Preuß, Thorsten Deilmann, Rudolf Bratschitsch, Michael Rohlfing, Nikos L. Doltsinis
DOI: 10.1039/D1CP02313F
Exploring the thermodynamic, kinetic and inhibitory mechanisms of 5-iTU targeting mitotic kinase haspin by integrated molecular dynamics
Qianqian Wang, Qinggao Zhang, Elaine Lai Han Leung, Yingqing Chen, Xiaojun Yao
DOI: 10.1039/D1CP02783B
Mechanistic insight into oxygen vacancy migration in SrFeO3−δ from DFT+U simulations
Musa Alaydrus
DOI: 10.1039/D1CP02452C
The extrinsic nature of double broadband photoluminescence from the BaTiO3 perovskite: generation of white light emitters
J. L. Clabel H., G. Nicolodelli, G. Lozano C., V. A. G. Rivera, S. O. Ferreira, Alexandre H. Pinto, M. Siu Li, E. Marega, Jr.
DOI: 10.1039/D1CP01765A
Correction: Flexible lipid nanomaterials studied by NMR spectroscopy
Jacob J. Kinnun, Horia I. Petrache
DOI: 10.1039/D1CP90155A
こちらもおすすめ
「邻羟基阿托伐他汀内酯标准品」に適用される法規ガイドelinesは何ですか?
CAS番号163217-74-1の「邻羟基阿托伐他汀内酯标准品」は、GHS分類では危険物に分類されず、主にREACH規則とFDA/EPAの管理対象となります。R...
メチル(3R)-3-アミノ-2,3-ジヒドロ-1-ベンゾファンラニン-5-カルボイル酸塩塩酸塩の主な用途は何ですか?
メチル(3R)-3-アミノ-2,3-ジヒドロ-1-ベンゾファンラニン-5-カルボイル酸塩塩酸塩は、医薬品や合成化学の研究に広く用いられます。また、特定の薬物の前...
トランス-4-メチルピロリジン-3-オール塩酸塩はどのように合成されますか?
トランス-4-メチルピロリジン-3-オール塩酸塩は、4-メチルピロリジンの塩酸塩化によって合成されます。一般的な合成方法では、4-メチルピロリジンを塩酸に加えて...
硫雜環丁烷-1,1-二氧化物は安全ですか?
硫雜環丁烷-1,1-二氧化物は安全ではありません。毒性は報告されていませんが、高温下で分解し、可燃性があるため、高圧ガスは注意が必要です。密閉した容器で保管し、...
9-ヒドロキシエリプチシネ塩酸塩はどのように合成されますか?
9-ヒドロキシエリプチシネ塩酸塩は、エリプチシネから塩酸を添加することで合成されます。選択性は高いですが、収率は約70%です。
5-塩素-2-(メチルアミノ)フェニル-(2-塩素フェニル)メタン酮の物理化学的性質は何ですか?
5-塩素-2-(メチルアミノ)フェニル-(2-塩素フェニル)メタン酮のCAS番号は5621-86-3です。この化合物は白色の結晶性粉末で、分子量は415.03で...
1-[2-(4-甲氧基-苯氧基)-乙基]-哌嗪はどのように保存すればよいですか?
1-[2-(4-甲氧基-苯氧基)-乙基]-哌嗪は、直射日光を避けて暗所に、室温(15-25℃)で保管し、密閉容器に入れることで安定性を保つことができます。
2-[3-(4-甲氧基フェニル)プロピル]-4,4,5,5-四メチル-1,3,2-ドイボロロールアンの主な用途は何ですか?
2-[3-(4-甲氧基フェニル)プロピル]-4,4,5,5-四メチル-1,3,2-ドイボロロールアンは、医薬品の合成、有機合成化学、および新材料の研究で使用され...
掲載誌
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.














