标题
First-principles structural design of superhard materials
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 138, Issue 11, Pages 114101
出版商
AIP Publishing
发表日期
2013-03-16
DOI
10.1063/1.4794424
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Two-Dimensional Boron Monolayer Sheets
- (2012) Xiaojun Wu et al. ACS Nano
- CALYPSO: A method for crystal structure prediction
- (2012) Yanchao Wang et al. COMPUTER PHYSICS COMMUNICATIONS
- Microscopic theory of hardness and design of novel superhard crystals
- (2012) Yongjun Tian et al. INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS
- Theoretical model of hardness anisotropy in brittle materials
- (2012) Faming Gao JOURNAL OF APPLIED PHYSICS
- First-principles study of O-BN: A sp3-bonding boron nitride allotrope
- (2012) Quan Huang et al. JOURNAL OF APPLIED PHYSICS
- Phase transition in BCx system under high-pressure and high-temperature: Synthesis of cubic dense BC3 nanostructured phase
- (2012) P. V. Zinin et al. JOURNAL OF APPLIED PHYSICS
- Particle-swarm structure prediction on clusters
- (2012) Jian Lv et al. JOURNAL OF CHEMICAL PHYSICS
- Group Electronegativity for Prediction of Materials Hardness
- (2012) Keyan Li et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Prediction of Two-Dimensional Boron Sheets by Particle Swarm Optimization Algorithm
- (2012) Xiao Yu et al. Journal of Physical Chemistry C
- Superhard F-carbon predicted byab initioparticle-swarm optimization methodology
- (2012) Fei Tian et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Tetragonal Allotrope of Group 14 Elements
- (2012) Zhisheng Zhao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Four superhard carbon allotropes: a first-principles study
- (2012) Chaoyu He et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Systematic search for low-enthalpysp3carbon allotropes using evolutionary metadynamics
- (2012) Qiang Zhu et al. PHYSICAL REVIEW B
- Orthorhombic carbon allotrope of compressed graphite:Ab initiocalculations
- (2012) Jian-Tao Wang et al. PHYSICAL REVIEW B
- Crystal Structure of Cold Compressed Graphite
- (2012) Maximilian Amsler et al. PHYSICAL REVIEW LETTERS
- Crystal structure of graphite under room-temperature compression and decompression
- (2012) Yuejian Wang et al. Scientific Reports
- Modeling hardness of polycrystalline materials and bulk metallic glasses
- (2011) Xing-Qiu Chen et al. INTERMETALLICS
- Body-centered tetragonal B2N2: a novel sp3 bonding boron nitride polymorph
- (2011) Bin Wen et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Structure, bonding, vibration and ideal strength of primitive-centered tetragonal boron nitride
- (2011) Zhiping Li et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Pressure-induced structural transitions in BN fromab initiometadynamics
- (2011) Liliana Hromadová et al. PHYSICAL REVIEW B
- Anisotropy of bond projections in simple crystal structures
- (2011) Antonín Šimůnek PHYSICAL REVIEW B
- Superhardsp3carbon allotropes with odd and even ring topologies
- (2011) Daniele Selli et al. PHYSICAL REVIEW B
- Evolutionary search for superhard materials: Methodology and applications to forms of carbon and TiO2
- (2011) Andriy O. Lyakhov et al. PHYSICAL REVIEW B
- Novel Superhard Carbon: C-Centered OrthorhombicC8
- (2011) Zhisheng Zhao et al. PHYSICAL REVIEW LETTERS
- Low-Temperature Phase Transformation from Graphite tosp3Orthorhombic Carbon
- (2011) Jian-Tao Wang et al. PHYSICAL REVIEW LETTERS
- Superhard polymorphs of diamond-like
- (2011) Hanyu Liu et al. SOLID STATE COMMUNICATIONS
- Intrinsic hardness of crystalline solids
- (2010) J. S. Tse Journal of Superhard Materials
- Microscopic models of hardness
- (2010) F. M. Gao et al. Journal of Superhard Materials
- Predicting new superhard phases
- (2010) Q. Li et al. Journal of Superhard Materials
- Towards the theory of hardness of materials
- (2010) A. R. Oganov et al. Journal of Superhard Materials
- Hypothetical low-energy chiral framework structure of group 14 elements
- (2010) Chris J. Pickard et al. PHYSICAL REVIEW B
- Crystal structure prediction via particle-swarm optimization
- (2010) Yanchao Wang et al. PHYSICAL REVIEW B
- Body-Centered TetragonalC4: A Viablesp3Carbon Allotrope
- (2010) Koichiro Umemoto et al. PHYSICAL REVIEW LETTERS
- Superhard and superconductive polymorphs of diamond-like BC3
- (2010) Hanyu Liu et al. PHYSICS LETTERS A
- Rhombohedral superhard structure of BC2N
- (2009) Quan Li et al. JOURNAL OF APPLIED PHYSICS
- Structural transformations in carbon under extreme pressure: Beyond diamond
- (2009) Jian Sun et al. JOURNAL OF CHEMICAL PHYSICS
- Superhard Monoclinic Polymorph of Carbon
- (2009) Quan Li et al. PHYSICAL REVIEW LETTERS
- Ultimate Metastable Solubility of Boron in Diamond: Synthesis of Superhard DiamondlikeBC5
- (2009) Vladimir L. Solozhenko et al. PHYSICAL REVIEW LETTERS
- Transition Metal Borides: Superhard versus Ultra-incompressible
- (2008) Qinfen Gu et al. ADVANCED MATERIALS
- Thermodynamic aspects of materials’ hardness: prediction of novel superhard high-pressure phases
- (2008) V. A. Mukhanov et al. HIGH PRESSURE RESEARCH
- Hardness of covalent compounds: Roles of metallic component and d valence electrons
- (2008) Xiaoju Guo et al. JOURNAL OF APPLIED PHYSICS
- Electronegativity Identification of Novel Superhard Materials
- (2008) Keyan Li et al. PHYSICAL REVIEW LETTERS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started