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	1. Impact of bond order loss on surface and nanosolid mechanics
	Sun Changqing,L. K. Pan,C. M. Li
	Physics 29 June 2005
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	Abstract:An analytical solution shows that a competition between bond order loss and the associated bond strength gain of the lower coordinated atoms near the edge of a surface dictates the mechanics of the surface and hence a nanosolid. Bond order loss lowers the activation energy for atomic dislocation whereas bond strength gain enhances the energy density, or mechanical strength, in the region near the surface. Therefore, the surface is harder than the bulk interior at temperature far below the melting point (Tm) and the surface becomes softer at temperature closing to the surface Tm that drops because of bond order loss. Matching predictions to measurements reveals that transition happens to the Hall-Petch relationship for a nanosolid when the effect of bond order loss becomes dominant and the critical size of Hall-Petch transition depends intrinsically on the bond nature of the specimen and the ratio of T/Tm, where T is the temperature of operation.
	TO cite this article:Sun Changqing,L. K. Pan,C. M. Li. Impact of bond order loss on surface and nanosolid mechanics[OL].[29 June 2005] http://en.paper.edu.cn/en_releasepaper/content/2318


	2. Specific heat, strength, and maximal strain of atomic bond in a monatomic chain
	Sun Changqing
	Physics 28 June 2005
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	Abstract:Specific heat, strength, and maximal strain of atomic bond in an impurity-free monatomic chain.
	TO cite this article:Sun Changqing. Specific heat, strength, and maximal strain of atomic bond in a monatomic chain[OL].[28 June 2005] http://en.paper.edu.cn/en_releasepaper/content/2301

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	3. Oxidation bonding kinetics: BBB correlation and its application (digest)
	Sun Changqing
	Physics 27 June 2005
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	Abstract:This report focus on the recent progress in understanding the behaviour of atoms and valence electrons involved in the process of oxidation, and some technological development driven by the new knowledge. Supplementary multimedia movie showing four-stage Cu3O2 bonding kinetics and the full article are available at: http://www.ntu.edu.sg/home/ECQSun/Cu3O2-kinetics.swf http://www.ntu.edu.sg/home/ecqsun/rtf/JPMS.pdf
	TO cite this article:Sun Changqing. Oxidation bonding kinetics: BBB correlation and its application (digest)[OL].[27 June 2005] http://en.paper.edu.cn/en_releasepaper/content/2282


	4. Size dependence of nanostructures (digest)
	Sun Changqing
	Physics 27 June 2005
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	Abstract:A review is presented on the recent progress in understanding the mechanism behind the tunability of nanosoild materials with emphasis on its practical applications in nanosolid materials design. Attempt has been made to reconcile all detectable and tunable properties and all available models by incorporating an intensively verified bond order-length-strength (BOLS) correlation mechanism as origin to all possible mechanisms and the huge database of experimental observations.
	TO cite this article:Sun Changqing. Size dependence of nanostructures (digest)[OL].[27 June 2005] http://en.paper.edu.cn/en_releasepaper/content/2281


	5. Impact of bond-order loss on surface and nanosolid magnetism
	Sun Changqing
	Physics 23 June 2005
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	Abstract:Incorporating the recent bond order-length-strength correlation mechanism [Sun et al., Acta Mater 2004;52:501] into the Ising convention and the Brillouin function has enabled the unusual magnetic behavior of a ferromagnetic nanosolid and a surface to be reproduced using Monte Carlo simulations. Examination of the size and temperature dependence of the saturation magnetization (MS) of a solid of various structures reveals that: (i) at low temperatures, the MS increases inversely with solid size due to the contribution from the localized charges that are trapped by the deepened potential well of the lower-coordinated atoms in the surface skins, (ii) at the ambient temperatures, the MS drops with solid size because of the bond order loss that suppresses the Curie temperature of the specimen, and (iii) the quantized features of the surface to volume ratio of the solid is responsible for the observed MS oscillations of smaller clusters at low temperatures.
	TO cite this article:Sun Changqing. Impact of bond-order loss on surface and nanosolid magnetism[OL].[23 June 2005] http://en.paper.edu.cn/en_releasepaper/content/2263


	6. Dielectric suppression of nanosolid silicon
	Sun Changqing
	Physics 23 June 2005
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	Abstract:An analytical solution is presented showing that the dielectric susceptibility of a nanosolid depends functionally on the crystal binding that determine the band gap and hence the essential processes of electron polarization, and on the electron–phonon coupling that is often overlooked in theory considerations. The derived solution covers all the measured values of band gap expansion that is beyond the reach of available approaches. Consistency between predictions and impedance measurements evidences the impact of atomic coordination-number imperfection on the dielectric performance of nanometric semiconductors and the validity of the given solution.
	TO cite this article:Sun Changqing. Dielectric suppression of nanosolid silicon [OL].[23 June 2005] http://en.paper.edu.cn/en_releasepaper/content/2262


	7. Thermal stability of bare and embedded nanostructures
	Sun Changqing
	Physics 17 June 2005
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	Abstract:hermally stimulated process such as evaporation, phase transition, or solid-liquid transition of a solid consumes each a certain portion of the solid cohesive energy that is the sum of bond energy over all the coordinates of all the involved atoms. Generally, the critical temperatures for such processes drop with solid size, unless hetero capping or interfacial interaction becomes dominant, because of the increased portion of the lower-coordinated surface atoms [Sun et al., J. Phys. Chem. B108, 1080 (2004)]. It is intriguing, however, that the melting point (Tm) of a solid containing III-A or IV-A atoms oscillates with size (the Tm drops first and then rises as the solid size is reduced) and that the Tm of chemically capped nanosolid often increases with the inverse size. Here we show that bond nature evolution is essential for the selective nanosolids and at the junction interfaces, which is responsible for the superheating of the smallest nanosolids, chemically capped clusters, and
	TO cite this article:Sun Changqing. Thermal stability of bare and embedded nanostructures[OL].[17 June 2005] http://en.paper.edu.cn/en_releasepaper/content/2226


	8. Size-induced acoustic hardening and optic softening of phonons in nanostructures
	Sun Changqing
	Physics 17 June 2005
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	Abstract:t has been puzzling that the Raman optical modes shift to lower frequency (or termed as optical mode softening) associated with creation of Raman acoustic modes that shift to higher energy (or called as acoustic hardening) upon nanosolid formation and size reduction. Understandings of the mechanism behind the size-induced acoustic hardening and optic softening have been quite controversial. On the basis of the recent bond order-length-strength (BOLS) correlation [Phys. Rev. B 69 045105 (2004)], we show that the optical softening arises from atomic cohesive energy weakening of surface atoms and the acoustic mode hardening is predominated by intergrain interaction. Agreement between predictions and observations has been reached for Si, CdS, InP, TiO2, CeO2, and SnO2 nanostructures with elucidation of vibration frequency of the corresponding isolated dimers. Findings further evidence the impact of bond order loss to low-dimensional systems and the essentiality of the BOLS correlation in
	TO cite this article:Sun Changqing. Size-induced acoustic hardening and optic softening of phonons in nanostructures[OL].[17 June 2005] http://en.paper.edu.cn/en_releasepaper/content/2222


	9. Mechanical strength of atomic chains, surface skins, and nanograins
	Sun Chang Qing
	Physics 14 June 2005
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	Abstract:his report deals with the correlation between the mechanical strength and thermal stability of systems extending from monatomic chains to surface skins and solids over the whole range of sizes with emphasis on the significance of atomic coordination imperfection. Derived solutions show that a competition between the bond order loss and the associated bond strength gain of the lower coordinated atoms dictate the thermo-mechanics of the low dimensional systems. Bond order loss lowers the atomic cohesive energy that determines the temperature of melting (Tm), or the activation energy for atomic dislocation, whereas bond strength gain enhances the energy density, or mechanical strength, in the surface skin. Therefore, the surface is harder at T << Tm whereas the surface becomes softer when the T approaches the surface Tm that is lower than the bulk due to bond order loss. Hence, the strained nanostructures are usually stiffer at low T whereas the harder skins melt easier. Quantitative inf
	TO cite this article:Sun Chang Qing. Mechanical strength of atomic chains, surface skins, and nanograins[OL].[14 June 2005] http://en.paper.edu.cn/en_releasepaper/content/2200


	10. Molecular-Dynamics Study of the influences of Si-doping upon
	Haiyang Song,Heming Sun
	Physics 27 May 2005
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	Abstract:in this paper, a Si-doped armchaired single-walled carbon nanotube (SWCNT) (7, 7) and a perfect SWCNT (7, 7) are investigated using the classical molecular dynamics (MD) simulations method. The inter-atomic short-range interaction is represented by empirical Tersoff bond order potential. The computational results show that there is radius amplification in the Si-doped layer and the Young’s moduli of the Si-doped (7, 7) SWCNT is 1.015TPa and of the perfect (7, 7) SWCNT is 1.096 TPa, it is in good agreement with the existing experimental results. From our simulation, Si-doping decreases the Young’s modulus of SWCNT and with the increased strain levels, the effect of Si-doped layer in enhancing the local stress level increases.
	TO cite this article:Haiyang Song,Heming Sun. Molecular-Dynamics Study of the influences of Si-doping upon[OL].[27 May 2005] http://en.paper.edu.cn/en_releasepaper/content/2119

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