Theoretical phase diagrams of nanowires

Abudukelimu, G.; Guisbiers, Grégory; Wautelet, M.

doi:10.1557/jmr.2006.0345

Cited by 26 publications

(32 citation statements)

References 39 publications

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“…Since the works of Alivisatos and co-workers, 77,78 there has been a huge database showing consistently that the critical pressure (P C ) for the transition from the less-coordinated structural phase to the denser structures increases with the reduction of crystal size. For the bulk CdSe, the transition pressure is 2.5 GPa but when the size is reduced to 1-3 nanometres across, the transition pressure increases to a value of 5 GPa.…”

Section: Coordination Temperature and Pressure Couplingmentioning

confidence: 99%

Dominance of broken bonds and nonbonding electrons at the nanoscale

2010

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Although they exist ubiquitously in human bodies and our surroundings, the impact of nonbonding lone electrons and lone electron pairs has long been underestimated. Recent progress demonstrates that: (i) in addition to the shorter and stronger bonds between under-coordinated atoms that initiate the size trends of the otherwise constant bulk properties when a substance turns into the nanoscale, the presence of lone electrons near to broken bonds generates fascinating phenomena that bulk materials do not demonstrate; (ii) the lone electron pairs and the lone pair-induced dipoles associated with C, N, O, and F tetrahedral coordination bonding form functional groups in biological, organic, and inorganic specimens. By taking examples of surface vacancy, atomic chain end and terrace edge states, catalytic enhancement, conducting-insulating transitions of metal clusters, defect magnetism, Coulomb repulsion at nanoscale contacts, Cu(3)C(2)H(2) and Cu(3)O(2) surface dipole formation, lone pair neutralized interface stress, etc, this article will focus on the development and applications of theory regarding the energetics and dynamics of nonbonding electrons, aiming to raise the awareness of their revolutionary impact to the society. Discussion will also extend to the prospective impacts of nonbonding electrons on mysteries such as catalytic enhancement and catalysts design, the density anomalies of ice and negative thermal expansion, high critical temperature superconductivity induced by B, C, N, O, and F, the molecular structures and functionalities of CF(4) in anti-coagulation of synthetic blood, NO signaling, and enzyme telomeres, etc. Meanwhile, an emphasis is placed on the necessity and effectiveness of understanding the properties of substances from the perspective of bond and nonbond formation, dissociation, relaxation and vibration, and the associated energetics and dynamics of charge repopulation, polarization, densification, and localization. Finding and grasping the factors controlling the nonbonding states and making them of use in functional materials design and identifying their limitations will form, in the near future, a subject area of "nonbonding electronics and energetics", which could be even more challenging, fascinating, promising, and rewarding than dealing with core or valence electrons alone.

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Section: Coordination Temperature and Pressure Couplingmentioning

confidence: 99%

Dominance of broken bonds and nonbonding electrons at the nanoscale

2010

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“…1,2 In relation to this, extensive studies have been performed on the effects of nanowire size on thermal stability, 3 Young's modulus, 4 tensile/yield strengths, 5 and melting/freezing temperature. [6][7][8][9] Metallic nanowires ͑NWs͒ are candidate materials for passive interconnects in future nanodevices, and understanding of the size-dependent thermal stability as well as the melting features is a key element to realizing good metallurgical bonding and reliability of NW interconnects.…”

mentioning

confidence: 99%

“…[11][12][13][14][15] A similar relation between melting point and radius holds for nanowires, even though T NW is typically higher than T NP . 8,9,16 Cylindrical nanowires are energetically unstable, as noted by several authors, [17][18][19] and break into nanoparticles when the wire length exceeds the circumference and perturbations of the cylindrical radius occur; this is known as the Rayleigh instability. Recently, it was reported that metallic nanowires such as Au and Cu are periodically fragmented at temperatures lower than their melting points, 20,21 a characteristic that could be applied to patterning well-ordered metallic nanostructures.…”

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confidence: 99%

Size-dependent thermal instability and melting behavior of Sn nanowires

Shin

Song

2007

Applied Physics Letters

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Thermal instability and melting behavior of tin nanowires were studied with a decrease of wire radius(rNW=7–30nm) via differential scanning calorimetry (DSC). Two sequential DSC measurements showed a 1∕rNW dependency of the melting temperature depression; the first melting temperature decreased from 502to486K with 1∕rNW whereas the second one was more depressed between 0.8 and 5K. The melting temperature difference between the first and second cycles increased linearly with 1∕rNW. This variation was attributed to fragmentation of nanowires due to Rayleigh instability. Here, fragmentation of long nanowires was suppressed by a template confinement, resulting in the formation of short nanorods.

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“…Как уже отмечалось нами ранее в статье [1], размерная зависимость температуры плавления 1D  объектов (нанопроволок, нанонитей), в том числе бинарных, исследовалась в гораздо меньшей степени, чем температуры плавления 0D  объектов (наночастиц). Вместе с тем, в таких работах, как [2,3] представлены формулы для расчета размерных зависимостей температур плавления нанонитей. Эти формулы можно рассматривать как аналоги известной формулы Томсона [4,5], т.к.…”

Section: Introductionunclassified

Melting of Binary Metal Nanowires: Molecular Dynamics Simulation

Vasilyev¹,

Kartoshkin²,

Samsonov³

et al. 2019

pcascnn

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Рецензирование статей осуществляется на основании Положения о рецензировании статей и материалов для опубликования в Межвузовском сборнике научных трудов «Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов». Официальный сайт издания в сети Интернет: https://www.physchemaspects.ru Ф50 Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов [Текст].  Тверь: Твер. гос. ун-т, 2019.  Вып. 11.  680 с. Зарегистрирован Федеральной службой по надзору в сфере связи, информационных технологий и массовых коммуникаций, свидетельство о регистрации СМИ ПИ № ФС 7747789 от 13.12.2011. Издание составлено из оригинальных статей, кратких сообщений и обзоров теоретического и экспериментального характера, отражающих результаты исследований в области изучения физико-химических процессов с участием кластеров, наноструктур и наноматериалов физики, включая межфазные явления и нанотермодинамику. Сборник предназначен для научных и инженерно-технических работников, преподавателей ВУЗов, студентов и аспирантов. Издание подготовлено на кафедре общей физики Тверского государственного университета. Переводное название: Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials Транслитерация названия: Fiziko-himičeskie aspekty izučeniâ klasterov, nanostruktur i nanomaterialov

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Theoretical phase diagrams of nanowires

Cited by 26 publications

References 39 publications

Dominance of broken bonds and nonbonding electrons at the nanoscale

Dominance of broken bonds and nonbonding electrons at the nanoscale

Size-dependent thermal instability and melting behavior of Sn nanowires

Melting of Binary Metal Nanowires: Molecular Dynamics Simulation

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