Categorization of atomic mixing patterns in bimetallic nanoparticles by the energy competition

2020 ◽  
Vol 22 (15) ◽  
pp. 7787-7793
Author(s):  
Kayoung Yun ◽  
Ho-Seok Nam ◽  
Seungchul Kim
Keyword(s):  
Surface Energy ◽  
Bimetallic Nanoparticles ◽  
Mixing Energy ◽  
Mixing Patterns ◽  
Atomic Mixing

The competition between mixing energy and surface energy determines atomic mixing pattern of bimetallic nanoparticles.

Universal description of heating-induced reshaping preference of core–shell bimetallic nanoparticles

Nanoscale ◽  
2019 ◽  
Vol 11 (3) ◽  
pp. 1386-1395 ◽  
Author(s):  
Zheng Zhao ◽  
Haoxiang Xu ◽  
Yi Gao ◽  
Daojian Cheng
Keyword(s):  
Theoretical Model ◽  
Surface Energy ◽  
Bimetallic Nanoparticles ◽  
Tight Binding ◽  
Atomic Scale ◽  
Core Shell ◽  
Molecular Dynamic Simulations ◽  
Dynamic Simulations ◽  
Atomic Size ◽  
Hamiltonian Model

To achieve universal description of the reshaping process of core–shell bimetallic nanoparticles, we combined the tight-binding Ising Hamiltonian model with molecular dynamic simulations to propose a general theoretical model at the atomic scale while considering the temperature, bond energy, atomic size, and surface energy effects.

scholarly journals REGULARITIES OF STRUCTURE FORMATION IN BIMETALLIC NANOPARTICLES WITH DIFFERENT CRYSTALLIZATION TEMPERATURES

2021 ◽  
pp. 568-579
Author(s):  
Владимир Сергеевич Мясниченко ◽  
Павел Михайлович Ершов ◽  
Ксения Геннадьевна Савина ◽  
Алексей Дмитриевич Веселов ◽  
Сергей Сергеевич Богданов ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Structure Formation ◽  
Crystallization Temperature ◽  
Bimetallic Nanoparticles ◽  
Structural Transformations ◽  
Atomic Size ◽  
Mixing Energy ◽  
Low Concentrations ◽  
Concentration Dependences ◽  
The Given

В данной работе исследуются закономерности структурообразования на примере биметаллических наночастиц Au - Ag, Ti - Al, Ti - V. Данные биметаллические наночастицы обладают различным размерным несоответствием и различной температурой кристаллизации. Проведены серии молекулярно-динамических экспериментов, по результатам которых проанализированы конечные конфигурации с наименьшей энергией и получены концентрационные зависимости энергии смешения. Анализ концентрационных зависимостей энергии смешения позволяет прогнозировать составы и размеры биметаллических наночастиц, которые могут проявлять нестабильность, как например для биметаллических наночастиц Ti - V. Асимметричность отдельных концентрационных зависимостей энергии смешения свидетельствуют о специфических структурных превращениях, характерных именно для данного состава и размера. Установлено, что для биметаллических наночастиц Au - Ag, Ti - Al характерна структурная сегрегация, и она активно проявляется при малых концентрациях более легкоплавкого компонента. Конкурирующими фазами в данном случае выступают ГЦК и ГПУ фазы. Кроме того, для средних из рассматриваемых в статье размеров исследована зависимость температуры кристаллизации от состава биметаллических наночастиц. In this work, of the structure formation was investigated using Au - Ag, Ti - Al, Ti - V bimetallic nanoparticles as the patterns. These bimetallic nanoparticles have different atomic size mismatches and different crystallization temperatures. A series of molecular dynamics experiments was carried out. Based on their results, the final configurations with the lowest energy were analyzed and the concentration dependences of the mixing energy were obtained. An analysis of the concentration dependences of the mixing energy makes it possible to predict the compositions and sizes of bimetallic nanoparticles, which can exhibit instability, such as for Ti - V bimetallic nanoparticles. The asymmetry of individual concentration dependences of the mixing energy is evidence of specific structural transformations characteristic for the given composition and size. It has been established that structural segregation is characteristic for Au - Ag,Ti - Al bimetallic nanoparticles and it is actively manifested at low concentrations of a more low-melting component. The competing phases in this case are fcc and hcp phases. In addition, for the average sizes considered in the article, the dependence of the crystallization temperature on the composition of bimetallic nanoparticles was investigated.

scholarly journals Direct Measurement of the Surface Energy of Bimetallic Nanoparticles: Evidence of Vegard’s Rulelike Dependence

2018 ◽  
Vol 120 (2) ◽  
Author(s):  
Adrian Chmielewski ◽  
Jaysen Nelayah ◽  
Hakim Amara ◽  
Jérôme Creuze ◽  
Damien Alloyeau ◽  
...  
Keyword(s):  
Surface Energy ◽  
Direct Measurement ◽  
Bimetallic Nanoparticles

Ion Beam Induced Interfacial Reactions in Molybdenum Thin Films on Silicon

1981 ◽  
Vol 39 ◽  
pp. 162-163
Author(s):  
L. J. Chen ◽  
L. S. Hung ◽  
J. W. Mayer
Keyword(s):  
Ion Beam ◽  
Chemical Vapor ◽  
Interfacial Reactions ◽  
Practical Applications ◽  
Microelectronic Devices ◽  
Recent Emergence ◽  
Chemical Vapor Deposited ◽  
Atomic Mixing ◽  
Silicon Interface ◽  
Kinetics Of

When an energetic ion penetrates through an interface between a thin film (of species A) and a substrate (of species B), ion induced atomic mixing may result in an intermixed region (which contains A and B) near the interface. Most ion beam mixing experiments have been directed toward metal-silicon systems, silicide phases are generally obtained, and they are the same as those formed by thermal treatment.Recent emergence of silicide compound as contact material in silicon microelectronic devices is mainly due to the superiority of the silicide-silicon interface in terms of uniformity and thermal stability. It is of great interest to understand the kinetics of the interfacial reactions to provide insights into the nature of ion beam-solid interactions as well as to explore its practical applications in device technology.About 500 Å thick molybdenum was chemical vapor deposited in hydrogen ambient on (001) n-type silicon wafer with substrate temperature maintained at 650-700°C. Samples were supplied by D. M. Brown of General Electric Research & Development Laboratory, Schenectady, NY.

The annealed (0001) α-alumina surface and its influence on thin-film growth

1995 ◽  
Vol 53 ◽  
pp. 336-337
Author(s):  
Michael W. Bench ◽  
Paul G. Kotula ◽  
C. Barry Carter
Keyword(s):  
Electron Microscopy ◽  
Surface Energy ◽  
Film Growth ◽  
Thin Film Growth ◽  
Energy Calculations ◽  
Transmission Electron ◽  
Reflection Electron Microscopy ◽  
Low Energy Electron ◽  
Surface Nature

The growth of semiconductors, superconductors, metals, and other insulators has been investigated using alumina substrates in a variety of orientations. The surface state of the alumina (for example surface reconstruction and step nature) can be expected to affect the growth nature and quality of the epilayers. As such, the surface nature has been studied using a number of techniques including low energy electron diffraction (LEED), reflection electron microscopy (REM), transmission electron microscopy (TEM), molecular dynamics computer simulations, and also by theoretical surface energy calculations. In the (0001) orientation, the bulk alumina lattice can be thought of as a layered structure with A1-A1-O stacking. This gives three possible terminations of the bulk alumina lattice, with theoretical surface energy calculations suggesting that termination should occur between the Al layers. Thus, the lattice often has been described as being made up of layers of (Al-O-Al) unit stacking sequences. There is a 180° rotation in the surface symmetry of successive layers and a total of six layers are required to form the alumina unit cell.

The nucleation of cavities at grain boundaries

1987 ◽  
Vol 45 ◽  
pp. 288-291
Author(s):  
P. J. Goodhew
Keyword(s):  
Surface Tension ◽  
Surface Energy ◽  
Grain Boundaries ◽  
Radiation Damage ◽  
Impurity Concentration ◽  
Driving Force ◽  
Nucleation And Growth ◽  
Phase Boundaries ◽  
Cavity Nucleation ◽  
Spherical Bubble

Cavity nucleation and growth at grain and phase boundaries is of concern because it can lead to failure during creep and can lead to embrittlement as a result of radiation damage. Two major types of cavity are usually distinguished: The term bubble is applied to a cavity which contains gas at a pressure which is at least sufficient to support the surface tension (2g/r for a spherical bubble of radius r and surface energy g). The term void is generally applied to any cavity which contains less gas than this, but is not necessarily empty of gas. A void would therefore tend to shrink in the absence of any imposed driving force for growth, whereas a bubble would be stable or would tend to grow. It is widely considered that cavity nucleation always requires the presence of one or more gas atoms. However since it is extremely difficult to prepare experimental materials with a gas impurity concentration lower than their eventual cavity concentration there is little to be gained by debating this point.

Influence of Fiber Surface Energy on Mechanical Properties of Sisal Fiber - Bio Based Epoxy Composites

2019 ◽  
Vol 35 (4) ◽  
pp. 485-496
Author(s):  
S. RAJKUMAR ◽  
◽  
R. JOSEPH BENSINGH ◽  
M. ABDUL KADER ◽  
SANJAY K NAYAK ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Surface Energy ◽  
Fiber Surface ◽  
Epoxy Composites ◽  
Sisal Fiber

Surface energy of cellulosic materials: The effect of particle morphology, particle size, and hydroxyl number

TAPPI Journal ◽  
2015 ◽  
Vol 14 (9) ◽  
pp. 565-576 ◽  
Author(s):  
YUCHENG PENG ◽  
DOUGLAS J. GARDNER
Keyword(s):  
Particle Size ◽  
Surface Energy ◽  
Particle Morphology ◽  
Nanofibrillated Cellulose ◽  
Particle Sizes ◽  
Hydroxyl Number ◽  
Small Individual ◽  
Dispersion Component ◽  
Commercial Applications ◽  
Lower Temperature

Understanding the surface properties of cellulose materials is important for proper commercial applications. The effect of particle size, particle morphology, and hydroxyl number on the surface energy of three microcrystalline cellulose (MCC) preparations and one nanofibrillated cellulose (NFC) preparation were investigated using inverse gas chromatography at column temperatures ranging from 30ºC to 60ºC. The mean particle sizes for the three MCC samples and the NFC sample were 120.1, 62.3, 13.9, and 9.3 μm. The corresponding dispersion components of surface energy at 30°C were 55.7 ± 0.1, 59.7 ± 1.3, 71.7 ± 1.0, and 57.4 ± 0.3 mJ/m2. MCC samples are agglomerates of small individual cellulose particles. The different particle sizes and morphologies of the three MCC samples resulted in various hydroxyl numbers, which in turn affected their dispersion component of surface energy. Cellulose samples exhibiting a higher hydroxyl number have a higher dispersion component of surface energy. The dispersion component of surface energy of all the cellulose samples decreased linearly with increasing temperature. MCC samples with larger agglomerates had a lower temperature coefficient of dispersion component of surface energy.

A new method for quantifying the blocking of coated paperboard

TAPPI Journal ◽  
2010 ◽  
Vol 9 (5) ◽  
pp. 29-35 ◽  
Author(s):  
PAULINE SKILLINGTON ◽  
YOLANDE R. SCHOEMAN ◽  
VALESKA CLOETE ◽  
PATRICE C. HARTMANN
Keyword(s):  
Surface Roughness ◽  
Fatty Acid ◽  
Surface Energy ◽  
Film Thickness ◽  
External Factors ◽  
Additive Concentration ◽  
Pressure Surface ◽  
Fatty Acid Amides ◽  
Coated Surfaces ◽  
Definite Period

Blocking is undesired adhesion between two surfaces when subjected to pressure and temperature constraints. Blocking between two coated paperboards in contact with each other may be caused by inter-diffusion, adsorption, or electrostatic forces occurring between the respective coating surfaces. These interactions are influenced by factors such as the temperature, pressure, surface roughness, and surface energy. Blocking potentially can be reduced by adjusting these factors, or by using antiblocking additives such as talc, amorphous silica, fatty acid amides, or polymeric waxes. We developed a method of quantifying blocking using a rheometer. Coated surfaces were put in contact with each other with controlled pressure and temperature for a definite period. We then measured the work necessary to pull the two surfaces apart. This was a reproducible way to accurately quantify blocking. The method was applied to determine the effect external factors have on the blocking tendency of coated paperboards, i.e., antiblocking additive concentration, film thickness, temperature, and humidity.

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