Tetragonal Phase Transformation in Gold Nanowires

2004 ◽  
Vol 127 (4) ◽  
pp. 417-422 ◽  
Author(s):  
Ken Gall ◽  
Jiankuai Diao ◽  
Martin L. Dunn ◽  
Michael Haftel ◽  
Noam Bernstein ◽  
...  
Keyword(s):  
Phase Transformation ◽  
Tetragonal Phase ◽  
Tight Binding ◽  
Gold Nanowires ◽  
Face Centered Cubic ◽  
First Principle ◽  
Local Energy Minimum ◽  
Surface Stresses ◽  
Embedded Atom ◽  
Theoretical Approaches

First principle, tight binding, and semi-empirical embedded atom calculations are used to investigate a tetragonal phase transformation in gold nanowires. As wire diameter is decreased, tight binding and modified embedded atom simulations predict a surface-stress-induced phase transformation from a face-centered-cubic (fcc) ⟨100⟩ nanowire into a body-centered-tetragonal (bct) nanowire. In bulk gold, all theoretical approaches predict a local energy minimum at the bct phase, but tight binding and first principle calculations predict elastic instability of the bulk bct phase. The predicted existence of the stable bct phase in the nanowires is thus attributed to constraint from surface stresses. The results demonstrate that surface stresses are theoretically capable of inducing phase transformation and subsequent phase stability in nanometer scale metallic wires under appropriate conditions.

Stability and Structural Transition of Gold Nanowires under Their Own Surface Stresses

2004 ◽  
Vol 854 ◽  
Author(s):  
Ken Gall ◽  
Michael Haftel ◽  
Jiankuai Diao ◽  
Martin L. Dunn ◽  
Noam Bernstein ◽  
...  
Keyword(s):  
Phase Transformation ◽  
Tight Binding ◽  
Gold Nanowires ◽  
Face Centered Cubic ◽  
First Principle ◽  
Local Energy Minimum ◽  
Surface Stresses ◽  
Embedded Atom ◽  
Theoretical Approaches ◽  
Face Centered

ABSTRACTFirst-principle, tight binding, and semi-empirical embedded atom calculations are used to investigate a tetragonal phase transformation in gold nanowires. As wire diameter is decreased, tight binding and modified embedded atom simulations predict a surface-stress-induced phase transformation from a face-centered-cubic (fcc) <100> nanowire into a body-centered-tetragonal (bct) nanowire. In bulk gold, all theoretical approaches predict a local energy minimum at the bct phase, but tight binding and first principle calculations predict elastic instability of the bulk bct phase. The predicted existence of the stable bct phase in the nanowires is thus attributed to constraint from surface stresses. The results demonstrate that surface stresses are theoretically capable of inducing phase transformation and subsequent phase stability in nanometer scale metallic wires under appropriate conditions.

Ferroelectric Domain Structure of Pb(Zr.52Ti.48)03

1980 ◽  
Vol 38 ◽  
pp. 214-215
Author(s):  
E.K. Goo ◽  
R.K. Mishra
Keyword(s):  
Phase Transformation ◽  
Domain Structure ◽  
Tetragonal Phase ◽  
Ferroelectric Domain ◽  
Cubic Phase ◽  
Ion Milling ◽  
Thin Foils ◽  
Ferroelectric Domain Structure ◽  
Ferroelectric Domains

Ferroelectric domains are twins that are formed when PZT undergoes a phase transformation from a non-ferroelectric cubic phase to a ferroelectric tetragonal phase upon cooling below ∼375°C.,1 The tetragonal phase is spontaneously polarized in the direction of c-axis, making each twin a ferroelectric domain. Thin foils of polycrystalline Pb (Zr.52Ti.48)03 were made by ion milling and observed in the Philips EM301 with a double tilt stage.

Phase transformation and preferred orientation in carboxylate derived ZrO2 thin films on silicon substates

1992 ◽  
Vol 7 (11) ◽  
pp. 3065-3071 ◽  
Author(s):  
Peir-Yung Chu ◽  
Isabelle Campion ◽  
Relva C. Buchanan
Keyword(s):  
Thin Films ◽  
Heat Treatment ◽  
Phase Transformation ◽  
Heating Rate ◽  
Tetragonal Phase ◽  
Monoclinic Phase ◽  
Preferred Orientation ◽  
Si Substrate ◽  
Interfacial Diffusion ◽  
Deposited Films

Phase transformation and preferred orientation in ZrO2 thin films, deposited on Si(111) and Si(100) substrates, and prepared by heat treatment from carboxylate solution precursors were investigated. The deposited films were amorphous below 450 °C, transforming gradually to the tetragonal and monoclinic phases on heating. The monoclinic phase developed from the tetragonal phase displacively, and exhibited a strong (111) preferred orientation at temperature as low as 550 °C. The degree of preferred orientation and the tetragonal-to-monoclinic phase transformation were controlled by heating rate, soak temperature, and time. Interfacial diffusion into the film from the Si substrate was negligible at 700 °C and became significant only at 900 °C, but for films thicker than 0.5 μm, overall preferred orientation exceeded 90%.

Structure and Elastic Properties of Ni/Cu and Ni/Au Multilayers

1992 ◽  
Vol 291 ◽  
Author(s):  
Ademola Taiwo ◽  
Hong Yan ◽  
Gretchen Kalonji
Keyword(s):  
Phase Transformation ◽  
Elastic Properties ◽  
Embedded Atom Method ◽  
Interatomic Potentials ◽  
Multilayer Systems ◽  
Lattice Statics ◽  
Embedded Atom ◽  
Hcp Structure ◽  
Fcc Structure ◽  
Coherent Interfaces

ABSTRACTThe structure and elastic properties of Ni/Cu and Ni/Au multilayer systems are investigated as a function of the number of Ni monolayers built into the systems. We employed lattice statics simulations with the interatomic potentials described by the embedded-atom method. For the Ni/Cu systems, coherent interfaces and FCC structure are maintained, and no elastic anomaly is found. For the Ni/Au systems, when the Ni layers are thick enough, they undergo a strain-induced phase transformation from FCC to HCP structure. An enhancement of Young’s modulus of these systems is found to be associated with this structural change.

scholarly journals Nucleation barriers at corners for a cubic-to-tetragonal phase transformation

2015 ◽  
Vol 145 (4) ◽  
pp. 715-724 ◽  
Author(s):  
Peter Bella ◽  
Michael Goldman
Keyword(s):  
Phase Transformation ◽  
Tetragonal Phase ◽  
Scaling Law ◽  
Energetic Cost ◽  
Minimal Energy ◽  
Physical Experiments ◽  
Domain With A Corner ◽  
Appl Math ◽  
Good Agreement

We are interested in the energetic cost of a martensitic inclusion of volume V in austenite for the cubic-to-tetragonal phase transformation. In contrast with the work of Knüpfer, Kohn and Otto (Commun. Pure Appl. Math.66 (2013), 867–904), we consider a domain with a corner and obtain a better scaling law for the minimal energy (Emin ∼ min(V2/3, V7/9)). Our predictions are in good agreement with physical experiments where nucleation of martensite is usually observed near the corners of the specimen.

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