Estimation of the activation energy for surface diffusion during metastable phase formation

Chang, Keke; Baben, Moritz to; Mušić, Denis; Lange, Dennis; Bolvardi, Hamid; Schneider, Jochen M.

doi:10.1016/j.actamat.2015.07.029

Cited by 50 publications

(44 citation statements)

References 59 publications

(75 reference statements)

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“…Experimental phase formation data in the Cu–W thin films were obtained,[19] as shown in Figure 2(a). The maximum solid solubility limit of Cu in bcc-W is found to be approx.…”

Section: Resultsmentioning

confidence: 99%

“…More information about deposition setup can be found elsewhere. [19] Composition of the samples was analyzed with a scanning electron microscope (SEM; JEOL JSM 6480, JEOL Ltd., Tokyo, Japan) equipped with an EDAX2000 energy dispersive X-ray spectrometer (EDX, EDAX Inc., Mahwah, NJ, USA). The thin film thickness was measured by cross-sectional SEM and the deposition rate was calculated by dividing film thickness by deposition time.…”

Section: Experimental and Theoretical Methodsmentioning

confidence: 99%

“…[16–18] Together with experimental phase formation data, ab initio data has recently been employed to estimate the activation energy for surface diffusion during metastable phase formation. [19] It was demonstrated for sputtered Cu–W thin films that the activation energy data obtained [19] can be utilized to calculate the surface diffusion distance using Equation (2). Recently, attention has been given to immiscible Cu–W and Cu–V systems (for which phase diagrams are shown in Figure 1).…”

Section: Introductionmentioning

confidence: 99%

“…The aims of the present work are (1) to develop a model with which to describe the relationship between solubilities and critical diffusion distances based on experimental phase formation data,[19] (2) to predict metastable Cu–W and Cu–V phase formation diagrams and (3) to validate these predictions using additional thin film growth and characterization experiments.…”

Section: Introductionmentioning

confidence: 99%

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Modeling of metastable phase formation diagrams for sputtered thin films

Chang

Mušić

Baben

et al. 2016

Science and Technology of Advanced Materials

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A method to model the metastable phase formation in the Cu–W system based on the critical surface diffusion distance has been developed. The driver for the formation of a second phase is the critical diffusion distance which is dependent on the solubility of W in Cu and on the solubility of Cu in W. Based on comparative theoretical and experimental data, we can describe the relationship between the solubilities and the critical diffusion distances in order to model the metastable phase formation. Metastable phase formation diagrams for Cu–W and Cu–V thin films are predicted and validated by combinatorial magnetron sputtering experiments. The correlative experimental and theoretical research strategy adopted here enables us to efficiently describe the relationship between the solubilities and the critical diffusion distances in order to model the metastable phase formation during magnetron sputtering.

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“…Experimental phase formation data in the Cu–W thin films were obtained,[19] as shown in Figure 2(a). The maximum solid solubility limit of Cu in bcc-W is found to be approx.…”

Section: Resultsmentioning

confidence: 99%

Section: Experimental and Theoretical Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Modeling of metastable phase formation diagrams for sputtered thin films

Chang

Mušić

Baben

et al. 2016

Science and Technology of Advanced Materials

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“…332-341). In an attempt to quantify these barriers experimentally during vapor deposition at far-from-equilibrium conditions, they have instead been averaged into a single effective adatom surface diffusion barrier [103].…”

Section: Miscible and Immiscible Systemsmentioning

confidence: 99%

Nanoscale structure forming processes : Metal thin films grown far-from-equilibrium

Elofsson¹

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The cover image shows a high angle annular dark field scanning transmission electron microscopy micrograph of elongated Ag-Cu atomic islands supported on a SiO 2 substrate. Intensity variation within each island stems from mass contrast caused by segregation into Ag-and Cu-rich domains. Image courtesy of Dr. Robert D. Boyd.During the course of research underlying this thesis, Viktor Elofsson was enrolled in Agora Materiae, a multidisciplinary doctoral program at Linköping University, Sweden.© Viktor Elofsson, unless otherwise stated. Printed by LiU-Tryck, Linköping, 2016. Till mormor. AbstractThin film growth from the vapor phase has for a long time intrigued researchers endeavouring to unravel and understand atomistic surface processes that govern film formation. Their motivation has not been purely scientific, but also driven by numerous applications where this understanding is paramount to knowledge-based design of novel film materials with tailored properties.Within the above framework, this thesis investigates growth of metal films on weakly bonding substrates, a combination of great relevance for applications concerning e.g., catalysis, graphene metallization and architectural glazing. When metal vapor condenses on weakly bonding substrates three dimensional islands nucleate, grow and coalesce prior to forming a continuous film. The combined effect of these initial growth stages on film formation and morphology evolution is studied using pulsed vapor fluxes for the model system Ag/SiO 2 . It is shown that the competition between island growth and coalescence completion determines structure evolution. The effect of the initial growth stages on film formation is also examined for the tilted columnar microstructure obtained when vapor arrives at an angle that deviates from the substrate surface normal. This is done using two metals with distinctly different nucleation behaviour, and the findings suggest that the column tilt angle is set by nucleation conditions in conjunction with shadowing of the vapor flux by adjacent islands. Vapor arriving at an angle can in addition result in films that exhibit preferred crystallographic orientations, both out-of-plane and in-plane. Their emergence is commonly described by an evolutionary growth model, which for some materials predict a double in-plane alignment that has not been observed experimentally. Here, an experiment is designed to replicate the model's growth conditions, confirming the existence of double in-plane alignment.New and added film functionalities can further be unlocked by alloying. Properties are then largely set by chemistry and atomic arrangement, where the latter can be affected by thermodynamics, kinetics and vapor flux modulation. Their combined effect on atomic arrangement is here unravelled by presenting a research methodology that encompasses high resolution vapor flux modulation, nanoscale structure v vi probes and growth simulations. The methodology is deployed to study the immiscible Ag-Cu and miscible Ag-Au model systems, for which it...

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Data‐Driven Materials Research and Development for Functional Coatings

Xu,

Xiao,

Wang

et al. 2024

Advanced Science

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Functional coatings, including organic and inorganic coatings, play a vital role in various industries by providing a protective layer and introducing unique functionalities. However, its design often involves time‐consuming experimentation with multiple materials and processing parameters. To overcome these limitations, data‐driven approaches are gaining traction in materials science. In this paper, recent advances in data‐driven materials research and development (R&D) for functional coatings, highlighting the importance, data sources, working processes, and applications of this paradigm are summarized. It is begun by discussing the challenges of traditional methods, then introduce typical data‐driven processes. It is demonstrated how data‐driven approaches enable the identification of correlations between input parameters and coating performance, thus allowing for efficient prediction and design. Furthermore, carefully selected case studies are presented across diverse industries that exemplify the effectiveness of data‐driven methods in accelerating the discovery of new functional coatings with tailored properties. Finally, the emerging research directions, involving integrating advanced techniques and data from different sources, are addressed. Overall, this review provides an overview of data‐driven materials R&D for functional coatings, shedding light on its potential and future developments.

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Estimation of the activation energy for surface diffusion during metastable phase formation

Cited by 50 publications

References 59 publications

Modeling of metastable phase formation diagrams for sputtered thin films

Modeling of metastable phase formation diagrams for sputtered thin films

Nanoscale structure forming processes : Metal thin films grown far-from-equilibrium

Data‐Driven Materials Research and Development for Functional Coatings

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