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result(s) for
"400 Modeling / Simulations"
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New development of atomic layer deposition: processes, methods and applications
by
Oviroh, Peter Ozaveshe
,
Pan, Dongqing
,
Akbarzadeh, Rokhsareh
in
10 Engineering and Structural materials
,
102 Porous / Nanoporous / Nanostructured materials
,
306 Thin film / Coatings
2019
Atomic layer deposition (ALD) is an ultra-thin film deposition technique that has found many applications owing to its distinct abilities. They include uniform deposition of conformal films with controllable thickness, even on complex three-dimensional surfaces, and can improve the efficiency of electronic devices. This technology has attracted significant interest both for fundamental understanding how the new functional materials can be synthesized by ALD and for numerous practical applications, particularly in advanced nanopatterning for microelectronics, energy storage systems, desalinations, catalysis and medical fields. This review introduces the progress made in ALD, both for computational and experimental methodologies, and provides an outlook of this emerging technology in comparison with other film deposition methods. It discusses experimental approaches and factors that affect the deposition and presents simulation methods, such as molecular dynamics and computational fluid dynamics, which help determine and predict effective ways to optimize ALD processes, hence enabling the reduction in cost, energy waste and adverse environmental impacts. Specific examples are chosen to illustrate the progress in ALD processes and applications that showed a considerable impact on other technologies.
Journal Article
Constitutive modelling of hot deformation behaviour of a CoCrFeMnNi high-entropy alloy
by
Peura, Pasi
,
Saastamoinen, Ari
,
Somani, Mahesh C.
in
106 Metallic materials
,
400 Modeling/Simulations
,
Accuracy
2020
Models describing the constitutive flow behaviour of a metallic material are desired for appropriate process design and realization of defect-free components. In this study, constitutive equations based on the hyperbolic-sinusoidal Arrhenius-type model have been developed to define the hot deformation characteristics of a CoCrFeMnNi high-entropy alloy. The experimental true stress-true strain data were generated over a wide temperature (1023-1423 K) and strain rates (10
−3
-10 s
−1
) ranges. The impact of strain rate and temperature on deformation behaviour was further characterized through a temperature compensated strain rate parameter, i.e. Zener-Hollomon parameter. Additionally, a mathematical relation was employed to express the influence of various material constants on true-strain ranging from 0.2 to 0.75. Typical third order polynomial relations were found to be appropriate to fit the true-strain dependency of these material constants. The accuracy of the developed constitutive equations was evaluated by using the average absolute relative error (AARE) and correlation coefficient (R); the obtained values were 7.63% and 0.9858, respectively, suggesting reasonable predictions. These results demonstrate that the developed constitutive equations can predict the flow stress behaviour of the alloy with a good accuracy over a wide range of temperature and strain rate conditions and for large strains.
Journal Article
MEMS vibrational energy harvesters
by
Honma, Hiroaki
,
Ji, Chang-Hyeon
,
Ju, Suna
in
201 Electronics / Semiconductor / TCOs
,
206 Energy conversion / transport / storage / recovery
,
208 Sensors and actuators
2019
In this paper, we look into the fundamental mechanism to retrieve the power from physical vibrations by using microelectromechanical systems (MEMS) energy harvesters. An analytical model is presented for the velocity-damped resonant generator (VDRG) that delivers electrical power through the power enhancement mechanism using the mechanical resonance of a suspended mass. Deliverable power is also analytically discussed with respect to the theoretical limit, and a view to understand the VDRG behaviors is presented in association with the impedance matching condition and the quality factors. Mechano-electric power conversions including electrostatic induction, electromagnetic induction, and piezoelectric effect are discussed to study the scaling effect. Recent examples of MEMS VDRGs are reviewed and evaluated in terms of the power density.
Journal Article
Thermal rejuvenation in metallic glasses
by
Wakeda, Masato
,
Saida, Junji
,
Ogata, Shigenobu
in
10 Engineering and Structural materials
,
106 Metallic materials
,
302 Crystallization / Heat treatment / Crystal growth
2017
Structural rejuvenation in metallic glasses by a thermal process (i.e. through recovery annealing) was investigated experimentally and theoretically for various alloy compositions. An increase in the potential energy, a decrease in the density, and a change in the local structure as well as mechanical softening were observed after thermal rejuvenation. Two parameters, one related to the annealing temperature, T
a
/T
g
, and the other related to the cooling rate during the recovery annealing process, V
c
/V
i
, were proposed to evaluate the rejuvenation phenomena. A rejuvenation map was constructed using these two parameters. Since the thermal history of metallic glasses is reset above 1.2T
g
, accompanied by a change in the local structure, it is essential that the condition of T
a
/T
g
≥ 1.2 is satisfied during annealing. The glassy structure transforms into a more disordered state with the decomposition of icosahedral short-range order within this temperature range. Therefore, a new glassy structure (rejuvenation) depending on the subsequent quenching rate is generated. Partial rejuvenation also occurs in a Zr
55
Al
10
Ni
5
Cu
30
bulk metallic glass when annealing is performed at a low temperature (T
a
/T
g
~ 1.07) followed by rapid cooling. This behavior probably originates from disordering in the weakly bonded (loosely packed) region. This study provides a novel approach to improving the mechanical properties of metallic glasses by controlling their glassy structure.
Journal Article
Recent advances in two-dimensional ferromagnetism: strain-, doping-, structural- and electric field-engineering toward spintronic applications
by
Yu, Sheng
,
Wang, Xinzhong
,
Tang, Junyu
in
105 Low-Dimension (1D/2D) materials < 100 Materials
,
203 Magnetics/Spintronics/Superconductors < 200 Applications
,
40 Optical
2022
Since the first report on truly two-dimensional (2D) magnetic materials in 2017, a wide variety of merging 2D magnetic materials with unusual physical characteristics have been discovered and thus provide an effective platform for exploring the associated novel 2D spintronic devices, which have been made significant progress in both theoretical and experimental studies. Herein, we make a comprehensive review on the recent scientific endeavors and advances on the various engineering strategies on 2D ferromagnets, such as strain-, doping-, structural- and electric field-engineering, toward practical spintronic applications, including spin tunneling junctions, spin field-effect transistors and spin logic gate, etc. In the last, we discuss on current challenges and future opportunities in this field, which may provide useful guidelines for scientists who are exploring the fundamental physical properties and practical spintronic devices of low-dimensional magnets.
Journal Article
Synthesis and modelling of the mechanical properties of Ag, Au and Cu nanowires
by
Lah, Nurul Akmal Che
,
Trigueros, Sonia
in
10 Engineering and Structural materials
,
105 Low-Dimension (1D/2D) materials
,
106 Metallic materials
2019
The recent interest to nanotechnology aims not only at device miniaturisation, but also at understanding the effects of quantised structure in materials of reduced dimensions, which exhibit different properties from their bulk counterparts. In particular, quantised metal nanowires made of silver, gold or copper have attracted much attention owing to their unique intrinsic and extrinsic length-dependent mechanical properties. Here we review the current state of art and developments in these nanowires from synthesis to mechanical properties, which make them leading contenders for next-generation nanoelectromechanical systems. We also present theories of interatomic interaction in metallic nanowires, as well as challenges in their synthesis and simulation.
Journal Article
Heterogeneous structural changes correlated to local atomic order in thermal rejuvenation process of Cu-Zr metallic glass
by
Wakeda, Masato
,
Saida, Junji
in
10 Engineering and Structural materials
,
106 Metallic materials
,
107 Glass and ceramic materials
2019
In this study, we investigated the atomistic mechanism of structural excitation in a thermal process (thermal rejuvenation) of metallic glass. In a molecular dynamics framework, Cu-Zr metallic glass was rejuvenated by a thermal process composed of an isothermal heat treatment at a temperature above the glass transition temperature
, followed by fast cooling. Atomistic analyses of the local rearrangement, potential energy, and geometrical structure revealed structural changes correlating to the local atomic order in the rejuvenation process. In the early stage of the heat treatment for thermal rejuvenation, the structural excitation exhibited spatial heterogeneity at the nanometer scale. More-excited regions (i.e., regions with large atomic non-affine and affine transformations) exhibited low-ordered structures and vice versa, implying that the local structural excitation is significantly correlated with the local atomic order. The structural excitation transitioned from partial to whole as the isothermal process proceeded above
. Although rejuvenation decreased the ordered structure, the calculation results suggested the formation of newly ordered local structures and newly disordered local structures correlated to local structural excitations and atomic dynamics in the thermal process. These results indicate that the heterogeneous structure evolution of the rejuvenation process induces a redistribution of the local atomic order in the microstructure of metallic glasses.
Journal Article
Chemical modification of group IV graphene analogs
by
Spencer, Michelle J. S.
,
Tetsuka, Hiroyuki
,
Nakano, Hideyuki
in
105 Low-Dimension (1D/2D) materials
,
204 Optics/Optical applications
,
301 Chemical syntheses/processing
2018
Mono-elemental two-dimensional (2D) crystals (graphene, silicene, germanene, stanene, and so on), termed 2D-Xenes, have been brought to the forefront of scientific research. The stability and electronic properties of 2D-Xenes are main challenges in developing practical devices. Therefore, in this review, we focus on 2D free-standing group-IV graphene analogs (graphene quantum dots, silicane, and germanane) and the functionalization of these sheets with organic moieties, which could be handled under ambient conditions. We highlight the present results and future opportunities, functions and applications, and novel device concepts.
Journal Article
Multiscale analysis of mechanical behavior of multilayer steel structures fabricated by wire and arc additive manufacturing
by
Sun, Zhengzhong
,
Kitano, Houichi
,
Goto, Kenta
in
106 Metallic materials
,
305 Plasma / Laser processing
,
400 Modeling/Simulations
2020
The mechanical behavior of multilayer steel structures fabricated via wire and arc additive manufacturing (WAAM) has been investigated from the multiscale perspective. The multimaterial WAAM approach can control a heterogeneous structure and improve its mechanical properties. In this study, WAAM equipment based on plasma arc welding was used to fabricate two pairs of single- and duplex-phase multilayer steel structures using austenitic and martensitic stainless steel wires. The heterogeneity of these structures was characterized through micro-indentation tests. In addition, tensile tests of the multilayer structures were conducted to evaluate the effect of heterogeneity on macroscopic material properties. The deformation behavior of the heterogeneous multilayer steel structures was investigated by comparison with the finite element simulations of tensile tests in which the finite element models were created according to the estimated local elastoplastic properties from the results of micro-indentation tests. The micro-indentation tests revealed that the local mechanical properties significantly change during WAAM in cases where martensitic stainless steel wire was used. Additionally, strain-induced transformation plasticity was particularly observed in duplex cases, caused by the metastable austenite phase formed according to the thermal history and through the mixing of alloy elements. Thus, the heterogeneity of the multilayer steel structures became more complicated than its design, and consequently, its macroscopic mechanical properties exceeded the upper and lower bounds of a micromechanic estimation. The results show the potential to fabricate a structure having a unique mechanical behavior via the multimaterial WAAM approach.
Journal Article
Austenite grain growth simulation considering the solute-drag effect and pinning effect
by
Fujiyama, Naoto
,
Seki, Akira
,
Kojima, Kazuhiro
in
10 Engineering and structural materials
,
100 Materials
,
106 Metallic materials
2017
The pinning effect is useful for restraining austenite grain growth in low alloy steel and improving heat affected zone toughness in welded joints. We propose a new calculation model for predicting austenite grain growth behavior. The model is mainly comprised of two theories: the solute-drag effect and the pinning effect of TiN precipitates. The calculation of the solute-drag effect is based on the hypothesis that the width of each austenite grain boundary is constant and that the element content maintains equilibrium segregation at the austenite grain boundaries. We used Hillert's law under the assumption that the austenite grain boundary phase is a liquid so that we could estimate the equilibrium solute concentration at the austenite grain boundaries. The equilibrium solute concentration was calculated using the Thermo-Calc software. Pinning effect was estimated by Nishizawa's equation. The calculated austenite grain growth at 1473-1673 K showed excellent correspondence with the experimental results.
Journal Article