| 1. |
- Abrikosov, Igor, et al.
(författare)
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Recent progress in simulations of the paramagnetic state of magnetic materials
- 2016
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Ingår i: Current opinion in solid state & materials science. - : PERGAMON-ELSEVIER SCIENCE LTD. - 1359-0286 .- 1879-0348. ; 20:2, s. 85-106
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Forskningsöversikt (refereegranskat)abstract
- We review recent developments in the field of first-principles simulations of magnetic materials above the magnetic order disorder transition temperature, focusing mainly on 3d-transition metals, their alloys and compounds. We review theoretical tools, which allow for a description of a system with local moments, which survive, but become disordered in the paramagnetic state, focusing on their advantages and limitations. We discuss applications of these theories for calculations of thermodynamic and mechanical properties of paramagnetic materials. The presented examples include, among others, simulations of phase stability of Fe, Fe-Cr and Fe-Mn alloys, formation energies of vacancies, substitutional and interstitial impurities, as well as their interactions in Fe, calculations of equations of state and elastic moduli for 3d-transition metal alloys and compounds, like CrN and steels. The examples underline the need for a proper treatment of magnetic disorder in these systems. (C) 2015 Elsevier Ltd. All rights reserved.
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| 2. |
- Johansson, Sven, 1981, et al.
(författare)
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First-principles derived complexion diagrams for phase boundaries in doped cemented carbides
- 2016
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Ingår i: Current Opinion in Solid State and Materials Science. - : Elsevier BV. - 1359-0286. ; 20:5, s. 299-307
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Forskningsöversikt (refereegranskat)abstract
- This article reviews a method for calculating an equilibrium interfacial phase diagram depicting regions of stability for different interface structures as function of temperature and chemical potentials. Density functional theory (DFT) is used for interfacial energies, Monte Carlo simulations together with cluster expansions based on DFT results for obtaining configurational free energies, and CALPHAD-type modeling for describing the thermodynamic properties of the adjoining bulk phases. An explicit case, vanadium doped cemented carbides, is chosen to illustrate the progress in the research field and the interfacial diagram, a complexion diagram, for the phase boundary WC(0001)/Co is constructed as function of temperature and chemical potentials.
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| 3. |
- Lourdudoss, Sebastian
(författare)
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Heteroepitaxy and selective area heteroepitaxy for silicon photonics
- 2012
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Ingår i: Current opinion in solid state & materials science. - : Elsevier BV. - 1359-0286 .- 1879-0348. ; 16:2, s. 91-99
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Forskningsöversikt (refereegranskat)abstract
- This article reviews the major achievements in recent years on heteroepitaxy and selective area heteroepitaxy that are relevant to silicon photonics. Material aspects are given due importance without trying to cover all kinds of devices. Under heteroepitaxy several systems based on GaAs, InP and GaSb and their related materials and dilute III-nitrides all on Si substrates are covered and assessed. Quantum dot and quantum well lasers are taken as device examples. The potential of the emerging SnGeSi/Si system is highlighted. Under selective area heteroepitaxy, growth of InP from SiO2 trenches in Si and epitaxial lateral overgrowth of InP on silicon are exemplified as the potential routes for monolithic integration on silicon. The expected trends and anticipated advances are indicated.
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| 4. |
- Nelson, A. Z., et al.
(författare)
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Designing and transforming yield-stress fluids
- 2019
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Ingår i: Current opinion in solid state & materials science. - : Elsevier. - 1359-0286 .- 1879-0348. ; 23:5
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Forskningsöversikt (refereegranskat)abstract
- We review progress in designing and transforming multi-functional yield-stress fluids and give a perspective on the current state of knowledge that supports each step in the design process. We focus mainly on the rheological properties that make yield-stress fluids so useful and the trade-offs which need to be considered when working with these materials. Thinking in terms of “design with” and “design of” yield-stress fluids motivates how we can organize our scientific understanding of this field. “Design with” involves identification of rheological property requirements independent of the chemical formulation, e.g. for 3D direct-write printing which needs to accommodate a wide range of chemistry and material structures. “Design of” includes microstructural considerations: conceptual models relating formulation to properties, quantitative models of formulation-structure-property relations, and chemical transformation strategies for converting effective yield-stress fluids to be more useful solid engineering materials. Future research directions are suggested at the intersection of chemistry, soft-matter physics, and material science in the context of our desire to design useful rheologically-complex functional materials.
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| 5. |
- Persson, Per O A, et al.
(författare)
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Current state of the art on tailoring the MXene composition, structure, and surface chemistry
- 2019
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Ingår i: Current opinion in solid state & materials science. - : PERGAMON-ELSEVIER SCIENCE LTD. - 1359-0286 .- 1879-0348. ; 23:6
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Forskningsöversikt (refereegranskat)abstract
- MXenes constitute a family of two-dimensional transition metal carbides, carbonitrides and nitrides. Discovered in 2011, the number of MXenes has expanded significantly and more than 20 different MXenes have been synthesized, with many more predicted from theoretical calculations. MXenes constitute an exceptional family of materials based on their availability for elemental alloying and control of surface terminations, which enables synthesis of a range of structures and chemistries. Consequently, the MXenes exhibit an unparalleled potential for tuning of the materials properties for a wide range of applications. At present, MXenes have emerged with astonishing electronic, optical, plasmonic and thermoelectric properties. This has resulted in a global surge of research around a wide variety of applications, including but not limited to energy storage, carbon capture, electromagnetic interference shielding, reinforcement for composites, water filtering, sensors, and photo-, electro- and chemical catalysis etc. In this review, we present the available state of the art tailoring of the MXene properties owing to recent advances in structural ordering and tuning of surface terminations.
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