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We present a phase-field crystal (PFC) model for solidification that accounts for thermal transport and a temperature-dependent lattice parameter. Elasticity effects are characterized through the continuous elastic field computed from the…

材料科学 · 物理学 2023-01-26 Maik Punke , Steven M. Wise , Axel Voigt , Marco Salvalaglio

In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the…

材料科学 · 物理学 2009-11-07 A. M. Cuitino , L. Stainier , G. Wang , A. Strachan , T. Cagin , W. A. Goddard , M. Ortiz

The ferroelectric phase transition in barium titanate under pressure was studied within the framework of Landau-Ginzburg theory using differential scanning calorimetry. An innovative method for high-sensitive thermal measurements under…

材料科学 · 物理学 2024-10-18 Olga Mazur , Ken-ichi Tozaki , Yukio Yoshimura , Leonid Stefanovich

The search for effective methods to fabricate bulk single-phase quasicrystalline Al-Cu-Fe alloys is currently an important task. Crucial to solving this problem is to understand mechanisms of phase formation in this system. Here we study…

化学物理 · 物理学 2020-01-08 L. V. Kamaeva , I. V. Sterkhova , V. I. Ladyanov , R. E. Ryltsev , N. M. Chtchelkatchev

The study of critical phenomena and phase transitions is an important part of modern condensed matter physics. In this regard, the phenomenological Landau theory has been extraordinarily useful. Hereby we present an alternative theoretical…

统计力学 · 物理学 2014-02-24 Yi Wang , Long-Qing Chen , Zi-Kui Liu

We analyze the early phase of brine entrapment in sea ice, using a phase field model. This model for a first-order phase transition couples non-conserved order parameter kinetics to salt diffusion. The evolution equations are derived from a…

大气与海洋物理 · 物理学 2014-05-05 Silke Thoms , Bernd Kutschan , Klaus Morawetz

Understanding the appearance of commensurate and incommensurate modulations in perovskite antiferroelectrics (AFEs) is of great importance for material design and engineering. The dielectric and elastic properties of the AFE domain…

材料科学 · 物理学 2020-09-09 Zhen Liu , Bai-Xiang Xu

We discuss the phenomenology of phase transitions studied with two control variables. Such measurements have become routine with magnetic field and temperature being varied for 1st order magnetic transitions with an ease not conceivable…

材料科学 · 物理学 2014-03-26 P Chaddah

Solidification as a first order phase transition is described in the Landau theory by the same equation as tricritical phenomena. Here, the solidification or melting temperature against pressure curve is modelled to end at a tricritical…

统计力学 · 物理学 2007-05-23 A. Aitta

The order parameters of the magnetic, charge and structural orders at half-doped manganites are identified. A corresponding Landau theory of the phase transitions is formulated. Many structural and thermodynamical behaviors are accounted…

强关联电子 · 物理学 2009-10-31 Fan Zhong , Z. D. Wang

Materials which can undergo extremely fast displacive transformations as well as very slow diffusive transformations are studied using a Ginzburg-Landau framework to understand the physics behind microstructure formation and…

材料科学 · 物理学 2007-05-23 Mathieu Bouville , Rajeev Ahluwalia

The Landau theory of phase transitions has been re-examined under the framework of a modified mean field theory in ferroelectrics. By doing so, one can see that there are two atomic movements involved in the ferroelectric phase transition;…

统计力学 · 物理学 2017-03-29 John Y. Fu

In this paper we explain how to set up what is in fact the only possible consistent construction scheme for a Landau theory of high pressure phase transitions that systematically allows to take into account elastic nonlinearities. We also…

材料科学 · 物理学 2015-02-17 A. Tröster , W. Schranz , F. Karsai , P. Blaha

The induction hardening behavior of a new, hot-rolled 0.4 wt.% carbon steel with the two different starting microstructures of upper and lower bainite has been simulated using a Gleeble 3800. The effect of heating rate in the range 1 - 500…

材料科学 · 物理学 2019-03-12 Vahid Javaheri , Satish Kolli , Bjørnar Grande , David Porter

We here show by first principles theory that it is possible to achieve a structural and magnetic phase transition in common steel alloys like Fe$_{85}$Cr$_{15}$, by alloying with Ni or Mn. The predicted phase transition is from the…

材料科学 · 物理学 2012-01-23 P. Souvatzis , E. K. Delczeg-Czirjak , L. Vitos , O. Eriksson

Austenite ({\gamma}-Fe, face centered cubic (FCC)) to ferrite ({\alpha}-Fe, body centered cubic (BCC)) phase transformation in steel is of great significance from the point of view of industrial applications. In this work, using classical…

材料科学 · 物理学 2019-01-03 Pawan Kumar Tripathi , Sumit Kumar Maurya , Somnath Bhowmick

Materials which can undergo slow diffusive transformations as well as fast displacive transformations are studied using the phase-field method. The model captures the essential features of the time-temperature-transformation (TTT) diagrams,…

材料科学 · 物理学 2007-05-23 Mathieu Bouville , Rajeev Ahluwalia

The overall solid-to-solid phase transformation kinetics under non-isothermal conditions has been modeled by means of a differential equation method. The method requires provisions for expressions of the fraction of the transformed phase in…

材料科学 · 物理学 2015-05-13 Ali R. Massih , Lars O. Jernkvist

The pressure-driven tetragonal-to-monoclinic phase transition in CaWO4 and related scheelite-structured orthotungstates is analysed in terms of spontaneous strains. Based upon our previous high-pressure x-ray diffraction results and the…

材料科学 · 物理学 2007-05-23 D. Errandonea

The thermodynamic model of visco-elastic deformable magnetic materials at finite strains is formulated in a fully Eulerian way in rates with the aim to describe thermoremanent paleomagnetism in crustal rocks. The Landau theory applied to a…

地球物理 · 物理学 2023-11-07 Tomáš Roubíček