Multiscale mesoscopic dynamics and thermodynamics

多尺度介观动力学和热力学

• 批准号: RGPIN-2014-06504
• 负责人: Grmela, Miroslav
• 金额: $ 3.46万
• 依托单位: École Polytechnique de Montréal
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2016
• 资助国家: 加拿大
• 起止时间: 2016-01-01 至 2017-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=612266
• 关键词: Multiscale; mesoscopic; dynamics; thermodynamics

The principal objective of newly emerging field of nano- and bio-engineering is to construct macroscopic objects with a desired macroscopic behavior by controlling their microstructure at nanoscale. Bridging the scales requires new knowledge and new techniques in both experiments and modeling. I have been contributing to the multiscale modeling of complex macroscopic systems since 1980. I have organized the first founding international workshop (IWNET) devoted to this subject in 1996 in Montreal (6th IWNET workshop took place in 2012 in Norway, 7th will take place in 2015 in Holland - see [M. Grmela, H.C. Oettinger, J. NonNewtonian Fluid Mech. vol.194, 60 (2013) for the history of IWNET meetings). The novel approach has recently been reviewed in M. Grmela, "Multiscale equilibrium and nonequilibrium thermodynamics in chemical engineering" Advances in Chemical Engineering, vol.39, 76-129 (2010). My objective in the proposed research is to develop it further, to apply it to new examples of complex fluids and complex solids, and to bring to the multiscale modeling new students and new colleagues. More specifically, in the part of the research that is oriented toward fundamental aspects of modeling, I intend to focus on the geometrical setting providing unified mathematical framework for equilibrium and nonequilibrium thermodynamics as well as for equilibrium and nonequilibrium statistical mechanics of driven complex systems on micro, meso and macro scales. The geometrical formulation greatly facilitates translation of the physical insight gained in experimental observations into mathematically well formulated model that then provides a basis for understanding and guides further investigations. In applications (that also serve as a source of motivation for the general theory) I will continue to investigate rheological properties of complex fluids. In particular, the suspension models, that I have been investigating recently with my colleagues and students in École Centrale de Nantes and in University of Grenoble, will be extended to soft colloids. Many biological fluids belong to this category. New significant features of soft colloids is complexity and variability of shapes of suspended particles (e.g. blood cells) and strong particle-particle interactions. In biological applications I will also continue (in collaboration with colleagues in École Polytechnique of Montreal, Czech Technical University, University of Torino, and University of Florence) investigations of coupling of chemical kinetics (modeling for example growth-related processes in bones) with mechanics (modeling for example mechanical deformations of bones). Other areas of applications include heat transfer in polymer nanocomposites (in collaboration with students and colleagues in Ecole Polytechnique and University of Liege), dynamics and thermodynamics of yield-stress fluids (in collaboration with I. Peshkov - my post doctoral student who is now at University of Marseille), and numerical simulation methods seen as physically meaningful modifications of models (in collaboration with students and colleagues in University of Marseille, École Centrale de Nantes, and University of Grenoble).

纳米和生物工程这一新兴领域的主要目标是通过在纳米尺度上控制微观结构来构建具有理想宏观行为的宏观物体。弥合尺度需要在实验和建模方面的新知识和新技术。自1980年以来，我一直致力于复杂宏观系统的多尺度建模。1996年，我在蒙特利尔组织了第一届专门讨论这一主题的创始国际研讨会（IWNET）（第六届IWNET研讨会于2012年在挪威举行，第七届IWNET研讨会将于2015年在荷兰举行）。H.C.厄廷格，J.非牛顿流体力学。vol.194, 60 (2013) IWNET会议的历史)。M. Grmela，“化学工程中的多尺度平衡和非平衡热力学”，《化学工程进展》，vol.39, 76-129（2010）。我提出的研究目标是进一步发展它，将其应用于复杂流体和复杂固体的新例子，并为多尺度建模带来新的学生和新的同事。