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Martin Z. Bazant, Mehran Kardar, and Roland J.M. Pellenq. Zhou, Tingtao(Edmond Tingtao) Massachusetts Institute of Technology. Department of Physics. Massachusetts Institute of Technology. Department of Physics 2020-03-24T15:37:40Z 2020-03-24T15:37:40Z 2019 2019 https://hdl.handle.net/1721.1/124278 1145018079 Thesis: Ph. D., Massachusetts Institute of Technology, Department of Physics, 2019 Cataloged from PDF version of thesis. Includes bibliographical references (pages 107-121). Capillary condensation-evaporation and freeze-thaw processes are the most familiar examples of first-order phase transitions in equilibrium thermodynamics. Porous, amorphous materials are widely used in everyday life, yet their complex spatial structures lead to unresolved questions for statistical mechanics, both in- and out-of equilibrium. In this thesis I examine the mechanical consequences of capillary force and freezing transition in porous media, using cement, a construction material of pivotal importance, as an example of practical concern. During changes in relative humidity, the amount of water absorbed in a porous material varies and typically displays hysteresis, i.e differences between adsorption and desorption at the same relative humidity. This process is accompanied by mechanical deformations, such as drying shrinkage in cement. A parallel computing library is developed to simulate the adsorption/desorption processes using a lattice gas model. Based on my derivation of the generalized Maxwell-Korteweg stress tensor from Landau-Ginzburg theory, capillary forces are obtained and coupled into nano-particle movements using Molecular Dynamics simulation technique. I then investigated the poromechanics of wet cement using this framework. There I tested the continuum postulate at different length scales, and show local irreversible deformations despite linear elastic response to capillary forces on a macroscopic scale. Freezing poses threats to both living systems and infrastructures. Conventional thinking attributes the damage to water volume expansion upon freezing. However, multiple field observations/experimental evidence conflict with this thinking. To resolve the paradoxes, a thermodynamically consistent theory that highlights the role of charged pore surfaces as well as multiscale porosity is presented, predicting freezing point depression and pressures in different limits of salt behaviors. Explanation of damage based on nano-fluidic salt trapping mechanism is qualitatively consistent with experimental observations. Further implications on freezing tolerance of biological materials are discussed. by (Edmond) Tingtao Zhou. Ph.D. Ph.D. Massachusetts Institute of Technology, Department of Physics 121 pages eng Massachusetts Institute of Technology MIT theses are protected by copyright. They may be viewed, downloaded, or printed from this source but further reproduction or distribution in any format is prohibited without written permission. http://dspace.mit.edu/handle/1721.1/7582 Physics. Phase transition induced deformation in porous media Thesis application/pdf 2020-03-24T15:37:39Z Publication Doctoral Phys unknown unknown <Publication xmlns="https://www.openaire.eu/cerif-profile/1.1/" id="2e898eca-4cf3-4c3c-a724-1036cdee9f19"> <Type xmlns="https://www.openaire.eu/cerif-profile/vocab/COAR_Publication_Types">http://purl.org/coar/resource_type/c_1843</Type> <Language>eng</Language> <Title>Phase transition induced deformation in porous media</Title> <PublishedIn> <Publication> </Publication> </PublishedIn> <PublicationDate>2019</PublicationDate> <Authors> <Author> <DisplayName>Zhou, Tingtao(Edmond Tingtao)</DisplayName> <Affiliation> <OrgUnit> </OrgUnit> </Affiliation> </Author> </Authors> <Editors> </Editors> <Publishers> <Publisher> <DisplayName>Massachusetts Institute of Technology</DisplayName> <OrgUnit /> </Publisher> </Publishers> <License>http://dspace.mit.edu/handle/1721.1/7582</License> <Keyword>Physics.</Keyword> <Abstract>Capillary condensation-evaporation and freeze-thaw processes are the most familiar examples of first-order phase transitions in equilibrium thermodynamics. Porous, amorphous materials are widely used in everyday life, yet their complex spatial structures lead to unresolved questions for statistical mechanics, both in- and out-of equilibrium. In this thesis I examine the mechanical consequences of capillary force and freezing transition in porous media, using cement, a construction material of pivotal importance, as an example of practical concern. During changes in relative humidity, the amount of water absorbed in a porous material varies and typically displays hysteresis, i.e differences between adsorption and desorption at the same relative humidity. This process is accompanied by mechanical deformations, such as drying shrinkage in cement. A parallel computing library is developed to simulate the adsorption/desorption processes using a lattice gas model.</Abstract> <Abstract>Based on my derivation of the generalized Maxwell-Korteweg stress tensor from Landau-Ginzburg theory, capillary forces are obtained and coupled into nano-particle movements using Molecular Dynamics simulation technique. I then investigated the poromechanics of wet cement using this framework. There I tested the continuum postulate at different length scales, and show local irreversible deformations despite linear elastic response to capillary forces on a macroscopic scale. Freezing poses threats to both living systems and infrastructures. Conventional thinking attributes the damage to water volume expansion upon freezing. However, multiple field observations/experimental evidence conflict with this thinking. To resolve the paradoxes, a thermodynamically consistent theory that highlights the role of charged pore surfaces as well as multiscale porosity is presented, predicting freezing point depression and pressures in different limits of salt behaviors.</Abstract> <Abstract>Explanation of damage based on nano-fluidic salt trapping mechanism is qualitatively consistent with experimental observations. Further implications on freezing tolerance of biological materials are discussed.</Abstract> <Access xmlns="http://purl.org/coar/access_right" > </Access> </Publication>