Opening Positions

  • Post-PhD May 1st

    Postdoctoral Research Position

    Modeling and testing of the dissolution of amorphous aluminosilicate materials, in collaboration with the LC2 laboratory.

  • PhD July 1st

    Ph.D. Student Position

    Modeling of the adsorption of organic and inorganic liquids in porous media, in collaboration with the LC2 laboratory.

  • Intership Any time

    Undergraduate Trainings

    Research interships in various areas are possible at any time in the year.

In construction...

Awards received by group members

  • 2014
    Future Leader Nomination - The American Ceramic Society
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    The nomation to the Future Leader Program (FLP) recognises exemplary work and potential as a future leader in the ceramics and glass industry.

    2014 Future Leader Program
  • 2012
    Norbert J. Kreidl Award - The American Ceramic Society
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    The Norbert J. Kreidl Award for Young Scholars is attributed by the American Ceramic Society and recognizes research excellence in glass science.

    Topological Constraints and Rigidity of Network Glasses from Molecular Dynamics Simulations

    Topological constraint theory provides an interesting means to understand the important microscopic physics governing the thermal, mechanical and rheological properties of glasses with changing compositions, while filtering out unnecessary details that ultimately do not affect its macroscopic properties. It has been successful in predicting compositional trends in covalent network-forming glasses such as chalcogenides. Its application appears however more challenging in iono-covalent glasses such as silicates where neighbors/bonds and angles need to be properly defined. Here we derive such constraints for different alkali silicates using an atomic scale approach (Molecular Dynamics, MD) combined with partial bond angle distributions (PBAD). The latter allows having access to the second moments (standard deviations) of the distributions. Large (small) standard deviations correspond to large (small) angular excursions around a mean value, and are identified as broken (intact) bond-bending constraints. A similar procedure is used for bond-stretching constraints. Systems examined include glassy and liquid disilicate 2SiO2-M2O (LS2, NS2, KS2). In the glass, MD constraint counting closely matches Maxwell enumeration of constraints using the octet binding (8-N) rule. Results show that the standard deviations of the partial bond angle distributions increase with temperature and suggest a softening of bond-bending constraints. A bimodal bonding oxygen distribution is obtained for T>Tg, and the fraction of thermally activated broken bond-bending constraints computed as a function of temperature. As a preliminary work, pressure effects are also presented. Overall, these results provide a microscopic rationale for extending constraint counting from chalcogenides to complex oxides, and also a numerical basis for recent functional forms of temperature-dependent constraints proposed from energy landscape approaches.

    2012 Norbert J. Kreidl Award

Collaborators

John C. Mauro

Research Manager and Senior Research Associate, Glass Research at Corning Incorporated, USA

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Morten M. Smedskjaer

Associate Professor, Section of Chemistry, Department of Chemistry and Bioscience, Aalborg University, DK

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Matthieu Micoulaut

Professor at UMPC, Paris

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Enrico Masoero

Lecturer in Structural Engineering, Newcastle University, UK

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Thank you !

Thanks to our former, current, and future collaborators! :)

Research Projects

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    Relationship between nano and mesoscale topology and fracture toughness

    In collaboration with Enrico Masoero

    C-S-H is the binding phase of cement and concrete, responsible for its mechanical properties. We study its fracture resistance (fracture toughness) at nano and mesoscale. The goal is to optimize the structure of C-S-H at different scales to improve its toughness, which would allow one to use less material while achieving similar performances.

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    Link between composition and surface reactivity

    In collaboration with Dieter Brommer

    Fly ashes are typical wastes of energy plants. It is still unknown why some compositions of fly ashes react with water to form cementitious materials whereas some others do not. To build a treasury map of the reactive fly ashes compositions, we study the relationship between composition, structure, and surface reactivity.

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    Aging of materials

    In collaboration with Enrico Masoero

    It is well known that amorphous materials are out of equilibrium, and tend to age. This can have dramatic consequences in applications such as phase-change materials (used for memory storage), optical fibers, or cement. Unfortunately, molecular dynamics, due to its computaional cost, cannot capture long-term aging.

    We study the creep of C-S-H by performing smart simulations, relying on the transition state theory and the energy landscape approach.

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    Nano structure of cement

    In collaboration with MJ Abdolhosseini Qomi

    Cement is an ubiquitous material in our environment. However, its atomistic structure is still controversial. We performe molecular dynamics simulation at the nanoscale, validated with available experimental results. We study how to tune the composition of cement to improve its mechanical properties.

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    Mechanical peroperties of glass (Gorilla glass)

    In collaboration with Matthieu Micoulaut and John C. Mauro

    We develop models allowing the prediction of the mechanical properties of glassy materials from the knowledge of their atomic network topology. This allows identifying optimal compositions for ultra-strong glasses.

Current courses

  • 101 Fall

    Statics and Dynamics

    Lecture, four hours; discussion, two hours; outside study, six hours. Requisites: Mathematics 31A, 31B, Physics 1A. Newtonian mechanics, vector representation, and resultant forces and moments. Free-body diagrams and equilibrium, internal loads and equilibrium in trusses, frames, and beams. Planar and nonplanar systems, distributed forces, determinate and indeterminate force systems, shear and moment diagrams, and axial force diagram. Kinematics and kinetics of particles. Linear and angular momentum and impulse. Multiparticle systems. Kinematics and kinetics of rigid bodies in two- and three-dimensional motions. Letter grading.

  • 106/206 Fall

    Modeling of engineering materials

    Currently offered as 298
    Statistical mechanics and numerical simulation, Monte-Carlo methods, molecular dynamics, correlation functions, phase transitions, advances Monte-Carlo algorithms, stochastic thermodynamics and fluctuation theorems, out of equilibrium statistical physics, aging.

  • 104 Winter

    Structure, Processing, and Properties of Civil Engineering Materials

    Lecture, four hours; discussion, two hours; outside study, six hours. Enforced requisites: course 101, Chemistry 20A, 20B, Materials Science 104, Mathematics 31A, 31B, 32B, Physics 1A, 1B, 1C. Enforced corequisite: course 108. Discussion of aspects of cement and concrete materials, including manufacture of cement and production of concrete. Aspects of cement composition and basic chemical reactions, microstructure, properties of plastic and hardened concrete, chemical admixtures, and quality control and acceptance testing. Development and testing of fundamentals for complete understanding of overall response of all civil engineering materials. By end of term, successful utilization of fundamental materials science concepts to understand, explain, analyze, and describe engineering performance of civil engineering materials. Concurrently scheduled with course C204. Letter grading.

  • 108 Winter

    Introduction to Mechanics of Deformable Solids

    Lecture, four hours; discussion, two hours; outside study, six hours. Enforced requisites: Mathematics 32B, Physics 1A. Enforced corequisite: course 101. Review of equilibrium principles; forces and moments transmitted by slender members. Concepts of stress and strain. Stress-strain relations with focus on linear elasticity. Transformation of stress and strain. Deformations and stresses caused by tension, compression, bending, shear, and torsion of slender members. Structural applications to trusses, beams, shafts, and columns. Introduction to virtual work principle. Letter grading.

  • 105/205 Spring

    Fundamentals, Properties, and Technology of Industrial Glasses

    Currently offered as 298
    Lecture, four hours; discussion, two hours; outside study, six hours. Enforced requisites: CEE 101, Mathematics 31A/31B/32B, Physics 1A/1B/1C, Chemistry and Biochemistry 20A/20B. Enforced corequisite: CEE 108. The objective of this course is to provide a fundamental understanding of the nature and properties of glasses, in the field of infrastructures and technology (structures, LCD screens, touch-screen devices, fiber optics…). Special attention will be paid on glass formation and its relevance to manufacturing, and on composition-structure-properties relationships.
    Special Notes for Undergraduate Students: Students with a minimum 3.0 are allowed to enroll. Also, this course will satisfy major electives. The instructor will coordinate with the Civil and Environmental Engineering SAO to submit necessary paperwork to the Office of Academic and Student Affairs to petition this course to count toward major electives. To enroll in this course you may request a PTE # from the instructor.

  • 182/282 Spring

    Rigid and Flexible Pavements: Design, Materials, and Serviceability

    Lecture, four hours; discussion, two hours; outside study, six hours. Recommended requisites: courses C104, 108, 120, Materials Science 104. Correlation, analysis, and metrication of aspects of pavement design, including materials selection and traffic loading and volume. Special attention to aspects of pavement distress/serviceability and factoring of these into metrics of pavement performance. Discussion of potential choices of pavement materials (i.e., asphalt and concrete) and their specific strengths and weaknesses in paving applications. Unification and correlation of different variables that influence pavement performance and highlight their relevance in pavement design. Concurrently scheduled with course C282. Letter grading.

Principal investigators

Postdoctoral scientists

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    Bu Wang, Ph.D.

    Postdoctoral Scientist

    wangbu@ucla.edu


    Education:

    2000-2004: B.S. in Electrical Engineering, Tianjin University, China
    2004-2007: M.S. in Electrical Engineering, Tianjin University, China
    2007-2012: Ph.D. in Ceramic Engineering, Alfred University


    Research interest:

    My research focuses on the complex atomic structures of crystalline and amorphous inorganic materials. By utilizing various simulation techniques, my research strives to understand how the material properties can be predicted and engineered at the atomic level. The current project includes radiation resistance in silicates, mechanical properties and nano-ductility of oxide glasses, and amorphization of functional oxides.


    List of publications

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    Anoop Krishnan, Ph.D.

    Postdoctoral Scientist

    anoopnm@ucla.edu


    Education:

    2005-2009: B.Tech in Civil Engineering, National Institute of Technology, Calicut, India
    2009-2014: Ph.D. in Civil Engineering, Indian Institute of Science, Bangalore, India


    Research interest:

    I'm interested in an interdisciplinary research integrating ideas from physics, material sciences, and engineering with a focus on the mechanics of amorphous materials. My research involves exploring the response of materials at the atomic scale to design smart materials at the macroscale, utilizing various simulation techniques. A few current projects include irradiation response of minerals, design of fracture resistant glasses, and modeling fatigue fracture and creep in concrete.


    List of publications

Graduate students

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    Yingtian Yu

    List of publications

    Simulation of silicate glasses, composition-mechanical properties relationships.

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    Peng Guo

    Ph.D. Candidate

    pengguo@ucla.edu


    Education:

    2005-2009: Wuhan University of Technology, B.S.
    2010-2013: Beihang University, M.S.
    2013-Present: UCLA, Ph.D


    Research interest:

    My research focuses on “green” building materials, designed by computational methods (DFT, molecular dynamics). Briefly, the new generation of building materials (cement clinkers) are re-designed by atomic doping substitutions in order to (1) reduce sintering temperature/energy consumption, (2) enhance reactivity/product-strength with equivalent material consumption, and (3) reduce heat capacity.


    List of publications

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    Mengyi Wang

    Graduate student

    catbert@ucla.edu


    Education:

    BSMSE, UCLA (2015)


    Research interest:

    My research focuses on composition-chemical durability relationsand in silicate glasses, and on the simulation of silicate glasses strengthened by ion-exchange.


    List of publications

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    Yu-Ching Hsiao

    Ph.D. student

    yuching.hsiao@ucla.edu


    Education:

    2008-2011: National Tsing Hua University, Taiwan, B.S.

    2011-2013: Linkoping University, Sweden, M.S.

    2014-2015: Institute of Physics, Academia Sinica, Taiwan

    2015-Present: UCLA, Ph.D.


    Research interest:

    My research goal is to prevent the corrosion in reinforced concrete by optimizing the photo-catalytic behavior of TiO2 by means of atomistic simulations (DFT, classical MD).


    List of publications

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    Sha Liu

    Modeling of adsorption in porous materials.

Visiting scientists

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    Prof. Yongqi Wei

    Visiting Professor

    wei_yongqi@tongji.edu.cn


    Visiting scholar in UCLA (Aug. to Nov. 2015
    Post-doctor in Tongji University (China)
    Associate professor in East China Institute of China
    National First-Grade Registered Construction Engineer of China

    Dr. Wei’s research interests focus on the relationship between the micro-structures and properties of cement- and gypsum-based materials, with a special interest on the link between the molecular structure of C-S-H gels, the main binding phase in Portland cement concrete, and their macroscale performance.

    Dr. Wei got his PhD in Materials Science from Tongji University in 2013, and has a one year work experience as an R&D engineer in Saint-Gobain R&D Center in Shanghai. He is now leading three research projects in China: (1) a National NSF (Natural Science Foundation) project ‘Evolution Rules of Composition & Microstructure of Composite Cement Pastes and Their Evolution Models Related to Mechanical Performance’,(2) a State NSF project focusing on FGD gypsum, and (3) a National Post Doctoral NSF project dedicated to marine tunnel concrete.


    List of publications

Undergraduate students

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    Dawei Zhang

    Simulation of silicate glasses, aging in glasses and liquids.

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    Zegao Liu

    Characterization of silicate glasses' structure through X-Ray diffraction.

Former students and postdoctoral scholars

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    Zin Win (Sandra) Maw

    Simulation of silicate glasses, composition-stiffness relationship in silicates.

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    Young Jea Lee

    Simulation of silicate glasses, thermodynamical properties of glasses and liquids.

    Now Field Application Engineer at SK hynix.

Office at UCLA

Prof. Mathieu Bauchy

University of California, Los Angeles
5731B Boelter Hall
Los Angeles, CA 90095-1593
United States


PARIS Laboratory

University of California, Los Angeles
2517 Boelter Hall
Los Angeles, CA 90095-1593
United States
Phone: 1 (310) 860-6212

Present openings

  • Post-PhD May 1st

    Post-Doctoral Research Position - Dissolution of Silicates

    The successful candidate will work on measuring and modelling the dissolution and precipitation of amorphous/glassy aluminosilicates in aqueous systems of high alkalinity, and ionic strength. Focus will be placed on understanding how the local-scale atomic topology in such aluminosilicate lattices would influence their dissolution, and the precipitation of the resulting reaction products. The work will apply vertical scanning interferometry as a technique to quantify dissolution kinetics [Kumar et al., J. Am. Cer. Soc. 2013, 96(9), 2766-2778].

    More information on the position

  • PhD July 1st

    Ph.D. Student Position - Adsorption modeling

    The successful candidate will work on the modeling the sorption of organic and inorganic liquids in porous media, by means of Grand-Canonical-Monte-Carlo and molecular dynamics simulations, using reactive potentials. The student will also be expected to participate in experiments/synthesis/testing activities, in collaboration with the members of the group.

    More information on the position

  • Intership Any time

    Undergraduate and Graduate Research Trainings

    We have internship positions available in the area of computational material science, with a focus on composition-structure-properties relationships in silicate glasses, assessed by molecular dynamics simulations. Specific properties of interest include, but are not limited to: mechanical properties, fracture, creep, aging, surface reactivity, relaxation... The candidate will work in the group of Prof. Bauchy at the University of California, Los Angeles, in strong collaboration with computational and experimentalist students/postdocs/faculty in the department.

    More information on the position