Materials Modeling

A. Shape-memory alloys

This research concerns the combined experimental, analytical and computational study of superelasticity and the shape-memory effect in metal alloys, especially NiTi and CuZnAl. The experimental portion of this work is done in collaboration with Professor R.O. Ritchie.

The following image shows the experimental setup for bi-axial (tension-torsion) loading of thin NiTi tubes under displacement control, slow loading rates and essentially isothermal conditions:

Computational


Related Publications:

  • A. Sengupta, P. Papadopoulos, A. Kueck and A.R. Pelton. ``On Phase Transformation Models for Thermo-mechanically Coupled Response of Nitinol'' , Comp. Mech., 48, pp. 213-227, (2011).

  • A. Sengupta and P. Papadopoulos. ``Constitutive modeling and finite element approximation of B2-R-B19' phase transformations in Nitinol polycrystals'' , Comp. Meth. Appl. Mech. Engrg., 198, pp. 3214-3227, (2009).

  • Y. Jung, P. Papadopoulos and R.O. Ritchie. ``Constitutive Modeling and Numerical Simulation of Multivariant Phase Transformation in Superelastic Shape-memory Alloys'', Int. J. Num. Meth Engrg., 60, pp. 429-460, (2004).

  • J.M. McNaney, V. Imbeni, Y. Jung, P. Papadopoulos and R.O. Ritchie. ``An Experimental Study of the Superelastic Effect in a Shape-Memory Nitinol Alloy Under Biaxial Loading'', Mech. Mat., 35, pp. 969-986, (2003).


    Short course material:

    P. Papadopoulos. ``Constitutive Modeling and Simulation of the Superelastic Effect in Shape-Memory Alloys'' , CISM, Udine, July 2005.



  • B. Estimation of material properties using molecular dynamics

    The purpose of this research is to estimate mechanical and thermal properties of materials using methods of statistical mechanics, as implemented computationally within the framework of molecular dynamics techniques. Properties of particular interest include elasticities in metals and alloys, as well as thermal conductivities in microscale systems.

    The following snapshot shows an instance of a simple two-dimensional molecular dynamics calculation for Cu under constant temperature:

    Computational


    Related Publications:

  • K.K. Mandadapu, R.E. Jones and P. Papadopoulos. ``A Homogeneous Non-Equilibrium Molecular Dynamics Method for Calculating the Heat Transport Coefficient of Mixtures and Alloys'' , J. Chem. Phys., 133, pp. 034122-1-11, (2010).

  • K.K. Mandadapu, R.E. Jones and P. Papadopoulos. ``Generalization of the Homogeneous Non-Equilibrium Molecular Dynamics Method for Calculating Thermal Conductivity to Multi-body Potentials'' , Phys. Rev. E, 80, 047702-1-4, (2009).

  • K.K. Mandadapu, R.E. Jones and P. Papadopoulos. ``A Homogeneous Non-Equilibrium Molecular Dynamics Method for Calculating Thermal Conductivity with a Three-Body Potential'' , J. Chem. Phys., 130, 204106-1-9, (2009).




  • C. Fabric materials

    This research concerns the modeling and simulation of fabric materials used in a wide array of applications ranging from lightweight ballistic shields (e.g., body armor, aircraft fuselage barriers) to high-strength flexible systems (e.g., parachutes) to everyday clothing manufacture. Particular emphasis is given to special-purpose materials such as Kevlar and Zylon, which exhibit high strength-to-weight ratio.

    The following image shows the numerical simulation of a push-test on a clamped fabric sheet made of Kevlar:

    Computational


    Related Publications:

  • B. Nadler, P. Papadopoulos and D.J. Steigmann. ``Multi-scale Constitutive Modeling and Numerical Simulation of Fabric Material'', Int. J. Solids Struct., 43, pp. 206-221, (2006).

  • B. Nadler, P. Papadopoulos and D.J. Steigmann. ``Convexity of the Strain-Energy Function in a Two-Scale Model of Ideal Fabrics'', J. Elast., 84, pp. 223-244, (2006).



  • D. Multiscale modeling of materials

    This research focuses on the coupling of length and time scales using atomistic and continuum methods. Emphasis is placed on both theoretical and computational aspects with application to solids.

    Computational


    Related Publications:

  • A. Sengupta, P. Papadopoulos and R.L. Taylor. ``A Multiscale Finite-element Method for Modeling Fully-Coupled Thermomechanical Problems in Solids'' , to appear in Int. J. Num. Meth. Engrg..

  • K.K Mandadapu, A. Sengupta and P. Papadopoulos. ``A Homogenization Method for Thermomechanical Continua using Extensive Physical Quantities'' , Proc. Royal. Soc. London A., 468, pp. 1696-1715, (2012).

    i>K.K Mandadapu, A. Sengupta and P. Papadopoulos. ``A Homogenization Method for Thermomechanical Continua using Extensive Physical Quantities'' , Proc. Royal. Soc. London A., 468, pp. 1696-1715, (2012).


    E. Computational plasticity

    This research focuses on the use of finite element-based methods in the analysis of problems of infinitesimal and finite plasticity within the context of the strain-space formulation. Research in infinitesimal plasticity concentrates on issues of stability and accuracy of the algorithms used in the integration of the underlying differential/algebraic equations, as well as solveability issues concerning non-associative models. Research in finite plasticity concerns the derivation and numerical implementation of theoretically sound and physically plausible models for analysis of the elastic-plastic response of metallic bodies that undergo finite deformations.

    The following image shows the deformed shape and the equivalent plastic strain of an initially curcular flange which is deep-drawn by pulling the inner circular boundary inwards. Note the loss of axisymmetry, which is due to the orthotropic yield condition:

    Computational


    Related Publications:

  • A. Gupta, H.H. Bayraktar, J.C. Fox, T.M. Keaveny and P. Papadopoulos. ``Constitutive Modeling and Algorithmic Implementation of a Plasticity-like Model for Trabecular Bone Structures'', Comp. Mech., 40, pp. 61-72, (2007).

  • J. Lu and P. Papadopoulos. ``A Covariant Formulation of Anisotropic Finite Plasticity: Theoretical Developments'', Comp. Meth. Appl. Mech. Engrg., 193, pp. 5339-5358, (2004).

  • P. Papadopoulos and J. Lu. ``On the Formulation and Numerical Solution of Problems in Anisotropic Finite Plasticity'', Comp. Meth. Appl. Mech. Engrg., 190, pp. 4889-4910, (2001).