Mechanical Behavior of the Lamellar Structure in Semi-Crystalline Polymers

We have employed molecular dynamics simulations to study the behavior of virtual polymeric materials under an applied uniaxial tensile load. Through computer simulations, one can obtain experimentally inaccessible information about phenomena taking place at the molecular and microscopic levels. Not only can the global material response be monitored and characterized along time, but the response of macromolecular chains can be followed independently if desired. The computer-generated materials were created by emulating the step-wise polymerization, resulting in self-avoiding chains in 3D with controlled degree of orientation along a certain axis. These materials represent a simplified model of the lamellar structure of semi-crystalline polymers,being comprised of an amorphous region surrounded by two crystalline lamellar regions. For the simulations, a series of materials were created, varying i) the lamella thickness, ii) the amorphous region thickness, iii) the preferential chain orientation, and iv) the degree of packing of the amorphous region. Simulation results indicate that the lamella thickness has the strongest influence on the mechanical properties of the lamella-amorphous structure, which is in agreement with experimental data. The other morphological parameters also affect the mechanical response, but to a smaller degree. This research follows previous simulation work on the crack formation and propagation phenomena, deformation mechanisms at the nanoscale, and the influence of the loading conditions on the material response. Computer simulations can improve the fundamental understanding about the phenomena responsible for the behavior of polymeric materials, and will eventually lead to the design of knowledge-based materials with improved properties.

A contribution to a virtual enterprise taxonomy

This paper presents a taxonomy able to contribute to building a framework within the domain of Virtual Enterprises (VE). A VE taxonomy currently does not exist, and this lack is felt in the ambiguous way that some concepts are addressed, leading to a fragment understanding that hinders the development of the science of VE integration and management. The structure of the taxonomy developed is based on the view of the system as a 5-tuple consisting of Input, Control, Output, Mechanism, and Process, which is the underlying system-view in the well-know IDEF0 diagramming technique. In particular, this taxonomy addresses the VE extended lifecycle that implies the use of a meta-organization called Market of Resources, as an original contribution to the VE theory and practice. The taxonomy presented is constructed in a way to be easily complemented with other VE partial taxonomies that may be found in literature.

A taxonomy for virtual enterprises

The purpose of this paper is to present a taxonomy able to contribute to building a framework within the domain of Virtual Enterprises (VE), to facilitate the sharing of knowledge and contributions to knowledge, as well as for trust building among VE stakeholders. A VE taxonomy currently does not exist, and this lack is felt in the ambiguous way that some concepts are addressed, leading to a fragment understanding that hinders the development of the science of VE integration and management. The structure of the taxonomy developed is based on the view of the system as a 5-tuple consisting of Input, Control, Output, Mechanism, and Process, which is the underlying system-view in the well-know IDEF0 diagramming technique. In particular, this taxonomy addresses the VE extended lifecycle that implies the use of a meta-organization called Market of Resources, as an original contribution to the VE theory and practice. The taxonomy presented does not repeat what the literature already includes, or the commonplaces, and it is constructed in a way to be easily complemented with other VE partial taxonomies that may be found in literature. Some suggestions for extensions to other interrelated domains (as evolution leaves taxonomies in an open or incompleteness state) are given in the text.