Markus J. Buehler – författare

Atomistic Modeling of Materials Failure is an introduction to molecular and atomistic modeling techniques applied to solid fracture and deformation. Focusing on a variety of brittle, ductile, geometrically confined and biological materials, this detailed overview includes computational methods at the atomic scale, and describes how these techniques can be used to model the dynamics of cracks and other deformation mechanisms.

A full description of molecular dynamics (MD) as a numerical modeling tool covers the use of classical interatomic potentials and implementation of large-scale massively parallelized computing facilities in addition to the general philosophies of model building, simulation, interpretation and analysis of results. Readers will find an analytical discussion of the numerical techniques along with a review of required mathematical and physics fundamentals. Example applications for specific materials (such as silicon, copper, fibrous proteins) are provided as case studies for each of the techniques, areas and problems discussed.

Providing an extensive review of multi-scale modeling techniques that successfully link atomistic and continuum mechanical methods, Atomistic Modeling of Materials Failure is a valuable reference for engineers, materials scientists, and researchers in academia and industry.

Biomateriomics is the holistic study of biological material systems.  While such systems are undoubtedly complex, we frequently encounter similar components -- universal building blocks and hierarchical structure motifs -- which result in a diverse set of functionalities.  Similar to the way music or language arises from a limited set of music notes and words, we exploit the relationships between form and function in a meaningful way by recognizing the similarities between Beethoven and bone, or Shakespeare and silk.  Through the investigation of material properties, examining fundamental links between processes, structures, and properties at multiple scales and their interactions, materiomics explains system functionality from the level of building blocks. 

Biomateriomics specifically focuses the analysis of the role of materials in the context of biological processes, the transfer of biological material principles towards biomimetic and bioinspired applications, and the study of interfaces between living and non-living systems.  The challenges of biological materials are vast, but the convergence of biology, mathematics and engineering as well as computational and experimental techniques have resulted in the toolset necessary to describe complex material systems, from nano to macro. Applying biomateriomics can unlock Nature’s secret to high performance materials such as spider silk, bone, and nacre, and elucidate the progression and diagnosis or the treatment of diseases. Similarly, it contributes to develop a de novo understanding of biological material processes and to the potential of exploiting novel concepts in innovation, material synthesis and design.