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The distinguishing structural feature of single-layered black phosphorus is its puckered structure, which leads to many novel physical properties. In this work, we first present a new parameterization of the Stillinger–Weber potential for single-layered black phosphorus. In doing so, we reveal the importance of a cross-pucker interaction term in capturing its unique mechanical properties, such as a negative Poisson's ratio. In particular, we show that the cross-pucker interaction enables the pucker to act as a re-entrant hinge, which expands in the lateral direction when it is stretched in the longitudinal direction. As a consequence, single-layered black phosphorus has a negative Poisson's ratio in the direction perpendicular to the atomic plane. As an additional demonstration of the impact of the cross-pucker interaction, we show that it is also the key factor that enables capturing the edge stress-induced bending of single-layered black phosphorus that has been reported in ab initio calculations.
The Carbon journal is pleased to introduce a themed collection of recent articles in the area of computational carbon nanoscience. This virtual special issue was assembled from previously published Carbon articles by Guest Editors Quan Wang and Behrouz Arash, and can be accessed as a set in the special issue section of the journal website homepage: www.journals.elsevier.com/carbon. The article below by our guest editors serves as an introduction to this virtual special issue, and also a commentary on the growing role of computation as a tool to understand the synthesis and properties of carbon nanoforms and their behavior in composite materials.
Building Information Modeling is a powerful tool for the design and for a consistent set of data in a virtual storage. For the application in the phases of realization and on site it needs further development. The paper describes main challenges and main features, which will help the development of software to better service the needs of construction site managers
Media anthropology is a new and interdisciplinary field of research with very different subjects and methods that seems to be already heavily informed by a comparatively narrow understanding of media as mass media (e.g. TV, Internet, social web, etc.). Therefore, most theories in this field, at least implicitly, employ a hierarchical and often dichotomic preconception of the two poles of media-human relations, by analysing the operationalities and ontologies of the human and the media independently from one another. This article deviates from this line of thought by advocating an expanded, symmetrical and relational understanding of the terms media and human, taking them as always already intermingled facets of a broader dynamic configuration. Starting from a consideration of the historically powerful, yet overlooked media of the so-called habitat diorama, the heuristic concept of “anthropomediality” is to be developed. Eventually, this relational approach may open up a new, interesting field for interrogation of (media-)anthropological analysis in general.