Efficient approach for simulating distorted materials

The operation principles of nanoscale devices are based upon both electronic and mechanical properties of materials. Because these properties can be coupled, they need to be investigated simultaneously. At this moment, however, the electronic structure calculations with custom-made long-range mechanical distortions are impossible, or expensive at best. Here we present a unified formalism to solve exactly the electronic structures of nanomaterials with versatile distortions. We illustrate the formalism by investigating twisted armchair graphene nanoribbons with the least possible number of atoms. Apart from enabling versatile material distortions, the formalism is capable of reducing computational costs orders of magnitude in various areas of science and engineering.Comment: 4 pages, 2 figures, 2 table

Self-passivating edge reconstructions of graphene

Planar reconstruction patterns at the zigzag and armchair edges of graphene were investigated with density functional theory. It was unexpectedly found that the zigzag edge is metastable and a planar reconstruction spontaneously takes place at room temperature. The reconstruction changes electronic structure and self-passivates the edge with respect to adsorption of atomic hydrogen from molecular atmosphere.Comment: 4 pages, 4 figures, 1 tabl

Ethical Governance of eGovernment Ecosystems

Digitisation of governmental services has become a common approach to make governing more effective and efficient. The eGovernment services can be built on top of a variety of information systems and supplied to and between individuals and organisations on both national and international levels. This results in a complex organisational and sociotechnical ecosystem containing a vast amount of variables affecting the privacy and safety of citizens. Thus, achieving these better societies relies strongly on common trust between the citizens and governments. This calls for ‘governance of governance’, which can prove to be difficult to manage. Even in this challenging environment, it is crucial that ethical principles are applied to the highest possible degree. Yet, in current research, the citizens are often neglected. In order to develop a better society for all, we should objectively consider the ends and means of eGovernment. In this paper, we study the relation of the citizens and eGovernment systems from an ethical perspective in order to represent which ethical considerations should be made if one wishes to truly aim for a better society

Valtion virkamiesten palkat marraskuussa 1972

Suomen virallinen tilasto (SVT

INFORMATION SERVER CONCEPT for SPECIAL USER GROUPS

ABSTRACT The presented information server concept, developed at VTT, is a user-centred and task oriented client-server approach for solving informational needs of special user groups. This paper describes application of the concept for producing an unbroken trip chain for the visually impaired. The goal of the study was to build a navigational aid for the visually impaired using commercial passenger information and personal navigation services without laborious and expensive changes in the current infrastructure. Visually impaired persons do not have any specific information needs. Information needed either exists but is not accessible, or would be useful for all passengers. Passenger information systems should be equipped with a standard XML interface, which is accessible via Internet. This would make it easier to serve special user groups, whose means to reach the information is different