scholarly journals Modelling of framework materials at multiple scales: current practices and open questions

2018 ◽  
Author(s):  
Guillaume Fraux ◽  
Siwar Chibani ◽  
François-Xavier Coudert
Keyword(s):  
Atomistic Simulation ◽  
Multiple Scales ◽  
Point Of View ◽  
Computational Point ◽  
Framework Materials ◽  
New Methods ◽  
Modelling Framework ◽  
Current State ◽  
Open Questions ◽  
The Family

The last decade has seen an explosion of the family of framework materials and their study, both from the experimental and computational point of view. We propose here a short highlight of the current state of methodologies for modelling framework materials at multiple scales, putting together a brief review of new methods and recent endeavours in this area, as well as outlining some of the open challenges in this field. We will detail advances in atomistic simulation methods, the development of materials databases, and the growing use of machine learning for properties prediction.

scholarly journals Modelling of framework materials at multiple scales: current practices and open questions

2019 ◽  
Author(s):  
Guillaume Fraux ◽  
Siwar Chibani ◽  
François-Xavier Coudert
Keyword(s):  
Atomistic Simulation ◽  
Multiple Scales ◽  
Point Of View ◽  
Computational Point ◽  
Framework Materials ◽  
New Methods ◽  
Modelling Framework ◽  
Current State ◽  
Open Questions ◽  
The Family

The last decade has seen an explosion of the family of framework materials and their study, both from the experimental and computational point of view. We propose here a short highlight of the current state of methodologies for modelling framework materials at multiple scales, putting together a brief review of new methods and recent endeavours in this area, as well as outlining some of the open challenges in this field. We will detail advances in atomistic simulation methods, the development of materials databases, and the growing use of machine learning for properties prediction.

scholarly journals Modelling of framework materials at multiple scales: current practices and open questions

2019 ◽  
Author(s):  
Guillaume Fraux ◽  
Siwar Chibani ◽  
François-Xavier Coudert
Keyword(s):  
Atomistic Simulation ◽  
Multiple Scales ◽  
Point Of View ◽  
Computational Point ◽  
Framework Materials ◽  
New Methods ◽  
Modelling Framework ◽  
Current State ◽  
Open Questions ◽  
The Family

The last decade has seen an explosion of the family of framework materials and their study, both from the experimental and computational point of view. We propose here a short highlight of the current state of methodologies for modelling framework materials at multiple scales, putting together a brief review of new methods and recent endeavours in this area, as well as outlining some of the open challenges in this field. We will detail advances in atomistic simulation methods, the development of materials databases, and the growing use of machine learning for properties prediction.

scholarly journals Modelling of framework materials at multiple scales: current practices and open questions

2018 ◽  
Author(s):  
Guillaume Fraux ◽  
Siwar Chibani ◽  
François-Xavier Coudert
Keyword(s):  
Atomistic Simulation ◽  
Multiple Scales ◽  
Point Of View ◽  
Computational Point ◽  
Framework Materials ◽  
New Methods ◽  
Modelling Framework ◽  
Current State ◽  
Open Questions ◽  
The Family

The last decade has seen an explosion of the family of framework materials and their study, both from the experimental and computational point of view. We propose here a short highlight of the current state of methodologies for modelling framework materials at multiple scales, putting together a brief review of new methods and recent endeavours in this area, as well as outlining some of the open challenges in this field. We will detail advances in atomistic simulation methods, the development of materials databases, and the growing use of machine learning for properties prediction.

scholarly journals Modelling of framework materials at multiple scales: current practices and open questions

2019 ◽  
Vol 377 (2149) ◽  
pp. 20180220 ◽  
Author(s):  
Guillaume Fraux ◽  
Siwar Chibani ◽  
François-Xavier Coudert
Keyword(s):  
Atomistic Simulation ◽  
Multiple Scales ◽  
Theme Issue ◽  
Framework Materials ◽  
New Methods ◽  
Modelling Framework ◽  
Current State ◽  
Open Questions ◽  
The Family ◽  
Points Of View

The last decade has seen an explosion of the family of framework materials and their study, from both the experimental and computational points of view. We propose here a short highlight of the current state of methodologies for modelling framework materials at multiple scales, putting together a brief review of new methods and recent endeavours in this area, as well as outlining some of the open challenges in this field. We will detail advances in atomistic simulation methods, the development of material databases and the growing use of machine learning for the prediction of properties. This article is part of the theme issue ‘Mineralomimesis: natural and synthetic frameworks in science and technology’.

scholarly journals Superconductivity in titanium-based pnictide oxide compounds

2014 ◽  
Vol 28 (19) ◽  
pp. 1430011 ◽  
Author(s):  
Bernd Lorenz ◽  
Arnold M. Guloy ◽  
Paul C. W. Chu
Keyword(s):  
Current Knowledge ◽  
Density Wave ◽  
Short Review ◽  
Point Of View ◽  
Theoretical Point ◽  
Wave Instability ◽  
Iron Pnictide ◽  
Open Questions ◽  
The Family ◽  
Charge Density Wave Phase

Superconductivity in a novel class of layered materials, Ti -based pnictide oxides, was recently discovered. These compounds have attracted interest since they combine features of copper oxide and iron pnictide superconductors. Here the transition metal (titanium) forms two-dimensional Ti 2 O layers (anti structure to the CuO 2 planes), capped by pnictogen ions (similar to Fe 2 As 2 layers). The pnictide oxide compounds show a spin or charge density wave phase which coexists with superconductivity in some members of the family. Unlike the cuprates, but similar to iron pnictides, the parent compounds of pnictide oxides are metals with specific nesting properties of the Fermi surface which leads to the density wave instability. The nature of the superconductivity, coexisting with the density wave order, and the possible competition or mutual interaction between both states is one of the central questions of recent studies. This short review summarizes the current knowledge from an experimental as well as theoretical point of view and discusses some of the open questions and possible future developments.

scholarly journals A fresh look at an old concept: Home-range estimation in a tidy world

2020 ◽  
Author(s):  
Johannes Signer ◽  
John Fieberg
Keyword(s):  
Home Range ◽  
General Framework ◽  
Point Of View ◽  
Home Ranges ◽  
List Type ◽  
Telemetry Data ◽  
Range Estimation ◽  
Computational Point ◽  
Qualitative And Quantitative ◽  
New Methods

AbstractA rich set of statistical techniques have been developed over the last several decades to estimate the spatial extent of animal home ranges from telemetry data, and new methods to estimate home ranges continue to be developed.Here we investigate home-range estimation from a computational point of view and aim to provide a general framework for computing home ranges, independent of specific estimators.We show how such a workflow can help make home-range estimation easier and more intuitive, and we provide a series of examples illustrating how different estimators can be compared easily, so that one can perform a sensitivity analysis to determine the degree to which the choice of estimator influences qualitative and quantitative conclusions.By providing a standardized, tidy implementation of home-range estimators, we hope to equip analysts with the tools needed to explore how estimator choice influences answers to biologically meaningful questions.

scholarly journals Mechanical homeostasis in tissue equivalents: a review

2021 ◽  
Author(s):  
Jonas F. Eichinger ◽  
Lea J. Haeusel ◽  
Daniel Paukner ◽  
Roland C. Aydin ◽  
Jay D. Humphrey ◽  
...  
Keyword(s):  
Multiple Scales ◽  
Experimental Studies ◽  
Biological Tissues ◽  
Future Research ◽  
Collagen Gels ◽  
Tissue Equivalents ◽  
Current State ◽  
Open Questions ◽  
Mechanical Homeostasis ◽  
State Of Research

AbstractThere is substantial evidence that growth and remodeling of load bearing soft biological tissues is to a large extent controlled by mechanical factors. Mechanical homeostasis, which describes the natural tendency of such tissues to establish, maintain, or restore a preferred mechanical state, is thought to be one mechanism by which such control is achieved across multiple scales. Yet, many questions remain regarding what promotes or prevents homeostasis. Tissue equivalents, such as collagen gels seeded with living cells, have become an important tool to address these open questions under well-defined, though limited, conditions. This article briefly reviews the current state of research in this area. It summarizes, categorizes, and compares experimental observations from the literature that focus on the development of tension in tissue equivalents. It focuses primarily on uniaxial and biaxial experimental studies, which are well-suited for quantifying interactions between mechanics and biology. The article concludes with a brief discussion of key questions for future research in this field.

scholarly journals Zur Positionsbestimmung der empirischen Familiensoziologie

2006 ◽  
Vol 18 (2) ◽  
pp. 212-252
Author(s):  
Johannes Huinink
Keyword(s):  
Point Of View ◽  
Future Research ◽  
Sociological Research ◽  
Research Topics ◽  
Main Research ◽  
Current State ◽  
The Family ◽  
Family Sociology ◽  
Vergleichende Forschung ◽  
Critical Overview

In this article, we take a view on the current state of the art of empirical sociological research on the family and draw some conclusions concerning challenges of future research. We identify the main research topics of family sociology and provide a critical overview over the knowledge already gained and the scientific discourse in important fields of research. Deficits are addressed und future research topics are proposed. We need more research on cultural and social determinants of family dynamics, thus requiring an innovative thrust in research methods, more interdisciplinary openness and more comparative research. From the substantive point of view, more research is needed on the performance and the capabilities of families in modern societies. These research endeavours should be accompanied by a serious discussion about the future of the family. Zusammenfassung In diesem Beitrag wird, notgedrungen selektiv, der derzeitige Stand der soziologischen Familienforschung beleuchtet und es werden einige Schlussfolgerungen zu zukünftigen Aufgaben abgeleitet, denen sich die Familiensoziologie zu stellen hat. Das Forschungsprogramm der Familiesoziologie wird näher bestimmt. Darauf bezogen wird ein kritischer Überblick über den Forschungs- und Diskussionsstand in den wichtigsten Forschungsfeldern gegeben. Einige Forschungsdefizite werden diagnostiziert. Die Bestandsaufnahme mündet in die Formulierung einer Reihe von wichtigen Herausforderungen familiensoziologischer Forschung. Dazu gehört, die Analyse der kulturellen und sozialen Determinanten der Familienentwicklung zu stärken, was nur durch einen Innovationsschub in der familiensoziologischen Empirie, eine noch stärkere interdisziplinäre Ausrichtung der empirischen Familiensoziologie und mehr international vergleichende Forschung erreicht werden kann. Inhaltlich sollte die Forschung zu den Leistungen und zur Leistungsfähigkeit der Familie unter verschiedenen gesellschaftlichen Rahmenbedingungen stärker in den Vordergrund gerückt und eine engagierte Diskussion um die Zukunft der Familie initiiert werden.

scholarly journals Actions Against the Lack of Highly Skilled Workers in the Regions of Upper Austria

2020 ◽  
Vol 5 (2) ◽  
pp. 7-11
Author(s):  
Margareth Überwimmer ◽  
Denise Hurch ◽  
Georg Feichtinger
Keyword(s):  
Labor Market ◽  
Leisure Time ◽  
Point Of View ◽  
European Economic Area ◽  
Skilled Workers ◽  
Online Questionnaire ◽  
Upper Austria ◽  
Economic Area ◽  
Open Questions ◽  
The Family

Globalization, rapid technological changes and labor market developments cause that companies require different skilled employees on a continuous basis. This leads to a shortage in skilled workers in Upper Austria. In order to overcome this issue Upper Austrian regions try to attract skilled workers from abroad or people who left the region and moved to another place in Austria. In order to foster this movement Austria introduced the Red-White-Red Card in 2011, which eases the access to the labor market for skilled workers from the non-EEA (European Economic Area). An empirical study conducted in 2016 and 2017 should support the companies in evaluating their level of attractiveness from the point of view of immigrants and remigrants and should give them advice on how to increase this level. The study is made up of an online questionnaire consisting of nine dimensions, which are called welcome_here, _administration, _job, _housing, _family, _education, _leisure time, _health and _infrastructure. In every dimension challenges for the companies, needs of the employees and possible actions and solutions taken are being evaluated. The questionnaire consists of a mix of closed, multiple choice and open questions. In 2016 and 2017 in total 41 companies and 39 municipalities filled in the questionnaire. This report deals with the results of the interviews conducted with the companies. In general, companies evaluated their level of competence higher than the need for action in each of the nine dimensions, except in welcome_infrastructure. The biggest challenges for immigrating skilled workers are mainly language barriers, integration and settlement of the family/partner. From the company side it becomes visible that employers do not perceive themselves responsible for some dimensions dealing with leisure time or the family.

scholarly journals A fresh look at an old concept: home-range estimation in a tidy world

PeerJ ◽  
2021 ◽  
Vol 9 ◽  
pp. e11031
Author(s):  
Johannes Signer ◽  
John R. Fieberg
Keyword(s):  
Home Range ◽  
General Framework ◽  
Point Of View ◽  
Statistical Techniques ◽  
Home Ranges ◽  
Telemetry Data ◽  
Range Estimation ◽  
Computational Point ◽  
Qualitative And Quantitative ◽  
New Methods

A rich set of statistical techniques has been developed over the last several decades to estimate the spatial extent of animal home ranges from telemetry data, and new methods to estimate home ranges continue to be developed. Here we investigate home-range estimation from a computational point of view and aim to provide a general framework for computing home ranges, independent of specific estimators. We show how such a workflow can help to make home-range estimation easier and more intuitive, and we provide a series of examples illustrating how different estimators can be compared easily. This allows one to perform a sensitivity analysis to determine the degree to which the choice of estimator influences qualitative and quantitative conclusions. By providing a standardized implementation of home-range estimators, we hope to equip researchers with the tools needed to explore how estimator choice influences answers to biologically meaningful questions.

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