Multiscale modelling and material design of woven textiles using Gaussian processes

2022 ◽  
Author(s):  
Sumudu Herath
Keyword(s):  
Gaussian Processes ◽  
Material Design ◽  
Multiscale Modelling

scholarly journals Computational Schemes in the Design of Novel Materials for Energy Savings

2020 ◽  
Vol 17 (1) ◽  
pp. 55-61
Author(s):  
Ohunene Hafsa Aliyu
Keyword(s):  
Energy Savings ◽  
Material Design ◽  
Multiscale Modelling ◽  
Computational Time ◽  
Lightweight Materials ◽  
Scale Bridging ◽  
Current Research Interest ◽  
High Level ◽  
The Impact ◽  
Hierarchical Multiscale

The current demand for lightweight energy efficient materials in industries to help in addressing the current challenges faced in reducing green house gas emissions is one of the motivations behind innovative material design. This paper has tried to review in particular the importance of the hierarchical multiscale modelling strategy in the design of novel lightweight materials. It also highlights on one of the hierarchical multiscale modelling methodologies from ab-initio level to macro level in predicting macroscopic material behaviour and the impact this simulation strategy will have on the development of innovative materials. It highlights on the limitations of this modelling strategy such as: the unreasonable computational time associated with the relaxation of polymeric chains or entanglements as well as scale bridging approaches between low level and high level models which are areas of current research interest. Keywords: Multiscale modelling, lightweight materials, energy-efficiency, scale bridging, length scale.

Ecodesign concept case studies: Cu in electric motor and Ni in waste incinerator

2013 ◽  
Vol 1492 ◽  
pp. 79-84
Author(s):  
Tarja Laitinen ◽  
Erja Turunen ◽  
Olli Salmi ◽  
Kari Tammi ◽  
Ulla-Maija Mroueh ◽  
...  
Keyword(s):  
Energy Efficiency ◽  
Life Time ◽  
Material Design ◽  
Multiscale Modelling ◽  
Raw Material ◽  
System Level ◽  
Design Criteria ◽  
Waste Incinerator ◽  
Material Sources ◽  
First Case

ABSTRACTVTT has implemented the demand of energy and resource efficiency in the framework of Ecodesign concept covering the whole material life cycle from material sources to material design and manufacturing, component life time optimisation and finally recycling concepts. The vision of the virtually supported Ecodesign concept is to create optimized and efficient machine and device components regarding their whole lifecycle by evolving multiscale modelling.In this presentation we will introduce our development work within our Ecodesign concept by giving two case examples including Cu flow in electrical motor and Ni flow in waste incinerator. In the first case we will discuss raw material scarcity based design criteria, technological challenges and possibilities of Cu substitution and finally energy efficiency in system level. In the latter we will discuss multiscale modelling approach starting from raw materials and new design criteria regarding performance, life time, maintenance strategies and energy efficiency in system level operation.

ORGANIC (1).pdf

2017 ◽  
Author(s):  
Benjamin Sanchez-Lengeling ◽  
Carlos Outeiral ◽  
Gabriel L. Guimaraes ◽  
Alan Aspuru-Guzik
Keyword(s):  
Machine Learning ◽  
Learning Community ◽  
Chemical Species ◽  
Material Design ◽  
Organic Photovoltaic ◽  
Generative Adversarial Networks ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Photovoltaic Material

Molecular discovery seeks to generate chemical species tailored to very specific needs. In this paper, we present ORGANIC, a framework based on Objective-Reinforced Generative Adversarial Networks (ORGAN), capable of producing a distribution over molecular space that matches with a certain set of desirable metrics. This methodology combines two successful techniques from the machine learning community: a Generative Adversarial Network (GAN), to create non-repetitive sensible molecular species, and Reinforcement Learning (RL), to bias this generative distribution towards certain attributes. We explore several applications, from optimization of random physicochemical properties to candidates for drug discovery and organic photovoltaic material design.

New Insights into the Nature of the Band Gap of CuGeO3 Nanoparticles: Synthesis, Electronic Structure, and Optical and Photocatalytic Properties

2019 ◽  
Author(s):  
Victor Y. Suzuki ◽  
Luís Henrique Cardozo Amorin ◽  
Natália H. de Paula ◽  
Anderson R. Albuquerque ◽  
Julio Ricardo Sambrano ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Material Design ◽  
Photocatalytic Properties ◽  
Critical Parameters ◽  
Synthetic Approach ◽  
Microwave Assisted ◽  
Theoretical Approaches ◽  
Nanoparticles Synthesis ◽  
First Time

<p>We report, for the first time, new insights into the nature of the band gap of <a>CuGeO<sub>3</sub> </a>(CGO) nanocrystals synthesized from a microwave-assisted hydrothermal method in the presence of citrate. To the best of our knowledge, this synthetic approach has the shortest reaction time and it works at the lowest temperatures reported in the literature for the preparation of these materials. The influence of the surfactant on the structural, electronic, optical, and photocatalytic properties of CGO nanocrystals is discussed by a combination of experimental and theoretical approaches, and that results elucidates the nature of the band gap of synthetized CGO nanocrystals. We believe that this particular strategy is one of the most critical parameters for the development of innovative applications and that result could shed some light on the emerging material design with entirely new properties.</p> <p><b> </b></p>

Pengembangan Bahan Ajar Mata Pelajaran Sosiologi Siswa Madrasah Aliyah

2017 ◽  
Vol 2 (1) ◽  
pp. 51
Author(s):  
Wagimin Wagimin
Keyword(s):  
High School ◽  
Small Group ◽  
Field Test ◽  
Instructional Material ◽  
Material Design ◽  
Teaching Sociology ◽  
One To One ◽  
Teaching Learning ◽  
Developing Method ◽  
Test Result

Abstract Penelitian ini bertujuan untuk mengembangkan perangkat materi pembelajaran untuk pengajaran sosiologi guna memotivasi siswa. Penelitian ini menggunakan metode penelitian dan pengembangan guna menformulasi produk dan mengukur efektifitasnya melalui validasi dan pengujian ahli di bidangnya. Ada tiga tipe test yang digunakan yaitu, one to one, small group, dan field test yang menunjukkan bahwa desain materi tersebut efektif. Setelah melalui revisi, desain meteri pembelajaran Sosiologi dianggap bermanfaat dan dapat digunakan dalam proses belajar mengajar Kata Kunci: Perangkat pembelajaran, mata pelajaran Sosiologi, siswa Madrasah Aliyah Abstract [Tittle: The Development of Sosiology Instructional Material for The Students fo Islamic Senior High School] . The research aims at developing a set of instructional material for teaching Sociology in order to motivate the students. The researcher employed a research and developing method to formulate a product and to measure its effectiveness through validation and trial-out by the experts of content-material and material-design. There were three types of trial to test the design; one to one, small group, and field test. Based on the test result, it was found that students in average can achieve 84% of overall score which indicate that the designed material is effective. After being revised several times in each stage, the design of instructional material for Sociology subject is considered as beneficial and able to be used in the teaching learning process

Gaussian Processes for Natural Language Processing

2014 ◽  
Author(s):  
Trevor Cohn ◽  
Daniel Preotiuc-Pietro ◽  
Neil Lawrence
Keyword(s):  
Natural Language Processing ◽  
Natural Language ◽  
Language Processing ◽  
Gaussian Processes
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