MOF-5 is by far the most relevant member of the new class of metal–organic framework materials and has been adopted as a case study to show that reliableab initioprediction of materials properties of complex systems can be obtained by means of a solid state computational tool like the CRYSTA...
The weight fraction, wm, of PMMA was estimated by subtraction of the known D-birch weight from the total weight of the composite. The volume fractions of the components were based on weight fractions and the densities of each constituent. The cross-sections of the materials were prepared using...
For this work, we consider a selection of experimental and ab initio data sets. The Open Quantum Materials Database (OQMD) data set contains the average formation enthalpy per atom calculated via density functional theory1. For comparison purposes we take the subset of 256,620 materials from46,...
This paper shows different examples where the architecture of cellular materials has been determined exactly using 3D X ray computed tomography. The images were then subsequently used to generate FE meshes reproducing the architecture as exactly as possible. The FE meshes where in turn used to simula...
A series of amorphous poly(etherimide)s (PEIs) was synthesized from 4,4′-(4,4′-isopropylidene-diphenoxy)bis(phthalic anhydride) and different diamines or from 4,4′-(4,4′-isopropylidene-diphenyl-1,1′-diyldioxy)dianiline and 4,4′-(hexafluoroisopropylidene)diphthalic anhydride. The struct...
Optical Properties of Materials外文学习资料.pdf,file:///C:/DOCUME~1/TSINGH~1/LOCALS~1/Temp/maftemp/1266640... Lorentz Oscillator Tuesday, February 09, 2010 4:15 PM (Reading: JDJ secion 3.5; Mark Fox 2.2;) Here we first look at the opical response of a
Fluorinated polyacrylates, an important class of semi-fluorinated materials, have earned lots of attention due to their excellent properties in the past years, such as high resistance to thermal, chemical and weather as well as low surface energy and dielectric constant [1,2]. Therefore, they ha...
Structural Materials: Properties, Misrostructure and Processing... S Nazari-Onlaghi,A Sadeghi,M Karimpour,... - 《Materials Science & Engineering A Structural Materials Properties Misrostructure & Processing》 被引量: 0发表: 2021年 Fabrication and the mechanical and physical properties of nano...
Graph neural networks (GNNs) have been used previously for identifying new crystalline materials. However, geometric structure is not usually taken into consideration, or only partially. Here, we develop a geometric-information-enhanced crystal graph neu
by laccase and comparison to bacterial and synthetic pigments Faustine Lorquin1,2, Fabio Ziarelli3, Agnès Amouric1, Carole Di Giorgio2, Maxime Robin2, Philippe Piccerelle2 & Jean Lorquin1* Pyomelanin is a polymer of homogentisic acid synthesized by microorganisms. ...