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Constructing high‐dimensional neural network potentials: A tutorial review

Jörg Behler2015-03-06International Journal of Quantum Chemistry

A lot of progress has been made in recent years in the development of atomistic potentials using machine learning (ML) techniques. In contrast to most conventional potentials, which are based on physical approximations and simplifications to derive an analytic functional relation between the atomic configuration and t…

Crystallography and molecular interactionsX-ray Diffraction in CrystallographyMachine Learning in Materials Science

Nitrogenated holey two-dimensional structures

Javeed Mahmood、Eun Kwang Lee、Minbok Jung 等 14 位作者2015-03-06Nature Communications

Recent graphene research has triggered enormous interest in new two-dimensional ordered crystals constructed by the inclusion of elements other than carbon for bandgap opening. The design of new multifunctional two-dimensional materials with proper bandgap has become an important challenge. Here we report a layered tw…

Graphene research and applicationsSemiconductor materials and devices2D Materials and Applications

Jakie tektury faliste s� dobre dla IKEA

EL�BIETA BARANEK2015-03-05PRZEGLĄD PAPIERNICZY

Wydawnictwo SIGMA-NOT wydaje czasopisma fachowe informujące swoich czytelników o najnowszych osiągnięciach naukowych i nowoczesnych rozwiązaniach technicznych w Polsce i na świecie, popularyzuje problemy techniczne oraz poszerza wiedzę i kulturę techniczną.

Textile materials and evaluationsEngine and Fuel Emissions

金属有机骨架(MOFs)为壳的核壳结构材料研究进展

农洁静、赵文波、覃显业 等 5 位作者2015-03-05化工进展

MOFs核壳结构材料是近十几年来化工材料领域的研究热点,其中MOFs可作核,亦可作壳。本文从不同的核出发综述了以MOFs为壳的核壳结构材料的合成方法,如外延生长法、后合成修饰法等;概述了其展现出优于核层与壳层的特性(如选择性分离、催化性、磁性等)及以MOFs为壳的核壳结构材料在气体吸附、催化剂、磁性分离等应用上的研究,这给MOFs复合材料的产业化带来很大的潜力;而内核主要包括单质金属及非金属类内核、氧化物类内核、MOFs类内核;最后对MOFs为壳的核壳结构复合材料合成方法的改进和拓展、结构均一稳定、多功能化的发展作了展望。

Energetic Materials and CombustionMagnesium Oxide Properties and ApplicationsMetal-Organic Frameworks: Synthesis and Applications

utilities: First release

Filipe2015-03-05Zenodo (CERN European Organization for Nuclear Research)

Utilities is a collection of misc function used in IOOS/SECOORA notebooks.

Metallurgy and Material ScienceEducational Robotics and EngineeringMathematics Education and Programs

The Roles of Materials, Processing, and Design in Quantum Information Circuits

David P. Pappas2015-03-05Bulletin of the American Physical Society

progress has been made in the coherence of superconducting circuits for resonators and qubits. Over the last decade, the importance of loss and decoherence from defects at interfaces and on surfaces has been recognized and mitigated by optimizing the materials and minimizing their participation in the circuit. This ha…

Electronic and Structural Properties of Oxides

MECHANICAL PROPERTIES OF TI6AL7NB ALLOY QUENCHED FROM THE SINGLE PHASE β RANGE

ROBERT D�BROWSKI2015-03-05RUDY I METALE NIEŻELAZNE

Wydawnictwo SIGMA-NOT wydaje czasopisma fachowe informujące swoich czytelników o najnowszych osiągnięciach naukowych i nowoczesnych rozwiązaniach technicznych w Polsce i na świecie, popularyzuje problemy techniczne oraz poszerza wiedzę i kulturę techniczną.

MXene and MAX Phase MaterialsIntermetallics and Advanced Alloy PropertiesTitanium Alloys Microstructure and Properties

Nanow��kna celulozowe o w�a�ciwo�ciach antybakteryjnych

ANNA PINAR2015-03-05Przegląd Włókienniczy - Włókno, Odzież, Skóra

Wydawnictwo SIGMA-NOT wydaje czasopisma fachowe informujące swoich czytelników o najnowszych osiągnięciach naukowych i nowoczesnych rozwiązaniach technicznych w Polsce i na świecie, popularyzuje problemy techniczne oraz poszerza wiedzę i kulturę techniczną.

Nanoparticles: synthesis and applications

STOPOWANIE POWIERZCHNI MAGNEZU METOD� SPAWALNICZ� PRZY U�YCIU DRUTU AlMg4,5Mn

R. Mola2015-03-05RUDY I METALE NIEŻELAZNE

Wydawnictwo SIGMA-NOT wydaje czasopisma fachowe informujące swoich czytelników o najnowszych osiągnięciach naukowych i nowoczesnych rozwiązaniach technicznych w Polsce i na świecie, popularyzuje problemy techniczne oraz poszerza wiedzę i kulturę techniczną.

Magnesium Alloys: Properties and ApplicationsAluminum Alloys Composites PropertiesMagnetic Properties of Alloys

双亲嵌段共聚物PSt-b-P(St-alt-MA)-b-PAA的自组装行为

张元中、闫晓辉、应宗荣 等 5 位作者2015-03-05化工进展

以三硫代碳酸二(α,α′-二甲基-α-乙酸)酯(BDATC)为链转移剂,以苯乙烯、马来酸酐、丙烯酸为原料,通过可逆加成-断裂链转移(RAFT)合成了双亲嵌段共聚物PSt-b-P(St-alt-MA)-b-PAA。通过选择性溶剂N,N-二甲基甲酰胺(DMF)诱导聚合物进行自组装,利用紫外-可见光光度仪、纳米激光粒度仪详细研究了共聚物中亲疏水嵌段长度、初始浓度、体系p H值对聚合物自组装行为的影响。通过化学交联的方法制备得到了聚合物交联胶束,利用透射电镜表征了形貌与尺寸,研究明确了其形状和尺寸的稳定性。结果表明,上述因素均会影响共聚物的自组装行为和自组装胶束的形态,经乙二胺交联得到的交联自组装胶束平均粒径为145.4nm,并具有良好的…

Hydrogels: synthesis, properties, applicationsAdvanced Polymer Synthesis and CharacterizationPolymer Surface Interaction Studies

Deposition and adsorption of organic matter in the sub-monolayer range studied by experimental and numerical techniques

Canan Turgut2015-03-05Publications Et Travaux Academiques de Lorraine (Universite de Lorraine)

Plasma surface treatments present an efficient, economical and ecological tool for surface functionalization. For this technique the deposition and adhesion of molecules and precursors in the sub-monolayer range are of utmost interest, since this layer defines the surface properties and the adhesion between deposit an…

Metal and Thin Film MechanicsIon-surface interactions and analysisDiamond and Carbon-based Materials Research

Deposition and adsorption of organic matter in the sub-monolayer range studied by experimental and numerical techniques

Canan Turgut2015-03-05OpenAlex

Étude de la déposition et de l'absorption de la matière organique à l'échelle subatomique par des techniques expérimentales et de simulation numérique Les traitements plasma présentent un outil efficace, économique et écologique pour la fonctionnalisation de surfaces. Pour cette technique, l’étude du dépôt et de l’adh…

Ion-surface interactions and analysisSurface Modification and SuperhydrophobicityPlasma Applications and Diagnostics

Synthèse par faisceaux d'ions de nanocristaux semi-conducteurs fonctionnels en technologie silicium

Rim Khelifi2015-03-05OpenAlex

Les boîtes quantiques sous formes de nanocristaux semi-conducteurs permettent de réaliser des matériaux à énergie de gap variable, propriété très intéressante pour les composants optoélectroniques. Ce travail est dédié à la création de nanocristaux de silicium dopés enfouis dans SiO2 et de nanocistaux binaires (InAs e…

Semiconductor materials and interfacesSemiconductor materials and devicesSilicon Nanostructures and Photoluminescence

Systèmes disperses pour l’administration orale de paclitaxel à base de microemulsion et de nanocapsules mucoadhesives contenant de l’huile de copaïba

Francisco Humberto Xavier-Júnior2015-03-05OpenAlex

La voie orale suscite un intérêt pour l'administration des médicaments anticancéreux, qui sont encore administrés essentiellement par voie parentérale. En effet, la biodisponibilité des principes actifs est fortement limitée par leurs propriétés physico-chimiques et des facteurs physiologiques. L'utilisation de systèm…

Nanoparticle-Based Drug DeliveryAdvanced Drug Delivery SystemsDrug Solubulity and Delivery Systems

Performances tribologiques d'un carbure de silicium pour paliers d'étanchéité dynamique fonctionnant en conditions sévères

Stéphanie Lafon-Placette2015-03-05OpenAlex

Les organes de frottement en carbure de silicium répondent à des critères de fonctionnement exigeants grâce aux propriétés offertes par cette céramique. Son faible coefficient de dilatation thermique et sa bonne conductivité thermique la rendent moins sensible aux chocs thermiques que les autres céramiques et particul…

Advanced ceramic materials synthesisMechanical stress and fatigue analysisDiamond and Carbon-based Materials Research

Earth & Environmental Sciences Academic Program Review, 2014

Wright State University College of Science and Mathematics2015-03-05CORE Scholar (Wright State University)

This 23 page report reviews several programs from Wright State University's Department of Earth & Environmental Sciences, specifically looking at the time from Fall 2009 to Fall 2014. Programs Reviewed: Earth & Environmental Sciences (BA, BS, and MS) Environmental Heath Sciences Concentration Earth Science

Water Quality and Resources StudiesEarthquake and Disaster Impact StudiesEngineering and Material Science Research

Light olefins production from ethanol in ZSM-5 synthesized without nitrogenous template

Jalusa Konzen Albiero2015-03-05LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas)

The petrochemical industry is currently strongly based on the production of light olefins ethylene and propylene, which are mainly produced by hydrocarbons from oil. Due to the environmental appeal and unstable oil market scenario, alternative routes to the production of these olefins are being developed, meanly regar…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisCatalysts for Methane Reforming

Impulse impedance evaluation in a grounding system.

Marconni Freitas Barroso Ribeiro Gonçalves2015-03-05LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas)

Neste trabalho foi realizado um estudo experimental para a análise do comportamento da impedância impulsiva em um sistema de aterramento. Com o objetivo de avaliar a impedância impulsiva, foram aplicados no solo impulsos de corrente elétrica (representativos de descargas atmosféricas) com diferentes tempos de frente e…

Lightning and Electromagnetic PhenomenaPower Systems Fault DetectionHigh voltage insulation and dielectric phenomena

Material selection for a transportation package of Mo-99

Débora Harumi Suzuki Hara2015-03-05LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas)

O transporte de materiais radioativos deve ser realizado em embalados capazes de suportar tanto condições normais, quanto acidentais de transporte. O objetivo deste trabalho foi a seleção de materiais que possam viabilizar a fabricação de um embalado para o transporte de substâncias que sejam fontes de alta radioativi…

Graphite, nuclear technology, radiation studiesNuclear and radioactivity studiesRadiation Shielding Materials Analysis

Estimation of distribution algorithms for ab initio protein structure prediction

Daniel Bonetti2015-03-05LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas)

As proteínas são moléculas que desempenham funções essenciais para a vida. Para entender a função de uma proteína é preciso conhecer sua estrutura tridimensional. No entanto, encontrar a estrutura da proteína pode ser um processo caro e demorado, exigindo profissionais altamente qualificados. Neste sentido, métodos co…

Protein Structure and DynamicsMachine Learning in BioinformaticsEnzyme Structure and Function