Suchergebnisse - "molecular dynamics modeling"

Silk Assembly against Hydrophobic Surfaces?Modeling and Imaging of Formation of Nanofibrils

Autoren: De Oliveira, Danilo Hirabae Biler, Michal Mim, Carsten et al.

Quelle: ACS Applied Bio Materials. 6(3):1011-1018

Schlagwörter: spider silk, spidroin, MaSp, hydrophobic surfaces, nanofibrils self-assembly, atomic force microscope, cryo-electron microscopy, molecular dynamics modeling

Dateibeschreibung: electronic

Zugangs-URL: https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-193007
https://liu.diva-portal.org/smash/get/diva2:1750432/FULLTEXT01.pdf

Effect of bioactive agent glucose molecules on coal dust wettability

Autoren: LI Nannan LIANG Zidong KONG Shaoqi et al.

Quelle: 矿业科学学报, Vol 10, Iss 4, Pp 714-726 (2025)

Schlagwörter: wettability, biosurfactants, molecular dynamics modeling, coal dust suppression, glucose molecule, Engineering geology. Rock mechanics. Soil mechanics. Underground construction, TA703-712, Mining engineering. Metallurgy, TN1-997

Dateibeschreibung: electronic resource

Relation: https://doaj.org/toc/2096-2193

Zugangs-URL: https://doaj.org/article/cb98d2ff01804dc9bf196cbfafe09e3d

Grain Size-Dependent Thermal Expansion of Nanocrystalline Metals

Autoren: Olsson, Pär A T Awala, Ibrahim Holmberg-Kasa, Jacob et al.

Quelle: Materials. 16(14)

Schlagwörter: thermal expansion coefficient, nanocrystalline metals, molecular dynamics modeling, density functional theory modelling

Dateibeschreibung: electronic

Zugangs-URL: https://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-62088
https://doi.org/10.3390/ma16145032

Wetting and spreading of AgCuTi on Fe substrate at high temperatures: A molecular dynamics study

Autoren: Yulong Li Hao Wang Lei Weng et al.

Quelle: Journal of Materials Research and Technology, Vol 27, Iss, Pp 5783-5790 (2023)

Schlagwörter: Mining engineering. Metallurgy, Molecular dynamics modeling, Precursor film, TN1-997, Wetting and spreading, 02 engineering and technology, AgCuTi, 0210 nano-technology, lammps, 01 natural sciences, 0104 chemical sciences

Zugangs-URL: https://doaj.org/article/b8c61ca8218f4942ab8fe275922982ca

Storage-Induced Collapse of Lignin Macromolecular Structure and Its Impacts on the Biorefinery

Autoren: Yining Zeng Kuan-Ting Lin Renee M. Happs et al.

Schlagwörter: Genetics, Ecology, Sociology, Science Policy, Plant Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, two major approaches, molecular dynamics modeling, emerging evidence suggests, first biorefinery model, corn stover feedstock, biorefinery lignin plays, lignin macromolecular structure, understanding lignin ’, macromolecular structure, lignin ’, biorefinery operations, lignin valorization, lignin network, extracted lignin, vital role, sustainable fuels, study revealed, study investigated, study highlights, ray diffraction, process energy, previously predicted

Verfügbarkeit: https://doi.org/10.1021/acssuschemeng.5c04284.s001
https://figshare.com/articles/journal_contribution/Storage-Induced_Collapse_of_Lignin_Macromolecular_Structure_and_Its_Impacts_on_the_Biorefinery/29602177

Slow Water in Engineered Nanochannels Revealed by Color-Center-Enabled Sensing

Autoren: Daniela Pagliero Rohma Khan Kapila Elkaduwe et al.

Schlagwörter: Biophysics, Cell Biology, Molecular Biology, Biotechnology, Computational Biology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, tall channels formed, space charge fields, much reduced h, local fluidic order, leverage shallow nitrogen, engineered nanochannels revealed, molecular dynamics modeling, 2 , slow dynamics stem, slow water, trapped fluid, time resolution, results expose, required sensitivity, photogenerated carriers, notoriously difficult, mainly due, magnitude lower, experimental methods, enhanced viscosity, collective motion

Verfügbarkeit: https://doi.org/10.1021/acs.nanolett.5c01344.s001
https://figshare.com/articles/journal_contribution/Slow_Water_in_Engineered_Nanochannels_Revealed_by_Color-Center-Enabled_Sensing/29304528

Dependence of Film Porosity on the Adsorption and Removal of Organic Contaminants from the Surface of Optical Components

Autoren: Tingting Wang Qingshun Bai Xujie Liu et al.

Schlagwörter: Medicine, Microbiology, Biotechnology, Ecology, Immunology, Inorganic Chemistry, Plasma Physics, Infectious Diseases, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, molecular dynamics modeling, loading capacity enhancement, inertial confinement fusion, leaving fewer contaminants, increased porosity makes, porous silica films, optical components limits, 2 , laser removal behavior, absorb laser energy, lower removal efficiency, porosity film surfaces, contaminant adsorption capacity, 30 – 70, contaminant removal efficiency, optical components, laser energy, film porosity

Relation: https://figshare.com/articles/journal_contribution/Dependence_of_Film_Porosity_on_the_Adsorption_and_Removal_of_Organic_Contaminants_from_the_Surface_of_Optical_Components/28847892

Verfügbarkeit: https://doi.org/10.1021/acsami.5c01497.s001
https://figshare.com/articles/journal_contribution/Dependence_of_Film_Porosity_on_the_Adsorption_and_Removal_of_Organic_Contaminants_from_the_Surface_of_Optical_Components/28847892

Solvatochromic and Acid–Base Molecular Probes in Surfactant Micelles: Comparison of Molecular Dynamics Simulation with the Experiment

Autoren: Nikolay O. Mchedlov-Petrossyan Vladimir S. Farafonov Alexander V. Lebed

Quelle: Liquids, Vol 3, Iss 3, Pp 314-370 (2023)

Schlagwörter: apparent dissociation constants, surfactant micelles, QD241-441, molecular dynamics modeling, Organic chemistry, 02 engineering and technology, solvatochromic Reichardt's dyes, acid–base indicators, 0210 nano-technology, 01 natural sciences, hydration, 0104 chemical sciences

Zugangs-URL: https://doaj.org/article/0ff9c62752264dff819d6b3fb5118650

Physicochemical characteristics of chitosan molecules: Modeling and experiments

Autoren: Michna, Aneta Lupa, Dawid Płaziński, Wojciech et al.

Quelle: Advances in Colloid and Interface Science. 337:103383

Schlagwörter: chitosan molecule charge, molar mass determination, intrinsic viscosity, molecular dynamics modeling, radius of gyration, chitosan molecule conformations, Einstein viscosity increment

Zugangs-URL: https://pubmed.ncbi.nlm.nih.gov/39733532
https://www.sciencedirect.com/science/article/pii/S0001868624003063
https://doi.org/10.1016/j.cis.2024.103383
https://ruj.uj.edu.pl/handle/item/546907

SIMULATION OF LAYER BY LAYER GROWTH OF FRACTAL METAL Pt-Rh FILMS

Autoren: D.V. Ivanov V.A. Anofriev V.A. Koshelev et al.

Quelle: Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 13, Pp 682-692 (2021)

Schlagwörter: fractal dimension, tight-binding potential, molecular beam epitaxy, rhodium, Physical and theoretical chemistry, QD450-801, molecular dynamics modeling, cube counting, platinum, imaging software

Zugangs-URL: https://physchemaspects.ru/archives/2021/fh2021-doi-10-26456-pcascnn-2021-13-682.pdf
https://doaj.org/article/b260fc547c2144a3bedae5a0b65edb15

'Smart' Matrix Microneedle Patch Made of Self‐Crosslinkable and Multifunctional Polymers for Delivering Insulin On‐Demand

Autoren: Jackie Fule Liu Amin GhavamiNejad Brian Lu et al.

Quelle: Advanced Science, Vol 10, Iss 30, Pp n/a-n/a (2023)

Schlagwörter: diabetes treatment, glucose‐responsive hydrogel, matrix microneedle patch, molecular dynamics modeling, self‐crosslinking, Science

Dateibeschreibung: electronic resource

Relation: https://doaj.org/toc/2198-3844

Zugangs-URL: https://doaj.org/article/85f504a077664b6087aaacaa053e8330

SIMULATION OF THE FRACTAL METAL FILMS FORMATION

Autoren: D.V. Ivanov S.A. Vasilyev N.Yu. Sdobnyakov et al.

Quelle: Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 12, Pp 424-437 (2020)

Schlagwörter: fractal dimension, tight-binding potential, molecular beam epitaxy, copper, Physical and theoretical chemistry, QD450-801, molecular dynamics modeling, gold

Zugangs-URL: https://physchemaspects.ru/archives/2020/fh2020-doi-10-26456-pcascnn-2020-12-424.pdf
https://doaj.org/article/55924135584040a985ac1931e3cce2e5

Mechanisms of Fibroblast Growth Factor 21 Adsorption on Macroion Layers: Molecular Dynamics Modeling and Kinetic Measurements

Autoren: Monika Wasilewska Maria Dąbkowska Agata Pomorska et al.

Quelle: Biomolecules ; Volume 13 ; Issue 12 ; Pages: 1709

Schlagwörter: fibroblast growth factor 21, poly(diallyldimethylammonium chloride), molecular dynamics modeling, adsorption of growth factor, optical waveguide lightmode spectroscopy, quartz crystal microbalance, viability, cytotoxicity, mouse connective tissue fibroblasts, Chinese hamster ovary cell line

Geographisches Schlagwort: agris

Dateibeschreibung: application/pdf

Relation: Bio-Engineered Materials; https://dx.doi.org/10.3390/biom13121709

Verfügbarkeit: https://doi.org/10.3390/biom13121709

Encapsulated Nanoparticle Synthesis and Characterization for Improved Storage Fluids: Preprint

Weitere Verfasser: Blake, D

Quelle: Conference: Presented at SolarPACES 2010, 21-24 September 2010, Perpignan, France

Dateibeschreibung: Medium: ED; Size: 996 KB

Zugangs-URL: http://www.osti.gov/scitech/servlets/purl/991561

Conductive Tracks in Carbon Implanted Titania Nanotubes: Atomic-Scale Insights from Experimentally Based Ab Initio Molecular Dynamics Modeling

Autoren: Holm, Alexander Kupferer, Astrid Mändl, Stephan et al.

Schlagwörter: Conductive Tracks, Carbon Implanted Titania Nanotubes, Ab Initio Molecular Dynamics Modeling, info:eu-repo/classification/ddc/530, ddc:530

Relation: 2200063

Verfügbarkeit: https://ul.qucosa.de/id/qucosa%3A87947
https://ul.qucosa.de/api/qucosa%3A87947/attachment/ATT-0/

Investigation of Doubling Heat Capacity of Storage Fluids through Nanomaterials

Autoren: Dr. E.N. Ganesh

Schlagwörter: Nanofluids, Nanoclusters, Heat Capacity, Molecular Dynamics Modeling, Chemical Synthesis

Relation: https://zenodo.org/records/7976797; oai:zenodo.org:7976797; https://doi.org/10.54105/ijac.B2011.041322

Verfügbarkeit: https://doi.org/10.54105/ijac.B2011.041322
https://zenodo.org/records/7976797

Chitosan characteristics in electrolyte solutions : combined molecular dynamics modeling and slender body hydrodynamics

Autoren: Lupa, Dawid Płaziński, Wojciech Michna, Aneta et al.

Schlagwörter: chitosan molecule conformations, chitosan molecule charge, hydrodynamic diameter, molecular dynamics modeling, intrinsic viscosity, zeta potential

Relation: Carbohydrate Polymers, T. 292; https://ruj.uj.edu.pl/xmlui/handle/item/294555

Verfügbarkeit: https://ruj.uj.edu.pl/xmlui/handle/item/294555
https://doi.org/10.1016/j.carbpol.2022.119676

Poly-L-arginine molecule properties in simple electrolytes : molecular dynamic modeling and experiments

Autoren: Morga, Maria Batys, Piotr Kosior, Dominik et al.

Schlagwörter: conformations of poly-L-arginine, density of poly-L-arginine, electrokinetic charge of poly-L-arginine molecule, hydrodynamic diameter of poly-L-arginine, molecular dynamics modeling, poly-L-arginine solutions, viscosity of poly-L-arginine, poly-L-arginine molecule conformations and structure

Relation: International Journal of Environmental Research and Public Health, T. 19, nr 6; https://ruj.uj.edu.pl/xmlui/handle/item/291444

Verfügbarkeit: https://ruj.uj.edu.pl/xmlui/handle/item/291444
https://doi.org/10.3390/ijerph19063588

Effects of stone–wales defects of carbon nanotubes on the elastic properties of the carbon nanotube-polyethylene nanocomposite and its interface

Autoren: Wen-Jie Lei Xiao-Fan Gou

Quelle: Materials Research Express, Vol 9, Iss 5, p 055009 (2022)

Schlagwörter: CNT-polyethylene nanocomposite, stone-wales defects, interface, elastic modulus, molecular dynamics modeling, Materials of engineering and construction. Mechanics of materials, TA401-492, Chemical technology, TP1-1185

Relation: https://doi.org/10.1088/2053-1591/ac6ed0; https://doaj.org/toc/2053-1591; https://doaj.org/article/ee39b32879cc4b4e8704d8ab2d9fc180

Verfügbarkeit: https://doi.org/10.1088/2053-1591/ac6ed0
https://doaj.org/article/ee39b32879cc4b4e8704d8ab2d9fc180

Ab Initio Molecular Dynamics Investigation of Prenucleation at Liquid–Metal/Oxide Interfaces: An Overview

Autoren: Changming Fang Zhongyun Fan

Quelle: Metals, Vol 12, Iss 1618, p 1618 (2022)

Schlagwörter: liquid–metal/oxide interfaces, prenucleation, ab initio molecular dynamics modeling, heterogeneous nucleation, impurity segregation, solidification, Mining engineering. Metallurgy, TN1-997

Relation: https://www.mdpi.com/2075-4701/12/10/1618; https://doaj.org/toc/2075-4701; https://doaj.org/article/0675bdbbcdf245fd92fdf6a7b783fa0a

Verfügbarkeit: https://doi.org/10.3390/met12101618
https://doaj.org/article/0675bdbbcdf245fd92fdf6a7b783fa0a