Results 51 to 60 of about 100,827 (266)

Mechanochemical Synthesis and Characterization of Nanostructured ErB4 and NdB4 Rare‐Earth Tetraborides

Advanced Engineering Materials, Volume 27, Issue 6, March 2025.
ErB4 and NdB4 nanostructured powders are produced by mechanochemical synthesis. 5 h mechanical alloying and 4 M HCl acid leaching are used in the production. ErB4 and NdB4 powders exhibit maximum magnetization of 0.4726 emu g−1 accompanied with an antiferromagnetic‐to‐paramagnetic phase transition at about TN = 18 K and 0.132 emu g−1 with a maximum at ...
Burçak Boztemur, Faruk Kaya, Bora Derin, Mustafa Lütfi Öveçoğlu, Ju Li, Duygu Ağaoğulları   +5 more
wiley   +1 more source

SpaGrOW—A Derivative-Free Optimization Scheme for Intermolecular Force Field Parameters Based on Sparse Grid Methods

Entropy, 2013
Molecular modeling is an important subdomain in the field of computational modeling, regarding both scientific and industrial applications. This is because computer simulations on a molecular level are a virtuous instrument to study the impact of ...
Dirk Reith, Marco Hülsmann
doaj   +1 more source

Łukasiewicz-Moisil Many-Valued Logic Algebra of Highly-Complex Systems [PDF]

, 2010
A novel approach to self-organizing, highly-complex systems (HCS), such as living organisms and artificial intelligent systems (AIs), is presented which is relevant to Cognition, Medical Bioinformatics and Computational Neuroscience.
Baianu, Professor I.C., Georgescu, Professor George, Glazebrook, Professor James F.   +2 more
core  

Quantum Size Effects on the Chemical Sensing Performance of Two-Dimensional Semiconductors

, 2012
We investigate the role of quantum confinement on the performance of gas sensors based on two-dimensional InAs membranes. Pd-decorated InAs membranes configured as H2 sensors are shown to exhibit strong thickness dependence, with ~100x enhancement in the
Ali Javey, Cui Y., Datta S., Elena Plis, Fan Z., Gámiz F., Hui Fang, Jing Guo, Junghyo Nah, Katz E., Klemic J. F., Ko H., Kong J., Law M., Lewis F. A., Liao L., Peng K. Q., S. Bala Kumar, Sanjay Krishna, Seo M.-H., Skucha K., Stern E., Strelcov E., Takei K., Wei T. Y., Xu C., Yamazoe N., Yamazoe N., Yu-Lun Chueh, Yu-Ze Chen, Zhang D., Zheng G.   +31 more
core   +1 more source

Piezoresistive Monitoring of Carbon Nanomaterial‐Reinforced Epoxy Composites Under Cyclic and Fatigue Loading: A Review

Advanced Engineering Materials, EarlyView.
Carbon nanomaterial‐reinforced epoxy composites exhibit pronounced piezoresistive behavior, enabling intrinsic damage sensing under cyclic and fatigue loading. This review critically compares carbon nanotube and graphene systems, correlating filler content, percolation threshold, and gauge factor with sensing stability and damage evolution.
J. M. Parente, J. Nunes‐Pereira, A. P. Silva, P. N. B. Reis   +3 more
wiley   +1 more source

Influence of an Argon/Silane Atmosphere on the Temperature of a Thermal Plasma

Advanced Engineering Materials, EarlyView.
The influence of a silane‐doped argon atmosphere on the chemical composition and temperature of a thermal nontransferring argon plasma is investigated using optical emission spectroscopy. As a result of the high amount of free electrons resulting from the stepwise ionization and dissociation of the silane molecule, even a silane addition of 0.01 vol ...
Lena Kreie, David Kramer, Thomas Scheithauer, Hans Jürgen Maier, Thomas Hassel   +4 more
wiley   +1 more source

Computed Quantum Chemical Modeling of the Effect of Nanosilver on Coronavirus COVID-1 [PDF]

Pharmacophore, 2021
Veronika Viktorovna Mishununa, Mansur Musaevich Chapanov, Kamilla Imranovna Gakaeva, Madina Beslanovna Tsoroeva, Salima Alberdovna Kazanova, Mariya Igorevna Gorlova, Anastasiya Aleksandrovna Blinova, Anna Aleksandrovna Remizova, Alexey Alekseevich Gvozdenko, Alexey Borisovich Golik, Daniil Remizov, Artem Evgenevich Mishvelov, Marina Petrovna Marinicheva, Sergey Nikolaevich Povetkin, Egor Leonidovich Demchenkov   +14 more
openaire   +1 more source

On‐Demand Activation of Thin Alginate Shell Encapsulated Volatile Liquid for Untethered Pneumatic Soft Actuation

Advanced Engineering Materials, EarlyView.
Phase‐changing liquids enable untethered pneumatic actuation in soft robotics but suffer from volatility and storage challenges. This work reports a simple method to encapsulate Novec 7000 within micron‐thin alginate shells via in situ injection and ionic crosslinking.
Rayan A. M. Basodan, Jack Keddie, Byoungyoul Park, Hyun‐Joong Chung   +3 more
wiley   +1 more source

Quantum Chemical Study of the Structure and Properties of a Quinolysine Alkaloid Derivative Molecule

Қарағанды университетінің хабаршысы. Физика сериясы
Derivatives of quinolisidine alkaloids obtained from plants of the genus Lupinus and Anabasis is one of such important compounds from the point of view of searching for new biologically active substances.
K.B. Kopbalina, A.S. Makhmutova, D.M. Turdybekov, M.B. Smirnov, N.Kh. Ibraev   +4 more
doaj   +1 more source

Rapidly Achieving Chemical Accuracy with Quantum Computing Enforced Language Model

Finding accurate ground state energy of a many-body system has been a major challenge in quantum chemistry. The integration of classic and quantum computers has shed new light on resolving this outstanding problem. Here we propose QiankunNet-VQE, a transformer based language models enforced with quantum computing to learn and generate quantum states ...
Shang, Honghui, Zeng, Xiongzhi, Gong, Ming, Wu, Yangju, Guo, Shaojun, Qian, Haoran, Zha, Chen, Fan, Zhijie, Yan, Kai, Zhu, Xiaobo, Li, Zhenyu, Luo, Yi, Pan, Jian-Wei, Yang, Jinlong   +13 more
openaire   +2 more sources