Results 71 to 80 of about 207,343 (281)

Reactions at surfaces studied by ab initio dynamics calculations

, 1998
Due to the development of efficient algorithms and the improvement of computer power it is now possible to map out potential energy surfaces (PES) of reactions at surfaces in great detail.
Gross, Axel
core   +1 more source

Affecting the Properties of Copper–Graphene Electroconductive Composite by Severe Plastic Deformation

Advanced Engineering Materials, EarlyView.
Copper‐based composites enhanced with carbon feature convenient mechanical properties and favorable electric conductivity. Processing via deformation and thermomechanical treatments can introduce advantageous microstructures further enhancing their performance. Herein, copper–graphene powder‐based composites are directly consolidated via rotary swaging
Radim Kocich, Lenka Kunčická, Pavel Czernek, Zifan Wang   +3 more
wiley   +1 more source

Laboratory photo-chemistry of covalently bonded fluorene clusters: observation of an interesting PAH bowl-forming mechanism

, 2019
The fullerene C$_{60}$, one of the largest molecules identified in the interstellar medium (ISM), has been proposed to form top-down through the photo-chemical processing of large (more than 60 C-atoms) polycyclic aromatic hydrocarbon (PAH) molecules. In
Chen, Tao, Linnartz, Harold, Si, Yubing, Tielens, Alexander G. G. M., Zhang, Weiwei, Zhen, Junfeng   +5 more
core   +1 more source

Copper Nanocrystallization in Anodic Oxide Films of Ti–Cu‐Based Bulk Metallic Glass and Its Effect on the Corrosion Resistance and Cytocompatibility

Advanced Engineering Materials, EarlyView.
Viktoriia Shtefan, Thorgund Nemec, Ute Hempel, Annett Gebert and coworkers demonstrate that anodic treatment of Ti–Cu‐based metallic glass in a nontoxic pyrophosphate electrolyte forms a protective bilayered Ti/Zr‐oxide film enriched with Cu nanocrystals.
Viktoriia Shtefan, Nora Fernández Navas, Thorgund Nemec, Ivan Kaban, Ute Hempel, Andrea Voss, Volker Hoffmann, Darius Pohl, Annett Gebert   +8 more
wiley   +1 more source

Discrete kink dynamics in hydrogen-bonded chains I: The one-component model [PDF]

, 2002
We study topological solitary waves (kinks and antikinks) in a nonlinear one-dimensional Klein-Gordon chain with the on-site potential of a double-Morse type. This chain is used to describe the collective proton dynamics in quasi-one-dimensional networks
A. Godzik, A. V. Zolotaryuk, A.V. Savin, A.V. Savin, A.V. Zolotaryuk, A.V. Zolotaryuk, Chung-I Chou, D.B. Duncan, E.S. Kryachko, E.S. Kryachko, E.S. Kryachko, J.C. Eilbeck, J.F. Nagle, J.H. Weiner, J.L. Marín, J.M. Speight, J.M. Speight, M. Büttiker, M. Büttiker, M. Peyrard, M. Peyrard, M.H. Jensen, N.J. Balmforth, O.M. Braun, O.M. Braun, P. L. Christiansen, R. Grauer, S. Flach, S. Pnevmatikos, S. Pnevmatikos, S. Scheiner, S.F. Mingaleev, V. M. Karpan, V.H. Schmidt, X. Duan, Y. Kashimori, Y. Zolotaryuk, Y. Zolotaryuk, Y.P. Mei, Y.S. Kivshar   +39 more
core   +2 more sources

Direct Metal Deposition of Graphene–Ti28Nb35.4Zr Matrix Composites With Enhanced Mechanical, Corrosion, and Biocompatibility Properties for Bone Implants

Advanced Engineering Materials, EarlyView.
Graphene nanoplatelet (0.1 wt.%) reinforcement significantly enhances the performance of β Ti‐28Nb‐35.4Zr alloy. Grain refinement, reduced water contact angle, and improved surface characteristics promote osteoblast adhesion and complete surface coverage after 7 days.
Khurram Munir, Jixing Lin, Yuncang Li, Li Zhu, Paul F. A. Wright, Cuie Wen   +5 more
wiley   +1 more source

Elucidating the Three‐Dimensional Structure of Piracetam through Rotational Spectroscopy

ChemistryOpen
Herein we report on the most stable structures adopted by piracetam, a nootropic drug, in isolated conditions. A chirped pulse Fourier transform microwave spectrometer (CP‐FTMW) coupled with a laser ablation source has been employed to explore the ...
S. Mato, S. Municio, Prof. J. L. Alonso, Dr. E. R. Alonso, Dr. I. León   +4 more
doaj   +1 more source

In silico approaches of gandarusa (Justicia gendarussa Burm. f.) potential for osteoporosis prevention via EGF pathway [PDF]

Journal of Pharmacy & Pharmacognosy Research
Context: On a cellular level, osteoporosis is a metabolic bone disease caused by osteoclastic bone resorption that is not offset by osteoblastic bone synthesis. This increases the risk of fractures by making bones weak and brittle.
Sri Dinengsih, Nurdiana, Sri Winarsih, Bambang Raharjo, Agustina Tri Endharti   +4 more
doaj   +1 more source

Electrochemical Behavior of Flame‐Sprayed Sc‐Doped AlCoCrFeMo High‐Entropy Alloy Coatings in 3.5% Sodium Chloride Solution

Advanced Engineering Materials, EarlyView.
Scandium (Sc)‐doped AlCoCrFeMo HEA coatings are fabricated via flame spraying with 0.1, 0.3, and 0.5 wt% Sc additions. Among these, the HEA‐Sc0.3 coating exhibits the highest corrosion resistance, indicated by a more positive corrosion potential and lower current density.
Pankaj Kumar, Akash Vyas, Mohammad Aatif Qazi, Nashit Jalal, Maria Ophelia Jarligo, Mostafa Yakout, Jing Liu, André McDonald   +7 more
wiley   +1 more source

Vacancy Engineered Zero‐Valent Iron Steer Hydrogen Spillover toward Per‐ and Polychlorinated Organics Rapid Complete Dechlorination

Advanced Science
The elevated toxicity and persistent bioaccumulative propensity of per‐ and polychlorinated organics (PCOs) pose a substantial environmental hazard; however, current dechlorination technologies encounter challenges in surmounting the cumulative reductive
Zimin Yan, Bin Wu, Zhiling Li, Tianyi Huang, Di Cao, Yunxia Zu, Shih‐Hsin Ho, Aijie Wang   +7 more
doaj   +1 more source