Results 221 to 230 of about 5,248,562 (283)

Capturing Structure and Morphology in Responsive Microgels: From Intrinsic Free Energy to Collective Behavior. [PDF]

Macromolecules
Moncho-Jordá A, Cuetos A, Fernandez-Rodriguez MA, Dzubiella J, Patti A.   +4 more
europepmc   +1 more source

A Topology Optimization Framework for the Inverse Design of Nonlinear Mechanical Metamaterials

Advanced Engineering Materials, EarlyView.
This work uses topology optimization to design unit cells for mechanical metamaterials with a prescribed nonlinear stress–strain response. The framework adds contact and postbuckling modeling to synthesize microstructures for three highly nonlinear responses, including pseudoductile behavior, monostable with snap‐through buckling, and bistable ...
Charlie Aveline, Matthew Santer, Robert Hewson   +2 more
wiley   +1 more source

Computational Analysis of GAT1 Mutations: Functional Consequences from Molecular Dynamics and Binding Free Energy Calculations. [PDF]

Int J Mol Sci
Yasir M, Park J, Han ET, Park WS, Han JH, Choe J, Hassan M, Kloczkowski A, Chun W.   +8 more
europepmc   +1 more source

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

Investigation into the Adhesion Performance of the Recycled Asphalt Mastic-Limestone Filler Interface Using the Pull-Off Test and Surface Free Energy Theory. [PDF]

Materials (Basel)
Chen X, Wang B, Tang B, Liang Z, Lu X, Deng Z, Li B.   +6 more
europepmc   +1 more source

In Situ Constructed Magnetic Core‐Shell Hydrogen‐Bonded Organic Framework‐on‐Metal–Organic Framework Structure: an Efficient Catalyst for Peroxymonosulfate Activation

Advanced Functional Materials, EarlyView.
In this work, a magnetic core‐shell catalyst (HOF‐on‐Fe3O4/ZIF‐67) is successfully synthesized, consisting of a metal–organic framework (ZIF‐67) with magnetic Fe3O4 as the core and a porous hydrogen‐bonded organic framework (HOF) as the shell. The catalyst efficiently activated peroxymonosulfate, resulting in rapid and effective removal of water ...
Yingying Du, Chenhui Ding, Chao Deng, Susanta Banerjee, Seema Agarwal   +4 more
wiley   +1 more source

A Generalized Helfrich Free Energy Framework for Multicomponent Fluid Membranes. [PDF]

Membranes (Basel)
Wu H, Ou-Yang ZC.
europepmc   +1 more source

Enhancing Optoelectronic Properties in Phthalocyanine‐Based SURMOFs: Synthesis of ABAB Linkers by Avoiding Statistical Condensation with Tailored Building Blocks

Advanced Functional Materials, EarlyView.
A novel phthalocyanine (PC)‐based metal–organic framework (MOFs) is synthesized using ditopic PC linkers obtained through regioselective statistical condensation. The resulting MOF exhibits significant improvements in electronic absorption, thereby enhancing the material's performance in light harvesting and energy conversion.
Lukas S. Langer, Mareen Stahlberger, Xiaojing Liu, Yi Luo, Niklas E. Häußermann, Puja Singhvi, Yidong Liu, Olaf Fuhr, Martin Nieger, Lars Heinke, Thomas Heine, Christof Wöll, Stefan Bräse   +12 more
wiley   +1 more source

Thermodynamic free energy map for the non-oxidative glycolysis pathways. [PDF]

J Comput Aided Mol Des
Pal A.
europepmc   +1 more source

Accelerated Free Energy Estimation in <i>Ab Initio</i> Path Integral Monte Carlo Simulations. [PDF]

J Phys Chem Lett
Svensson P, Kalkavouras F, Hernandez Acosta U, Moldabekov ZA, Tolias P, Vorberger J, Dornheim T.   +6 more
europepmc   +1 more source