Results 211 to 220 of about 5,253,595 (284)

Distribution of Electrical Resistivity in Single Carbon Fiber Filaments and Its Correlation With Tensile Modulus

Advanced Engineering Materials, EarlyView.
A statistical framework is applied to quantify the distribution of electrical resistivity among individual filaments of two commercially available carbon fiber types. Correlations between filament resistivity, tensile modulus, and diameter are examined and complemented by TEM analysis to provide new insight into filament‐level variability relevant for ...
Nils Wieja, Daniel Sebastian Wolz, Philip Johannes Steinbild, Markus Löffler, Darius Pohl, Jan Wolf, Anja Winkler, Thomas Behnisch, Bernd Rellinghaus, Maik Gude   +9 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

3D‐Printed Serial Snap‐Through Architectures for Programmable Mechanical Response

Advanced Engineering Materials, EarlyView.
A serial snap‐through architecture is realized using compact 3D‐printed von Mises truss units arranged in a staged cascade. Their geometry and boundary conditions program multistage mechanical responses with plateaux and re‐hardening regimes. An inverted‐compliance model predicts these behaviors and enables analytical design of programmable force ...
Filipe A. Santos
wiley   +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

Removing Homocoupling Defects in Alkoxy/Alkyl‐PBTTT Enhances Polymer:Fullerene Co‐Crystal Formation and Stability

Advanced Functional Materials, EarlyView.
PBTTT‐OR‐R, a C14‐alkoxy/alkyl‐PBTTT polymer derivative, is of substantial interest for optoelectronics due to its specific fullerene intercalation behavior and enhanced charge‐transfer absorption. Comparing this polymer with (S) and without (O) homocoupling defects reveals that PBTTT‐OR‐R(O) forms stable co‐crystals with PC61BM, while PBTTT‐OR‐R(S ...
Zhen Liu, Jochen Vanderspikken, Paola Mantegazza, Stefania Moro, Mouna Hamid, Sigurd Mertens, Niko Van den Brande, Laurence Lutsen, Vincent Lemaur, David Beljonne, Giovanni Costantini, Koen Vandewal, Bruno Van Mele, Wouter Maes, Bart Goderis   +14 more
wiley   +1 more source

Solvation strategies for free-energy calculations in a halogen-bonded complex: implicit, explicit, and machine learning approaches. [PDF]

Chem Sci
Vacek J, Vrška D, Manna D, Lo R, Hobza P.   +4 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

A Sinking Approach to Explore Arbitrary Areas in Free Energy Landscapes. [PDF]

JACS Au
Pan Z, Li M, Chen D, Yang YI.
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

Hydration Contribution to the Solvation Free Energy of Water-Soluble Polymers. [PDF]

J Phys Chem B
Clark JA, Douglas JF.
europepmc   +1 more source