Results 141 to 150 of about 291,774 (264)

A review on molecular simulations for the rupture of cross-linked polymer networks. [PDF]

Sci Technol Adv Mater
Masubuchi Y, Ishida T, Koide Y, Uneyama T.   +3 more
europepmc   +1 more source

Embedded Ferroelectric Nanoclusters Can Drive Polarization Reversal in a Non‐Ferroelectric Polar Film via the Proximity Effect

Advanced Functional Materials, EarlyView.
Ferroelectric nanoclusters create local internal fields in a normally non‐switchable polar film because of polarization mismatch at their interfaces. That field opposes polarization in the regions with larger polarization and reinforces polarization in the regions with smaller polarization.
Anna N. Morozovska, Eugene A. Eliseev, Sergei V. Kalinin, Long‐Qing Chen, Dean R. Evans, Venkatraman Gopalan   +5 more
wiley   +1 more source

Molecular simulations [PDF]

Current Biology, 1998
openaire   +1 more source

Vitexin attenuates gastric precancerous lesions with EGFR as a potential target based on network pharmacology and molecular simulations. [PDF]

Sci Rep
Liu J, Liu N, Ye Y, Ye Z, Jiang D, Huang S.   +5 more
europepmc   +1 more source

Single‐Step Recovery of Water from Stable Crude Oil‐Water Emulsion Using Surface Engineered Hybrid Inorganic‐Polymer Membranes

Advanced Functional Materials, EarlyView.
Atomic layer deposition is used to conformally surface engineer polymeric membranes to fabricate inorganic–organic hybrid membranes. These membranes have exceptionally strong attraction toward water even in high oil containing emulsions, which leads to an extremely strong hydration layer at the interface.
Bratin Sengupta, Yining Liu, Gaurab Sarkar, Rouke Cai, Katrina Sparks, Chi Thang Nguyen, Tamar Segal‐Peretz, Seth B. Darling, Jeffrey W. Elam   +8 more
wiley   +1 more source

Deciphering the complexities of crystalline state(s) with molecular simulations. [PDF]

Commun Chem
Desgranges C, Delhommelle J.
europepmc   +1 more source

From Photoalignment to Structured Light: Liquid Crystal Platforms for Beam Shaping and Complex Wavefronts

Advanced Functional Materials, EarlyView.
Photoaligned and photopatterned liquid crystal platforms provide programmable control of optical phase, polarization, and spin‐orbit interactions, enabling compact generation of structured light and complex wavefronts. This review highlights how tailored molecular orientations transform simple beams into designed optical fields, opening versatile ...
Le Zhou, Tingjun Zhong, Sijie Liu, Pouya Nosratkhah, Ke Xu, Yuzhen Zhao, Kristiaan Neyts   +6 more
wiley   +1 more source

Identifying phase transitions in zeolitic imidazolate frameworks: microscopic insight from molecular simulations. [PDF]

Chem Sci
Triestram L, Coudert FX.
europepmc   +1 more source

Performance Enhancement of Tin Chloride‐Incorporated Ferroelectric Polymer‐Based Artificial Synapse for Hardware Neural Networks

Advanced Functional Materials, EarlyView.
This paper proposes a highly efficient ferroelectric artificial synapse device based on an oxide semiconductor and SnCl2‐inserted P(VDF‐TrFE) gate dielectric layer. This FeFET significantly improved the synaptic performance due to the ion‐dipole interaction.
Hyun‐Soo Kim, Hyunkyu Lee, Yeonho Choi, Won Young Jang, Hyungmin Kim, Krishna Moorthy Ponnusamy, Hongseung Lee, Jaewook Yoo, Ji Ye Lee, S. Chandramohan, Seongin Hong, Hagyoul Bae, Hyeon‐Sik Jang, Sang Yeol Lee, Keun Heo   +14 more
wiley   +1 more source

Loop dynamics, allostery, and function in protein tyrosine phosphatases: insights from molecular simulations. [PDF]

Biochem Soc Trans
Welsh CL, Kamerlin SCL.
europepmc   +1 more source