Results 71 to 80 of about 656,824 (335)
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 +6 more
wiley +1 more source
Calculating Dilepton Rates from Monte Carlo Simulations of Parton Production
, 1993 To calculate dilepton rates in a Monte Carlo simulation of ultrarelativistic heavy ion collisions, one usually scales the number of similar QCD processes by a ratio of the corresponding differential probabilities.
D. W. Duke +23 more
core +3 more sources
Advanced Functional Materials, EarlyView.This review systematically highlights the latest achievements in mixed‐valence states relevant to hydrogen and oxygen evolution reactions, providing essential insights into future directions and methods for large‐scale practical implementation. This critical review is expected to provide an overview of recent advancements in diverse valence‐state metal
Jitendra N. Tiwari +4 more
wiley +1 more source
Cost-minimization analysis favours intravenous ferric carboxymaltose over ferric sucrose for the ambulatory treatment of severe iron deficiency. [PDF]
PLoS ONE, 2012 OBJECTIVE: Intravenous iron is widely used to treat iron deficiency in day-care units. Ferric carboxymaltose (FCM) allows administration of larger iron doses than iron sucrose (IS) in each infusion (1000 mg vs. 200 mg).
Xavier Calvet +10 more
doaj +1 more source
, 2018 We implemented a fast Reciprocal Monte Carlo algorithm, to accurately solve radiative heat transfer in turbulent flows of non-grey participating media that can be coupled to fully resolved turbulent flows, namely to Direct Numerical Simulation (DNS). The
Pecnik, Rene, Silvestri, Simone
core +1 more source
Predicting Atomic Charges in MOFs by Topological Charge Equilibration
Advanced Functional Materials, EarlyView.An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
Advanced Functional Materials, EarlyView.We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu +3 more
wiley +1 more source
Speckle‐Engineered Upconversion Amplification in Nanoemulsion‐Templated Hydrogel Microdomes
Advanced Functional Materials, EarlyView.Nanoemulsion‐confined PEGDA microdomes generate speckle‐like excitation fields that strongly amplify upconversion luminescence upon dehydration, enabling filter‐free visible readout with reversible on–off switching. DMD‐based lithography yields scalable, shape‐programmable arrays for moisture‐responsive displays and optical encryption.
Chaeyeong Ryu +13 more
wiley +1 more source
Rarefied Nozzle Flow Computation Using the Viscosity-Based Direct Simulation Monte Carlo Method
FluidsMicro-nozzles are essential for enabling precise satellite attitude control and orbital maneuvers. Accurate prediction of performance parameters, including thrust and specific impulse, is critical, necessitating careful design of these nozzles. Given the
Deepa Raj Mopuru +2 more
doaj +1 more source
Algorithmic Design of Disordered Networks With Arbitrary Coordination: Application to Biophotonics
Advanced Functional Materials, EarlyView.Predictive Design of Disordered Networks: Disordered network‐like morphologies are abundant in nature, from cytoskeletal networks to bone structures and chalcogenide glasses. These structures are naturally hard to characterize. A new algorithmic tool extends the established Wooten–Weaire–Winer (WWW) algorithm to valencies above 4.
Florin Hemmann +3 more
wiley +1 more source