Results 171 to 180 of about 35,918 (305)
, 2015 This book is written to introduce the basics of computational fluid dynamics including turbulence modelling. The book contains three parts: basic computational fluid dynamics (CFD), turbulence modelling and application of CFD to some selected problems of
Kornev, Nikolai, Cherunova, Irina
core
Phase Engineering of Nanomaterials (PEN): Evolution, Current Challenges, and Future Opportunities
Advanced Materials, EarlyView.This review summarizes the synthesis, phase transition, advanced characterization spanning ex situ to in situ and operando techniques, and diverse applications of phase engineering of nanomaterials (PEN). It further outlines key challenges and future opportunities, such as phase stability, architecture control, and artificial intelligence (AI)‐driven ...
Ye Chen +7 more
wiley +1 more source
Advanced Materials, EarlyView.This perspective critically evaluates non‐fluorinated diluents in local high‐concentration electrolytes, categorizing their solvation behavior, interfacial mechanisms, and sustainability potential to guide future electrolyte design for lithium metal batteries.
Yin Cui +8 more
wiley +1 more source
Computing the aqueous solubility of organic drug-like molecules and understanding hydrophobicity
, 2015 This thesis covers a range of methodologies to provide an account of the current (2010-2014) state of the art and to develop new methods for solubility prediction.
Mcdonagh, James, McDonagh, James L.
core
Fundamental Study of Density Functional Theory Applied to Triplet State Reactivity: Introduction of the TRIP50 Data Set. [PDF]
J Chem Theory ComputHughes WB, Popescu MV, Paton RS.
europepmc +1 more source
Advanced Materials, EarlyView.This review summarizes the principles and challenges of nonaqueous lithium‐oxygen batteries and recent advances in cathode catalysts, including carbon‐based materials, metals, oxides, sulfides, nitrides, carbides, and redox mediators. It highlights emerging design strategies and artificial intelligence‐driven approaches, emphasizing data‐assisted ...
Yuqing Yao +8 more
wiley +1 more source
Computational Estimation of Temperature-Dependent Gas Entropy of Hydrogen Isotopologues. [PDF]
ACS OmegaStratton BJ, Yildirim E, Middleburgh SC.
europepmc +1 more source
Advances in Magnesium‐Based Thermoelectrics: A Critical Review
Advanced Materials, EarlyView.Magnesium‐based thermoelectric materials have emerged as promising candidates for low‐to‐mid‐temperature energy conversion due to their abundance, low cost, and competitive performance. This review summarizes recent advances in Mg3X2, MgAgSb, and Mg2X systems, covering transport mechanisms, fabrication strategies, stability challenges, and device ...
Li‐Min Zhang +5 more
wiley +1 more source
Econophysics and the Landauer Principle: A Redefinition of Economic Temperature. [PDF]
Entropy (Basel)Bormashenko E, Shendrik I.
europepmc +1 more source
Advanced Materials, EarlyView.An orbital‐hybridizable nanoseed (OHNS) interphase induces strong orbital hybridization between Zn and carbon edges, accelerating Zn nucleation while suppressing 2D surface diffusion. This interfacial electronic regulation drives uniform, dense, and (002)‐oriented Zn growth, enabling stable and fast charging behavior in anode‐free aqueous Zn batteries.
Won‐Yeong Kim +16 more
wiley +1 more source