Search Results - "Haji‐Akbari, Amir"
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A fundamental wax deposition model for water‐in‐oil dispersed flows in subsea pipelines
Published in AIChE journal (01-09-2017)“…Water‐in‐oil dispersions frequently form in subsea oil pipeline transportation and their presence affects the wax deposition rate in subsea pipelines. A…”
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2
Direct calculation of ice homogeneous nucleation rate for a molecular model of water
Published in Proceedings of the National Academy of Sciences - PNAS (25-08-2015)“…Ice formation is ubiquitous in nature, with important consequences in a variety of environments, including biological cells, soil, aircraft, transportation…”
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3
Rating antifreeze proteins: Not a breeze
Published in Proceedings of the National Academy of Sciences - PNAS (05-04-2016)Get full text
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4
Computational investigation of surface freezing in a molecular model of water
Published in Proceedings of the National Academy of Sciences - PNAS (28-03-2017)“…Water freezes in a wide variety of low-temperature environments, from meteors and atmospheric clouds to soil and biological cells. In nature, ice usually…”
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5
Suppression of sub-surface freezing in free-standing thin films of a coarse-grained model of water
Published in Physical chemistry chemical physics : PCCP (01-01-2014)“…Freezing in the vicinity of water-vapor interfaces is of considerable interest to a wide range of disciplines, most notably the atmospheric sciences. In this…”
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Role of Nanoscale Interfacial Proximity in Contact Freezing in Water
Published in Journal of the American Chemical Society (10-02-2021)“…Contact freezing is a mode of atmospheric ice nucleation in which a collision between a dry ice nucleating particle (INP) and a water droplet results in…”
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7
Correlations in Charged Multipore Systems: Implications for Enhancing Selectivity and Permeability in Nanoporous Membranes
Published in ACS nano (16-01-2024)“…Nanoporous membranes have emerged as powerful tools for diverse applications, including gas separation and water desalination. Achieving high permeability for…”
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Robust Estimation of Position-Dependent Anisotropic Diffusivity Tensors from Molecular Dynamics Trajectories
Published in The journal of physical chemistry. B (12-10-2023)“…Confinement breaks translational and rotational symmetry in materials and makes all physical properties functions of position. Such spatial variations are key…”
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Effect of material flexibility on the thermodynamics and kinetics of hydrophobically induced evaporation of water
Published in Proceedings of the National Academy of Sciences - PNAS (28-03-2017)“…The evaporation of water induced by confinement between hydrophobic surfaces has received much attention due to its suggested functional role in numerous…”
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10
Divergence among Local Structure, Dynamics, and Nucleation Outcome in Heterogeneous Nucleation of Close-Packed Crystals
Published in The journal of physical chemistry letters (08-02-2024)“…Heterogeneous crystal nucleation is the dominant mechanism of crystallization in most systems, yet its underlying physics remains an enigma. While emergent…”
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Robust Estimation of Position-Dependent Anisotropic Diffusivity Tensors from Stochastic Trajectories
Published in The journal of physical chemistry. B (15-06-2023)“…Materials under confinement can possess properties that deviate considerably from their bulk counterparts. Indeed, confinement makes all physical properties…”
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Estimating Position-Dependent and Anisotropic Diffusivity Tensors from Molecular Dynamics Trajectories: Existing Methods and Future Outlook
Published in Journal of chemical theory and computation (11-06-2024)“…Confinement can substantially alter the physicochemical properties of materials by breaking translational isotropy and rendering all physical properties…”
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Introduction to Computational and Theoretical Studies Focused on Self-Assembly and Molecular Organization
Published in Journal of chemical theory and computation (27-02-2024)Get full text
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14
Effect of Pressure on the Conformational Landscape of Human γD-Crystallin from Replica Exchange Molecular Dynamics Simulations
Published in The journal of physical chemistry. B (23-05-2024)“…Human γD-crystallin belongs to a crucial family of proteins known as crystallins located in the fiber cells of the human lens. Since crystallins do not undergo…”
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Perspective: Surface Freezing in Water: A Nexus of Experiments and Simulations
Published 15-07-2017“…Surface freezing is a phenomenon in which crystallization is enhanced at a vapor-liquid interface. In some systems, such as $n$-alkanes, this enhancement is…”
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Ideal Conductor Model: An Analytical Finite-Size Correction for Nonequilibrium Molecular Dynamics Simulations of Ion Transport through Nanoporous Membranes
Published in Journal of chemical theory and computation (13-12-2022)“…Modulating ion transport through nanoporous membranes is critical to many important chemical and biological separation processes. The corresponding transport…”
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17
Disordered, quasicrystalline and crystalline phases of densely packed tetrahedra
Published in Nature (London) (10-12-2009)“…All hard, convex shapes are conjectured by Ulam to pack more densely than spheres, which have a maximum packing fraction of = /√18 0.7405. Simple lattice…”
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Single crystal texture by directed molecular self-assembly along dual axes
Published in Nature materials (01-11-2019)“…Creating well-defined single-crystal textures in materials requires the biaxial alignment of all grains into desired orientations, which is challenging to…”
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Degenerate quasicrystal of hard triangular bipyramids
Published in Physical review letters (18-11-2011)“…We report a degenerate quasicrystal in Monte Carlo simulations of hard triangular bipyramids each composed of two regular tetrahedra sharing a single face. The…”
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Nanocrystal Assemblies: Current Advances and Open Problems
Published in ACS nano (11-06-2024)“…We explore the potential of nanocrystals (a term used equivalently to nanoparticles) as building blocks for nanomaterials, and the current advances and open…”
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