Cover Image

Quasicrystal bulk and surface energies from density functional theory

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Baek, Woohyeon, Das, Sambit, Tan, Shibo, Gavini, Vikram, Sun, Wenhao
Format:	Preprint
Published:	2024
Subjects:	Materials Science Soft Condensed Matter
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Structural and dynamical investigation of glassforming smectogen by X-ray diffraction and infra-red spectroscopy aided by density functional theory calculations
by: Deptuch, Aleksandra, et al.
Published: (2024)

Mesoscale Field Theory for Quasicrystals
by: De Donno, Marcello, et al.
Published: (2024)

Extended free-energy functionals for achiral and chiral ferroelectric nematic liquid crystals
by: Zou, Yu, et al.
Published: (2024)

A Harris-type van der Waals density functional scheme
by: Berland, Kristian, et al.
Published: (2013)

How glass breaks -- Damage explains the difference between surface and fracture energies in amorphous silica
by: Molnár, Gergely, et al.
Published: (2024)

Bioinspired multi-asymmetric magnetized surfaces for tailoring energy-free liquid manipulation and 3-DOF solid transportation
by: Miao, Jiaqi
Published: (2023)

Unravelling 2,4-D -- biochar interactions by molecular dynamics: adsorption modes and surface functionalities
by: Wood, Rosie, et al.
Published: (2025)

Solid-liquid interfacial free energy from computer simulations: Challenges and recent advances
by: Di Pasquale, Nicodemo, et al.
Published: (2024)

Simulation of the carbon dioxide hydrate-water interfacial energy
by: Acuña, Jesús Algabaa Esteban, et al.
Published: (2026)

Predictive orientational phase behavior in convex polyhedral entropic crystals
by: Kundu, Sumitava, et al.
Published: (2024)

Twist-Free Enhancement of Strength and Modulus in Electrospun Yarns via Liquid-Assisted Capillary Densification
by: Mandal, Saujatya, et al.
Published: (2025)

Stiffness, strength, energy dissipation and reusability in heterogeneous architected polycrystals
by: Lee, Seunghwan, et al.
Published: (2025)

The emergence of bulk structure in clusters via isotropic multi-well pair potentials
by: Doyle, Jennifer E., et al.
Published: (2024)

Auxetic polymer networks: The role of crosslinking, density and disorder
by: Ninarello, Andrea, et al.
Published: (2023)

Surfactant-Driven Dynamic Changes in Rheology of Activated Carbon Slurry Electrodes
by: Das, Mohan, et al.
Published: (2024)

Tuning energy dissipation via topologically electro-convoluted lipid-membrane boundary layers
by: Jin, Di, et al.
Published: (2023)

All-organic self-separating three-dimensionally nanoarchitected electrochemical energy storage devices
by: Tait, William R. T., et al.
Published: (2026)

Evaluating fracture energy predictions using phase-field and gradient-enhanced damage models for elastomers
by: Mousavi, S. Mohammad, et al.
Published: (2024)

On the temperature dependence of the density of states of liquids at low energies
by: Jin, Sha, et al.
Published: (2023)

Dislocation dynamics on deformable surfaces
by: De Donno, Marcello, et al.
Published: (2026)

Direct measurement of surface interactions experienced by sticky microcapsules made from environmentally benign materials
by: Yu, Hairou, et al.
Published: (2024)

Convective Preheating Enhances Front Propagation in DCPD Frontal Polymerization
by: Kumar, M Vijay, et al.
Published: (2026)

An electronic structure investigation of PEDOT with AlCl4- anions, a promising redox combination for energy storage applications
by: Craig, Ben, et al.
Published: (2023)

Paste extrusion generates a surface lubrication layer
by: Benders, Richard T., et al.
Published: (2024)

A method to measure the embedded crack length and position in high-density polyethylene using microseconds ultrasound time signal
by: Niu, Sijun, et al.
Published: (2023)

Dilatancy-induced surface deformation in dense cohesive granular media
by: Rahim, Huzaif, et al.
Published: (2026)

Cooperative lattice theory for CO2 adsorption in diamine-appended metal organic framework at humid direct air capture conditions
by: Marshall, Bennett, et al.
Published: (2024)

A Geometric Mapping from Rectilinear Material Orthotropy to Isotropy: Insights to Plates and Shells
by: Sun, Wenqian, et al.
Published: (2023)

Mixed equilibrium/nonequilibrium effects govern surface mobility in polymer glasses
by: Xu, Jianquan, et al.
Published: (2024)

On the effect of isotropic and anisotropic dissipative response functions with associated and non-associated flow on the inelastic behaviour of polymeric composites
by: Nagaraja, Swaroop Gaddikere, et al.
Published: (2024)

Depth-dependent interplay of dynamical heterogeneity and chain dynamics at the surface of glass-forming polymers
by: Ma, Bao T., et al.
Published: (2026)

pH Regulates Ion Dynamics in Carboxylated Mixed Conductors
by: Sun, Zeyuan, et al.
Published: (2025)

Defects Enhance Stability in 12-fold Symmetric Soft-Matter Quasicrystals
by: Ulugöl, Alptuğ, et al.
Published: (2024)

Trapping of isotropic droplets by disclinations in nematic liquid crystals controlled by surface anchoring and elastic constant disparity
by: Haputhanthrige, Nilanthi P., et al.
Published: (2024)

Molecular Dynamics Simulations of Anisotropic Particles Accelerated by Neural-Net Predicted Interactions
by: Argun, B. Rusen, et al.
Published: (2024)

Engineering phase-frustration induced flat bands in an aza-triangulene covalent Kagome lattice
by: Yan, Yuyi, et al.
Published: (2025)

Design and demonstration of a direct air capture system with moisture-driven CO2 delivery into aqueous medium
by: Flory, Justin, et al.
Published: (2025)

Dynamical Classification of Supercooled Liquids: Critical Cooling Rates and Entropic Signatures
by: Zhang, B, et al.
Published: (2025)

Scaling in Kinetics of Supercooled Liquids
by: Zhang, B., et al.
Published: (2023)

Automating Blueprints for Colloidal Quasicrystal Assembly
by: Pinto, Diogo E. P., et al.
Published: (2024)