ELATE: An open-source online application for analysis and visualization of elastic tensors
arXiv:1602.06175 · doi:10.1088/0953-8984/28/27/275201
Abstract
We report on the implementation of a tool for the analysis of second-order elastic stiffness tensors, provided with both an open-source Python module and a standalone online application providing visualization tools of anisotropic mechanical properties. After describing the software features, how we compute the conventional elastic constants and how we represent them graphically, we explain our technical choices for the implementation. In particular, we focus on why a Python module is used to generate the HTML web page with embedded Javascript for dynamical plots.
References in corpus (2)
Cited by in corpus (43)
- MechElastic: A Python Library for Analysis of Mechanical and Elastic Properties of Bulk and 2D Materials
- ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials
- Quantitative Study on Current-Induced Effect in an Antiferromagnet Insulator/Pt Bilayer Film
- Structural, electronic, elastic, power and transport properties of -GaO from first-principles
- Origin of high hardness and optoelectronic and thermo-physical properties of boron-rich compounds B6X (X = S, Se): a comprehensive study via DFT approach
- Phonon Coherence and Its Effect on Thermal Conductivity of Nanostructures
- Enhanced thermo-mechanical properties of 212 MAX phase borides Zr2AB2 (A = In, Tl): an ab-initio understanding
- Ab-initio insights into the elastic, bonding, phonon, optoelectronic and thermophysical properties of SnTaS2
- Family of Two Dimensional Transition Metal Dichlorides Fundamental Properties, Structural Defects, and Environmental Stability
- An equivariant graph neural network for the elasticity tensors of all seven crystal systems
- Origins of anisotropic thermal expansion in flexible materials
- Assessment of mechanical, thermal properties and crystal shapes of monoclinic tricalcium silicate from atomistic simulations
- Elastic constants and thermodynamics properties of pristine PEDOT revealed: A first-principles PBE/PBE PAW approach
- Theory of magnetoelastic resonance in a mono-axial chiral helimagnet
- Polarizable Potentials For Metals: The Density Readjusting Embedded Atom Method (DR-EAM)
- Anomalous thermal expansion and chiral phonons in BiBO
- MyElas: An automatized tool-kit for high-throughput calculation, post-processing and visualization of elasticity and related properties of solids
- van der Waals forces stabilize low-energy polymorphism in B2O3: Implications for the crystallization anomaly
- Prediction and Characterization of Two-Dimensional Zn2VN3
- Accurate prediction of structural and mechanical properties on amorphous materials enabled through machine-learning potentials: a case study of silicon nitride
- Giant Tuning of Electronic and Thermoelectric Properties by Epitaxial Strain in p-Type Sr-Doped LaCrO3 Transparent Thin Films
- Incorporation of Si atoms into CrCoNiFe high-entropy alloy: a DFT study
- Synthesis of VO Nanoplates
- Physical properties of new MAX phase borides M2SB (M = Zr, Hf and Nb) in comparison with conventional MAX phase carbides M2SC (M = Zr, Hf and Nb): Comprehensive insights
- On the determination of the thermal shock parameter of MAX phases: A combined experimental-computational study
- Thermal and mechanical properties and the structural phase transition under pressure in InAs ( = Ca, Sr, Ba)
- Pressure dependence of structural, elastic, electronic, thermodynamic, and optical properties of van der Waals-type NaSn2P2 pnictide superconductor: insights from DFT study
- Combining Brillouin spectroscopy and machine learned interatomic potentials to probe mechanical properties of metal organic frameworks
- Effect of spin-orbit coupling on the elastic, mechanical, and thermodynamic properties of Bi-Sb binaries
- Towards atomistic understanding of Iron phosphate glass: a first-principles based DFT modeling and study of its physical properties
- Structural, elastic, bonding, optoelectronic, and some thermo-physical properties of transition metal dichalcogenides ZrX2 (X = S, Se, Te): Insights from ab-initio calculations
- Theoretical study of phase transitions in Sb2S3, Bi2S3 and Sb2Se3 under compression
- VelCrys: Interactive web-based application to compute acoustic wave velocity in crystals and its magnetic corrections
- Newly synthesized 3D boron-rich chalcogenides B12X (X = S, Se): Theoretical characterization of physical properties for optoelectronic and mechanical applications
- A Pathway for Collisional Planetesimal Growth in the Ice-Dominant Regions of Protoplanetary Disks
- Influence of Se doping in recently synthesized NaInS2-xSex solid solutions for potential thermo-mechanical applications studied via first-principles method
- Newly synthesized MAX phase Zr2SeC: DFT insights into physical properties towards possible applications
- Physical properties of predicted MAX phase borides Hf2AB (A = Pb, Bi): a DFT insight
- Crystal structure informed mesoscale deformation model for HCP Cu6Sn5 intermetallic compound
- DFT insights into new B-containing 212 MAX phases: Hf2AB2 (A = In, Sn)
- Revisiting the epitaxial SiN crystalline cap on AlGaN/GaN via evolutionary structure search
- Original mechanism of transformation from soft metallic (sp2/sp3) C12 to ultra-dense and ultra-hard (sp3) semi-conducting C12: Crystal chemistry and DFT characterizations
- A detailed first-principles study of the structural, elastic, thermomechanical and optoelectronic properties of binary rare-earth tritelluride NdTe3