Mauricio R. Bonilla
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View article: Strengths and Pitfalls of classical interatomic potentials for the modelling of hydrogen embrittlement in BCC-Fe: A benchmarking analysis
Strengths and Pitfalls of classical interatomic potentials for the modelling of hydrogen embrittlement in BCC-Fe: A benchmarking analysis Open
View article: Unsupervised Density-Based Method for Analyzing Ion Mobility in Crystalline Solid-State Electrolytes
Unsupervised Density-Based Method for Analyzing Ion Mobility in Crystalline Solid-State Electrolytes Open
Understanding the connection between chemistry, structure, and ion migration in solid-state electrolytes (SSEs) is vital to enable safer, more efficient all-solid-state batteries and other advanced electrochemical devices. Atomistic simula…
View article: Spatial distributions of local strains in synthesized diamond crystals from the normalized parameters of Kikuchi patterns
Spatial distributions of local strains in synthesized diamond crystals from the normalized parameters of Kikuchi patterns Open
This paper presents an improved approach to the calculation and analysis of spatial distributions of local strains in synthesized diamond crystals obtained from the normalized parameters of Kikuchi patterns. This approach consists in the s…
View article: The crystal chemistry and reactivity of ternary Na2Fe3Cl8 from the NaCl-FeCl2 system and its potential application as coating layer for cathode in sodium ion batteries
The crystal chemistry and reactivity of ternary Na2Fe3Cl8 from the NaCl-FeCl2 system and its potential application as coating layer for cathode in sodium ion batteries Open
View article: On the interfacial lithium dynamics in Li7La3Zr2O12:poly(ethylene oxide) (LiTFSI) composite polymer-ceramic solid electrolytes under strong polymer phase confinement
On the interfacial lithium dynamics in Li7La3Zr2O12:poly(ethylene oxide) (LiTFSI) composite polymer-ceramic solid electrolytes under strong polymer phase confinement Open
View article: Impact of Glucose on the Nanostructure and Mechanical Properties of Calcium-Alginate Hydrogels
Impact of Glucose on the Nanostructure and Mechanical Properties of Calcium-Alginate Hydrogels Open
Alginate is a polysaccharide obtained from brown seaweed that is widely used in food, pharmaceutical, and biotechnological applications due to its versatility as a viscosifier and gelling agent. Here, we investigated the influence of the a…
View article: Multiscale Modelling and Simulation of Advanced Battery Materials
Multiscale Modelling and Simulation of Advanced Battery Materials Open
View article: Exploring Li-Ion Conductivity in Cubic, Tetragonal and Mixed-Phase Al-Substituted Li <sub>7</sub>La <sub>3</sub>Zr2O <sub>12</sub> Using Atomistic Simulations and Effective Medium Theory
Exploring Li-Ion Conductivity in Cubic, Tetragonal and Mixed-Phase Al-Substituted Li <sub>7</sub>La <sub>3</sub>Zr2O <sub>12</sub> Using Atomistic Simulations and Effective Medium Theory Open
View article: Probing adhesion between nanoscale cellulose fibres using AFM lateral force spectroscopy: The effect of hemicelluloses on hydrogen bonding
Probing adhesion between nanoscale cellulose fibres using AFM lateral force spectroscopy: The effect of hemicelluloses on hydrogen bonding Open
View article: Mucin gel assembly is controlled by a collective action of non-mucin proteins, disulfide bridges, Ca2+-mediated links, and hydrogen bonding
Mucin gel assembly is controlled by a collective action of non-mucin proteins, disulfide bridges, Ca2+-mediated links, and hydrogen bonding Open
View article: Modelling of Thermal Sterilisation of High-Moisture Snack Foods: Feasibility Analysis and Optimization
Modelling of Thermal Sterilisation of High-Moisture Snack Foods: Feasibility Analysis and Optimization Open
View article: Mapping nano-scale mechanical heterogeneity of primary plant cell walls
Mapping nano-scale mechanical heterogeneity of primary plant cell walls Open
Nanoindentation experiments are performed using an atomic force microscope (AFM) to quantify the spatial distribution of mechanical properties of plant cell walls at nanometre length scales. At any specific location on the cell wall, a com…