A5045490299- Bone Tissue Engineering Materials
- Collagen: Extraction and Characterization
- Bone health and osteoporosis research
- Silk-based biomaterials and applications
- Grouting, Rheology, and Soil Mechanics
- Soil and Unsaturated Flow
- Calcium Carbonate Crystallization and Inhibition
- Clay minerals and soil interactions
- Dental Implant Techniques and Outcomes
- Facial Trauma and Fracture Management
- Elasticity and Material Modeling
- Advanced biosensing and bioanalysis techniques
- High-pressure geophysics and materials
- Geological and Geochemical Analysis
- Paleontology and Stratigraphy of Fossils
- Engineering Technology and Methodologies
- DNA and Nucleic Acid Chemistry
- Polymer crystallization and properties
- RNA and protein synthesis mechanisms
- Polymer Nanocomposites and Properties
- Tribology and Wear Analysis
- NMR spectroscopy and applications
North Dakota State University
2005-2015
This paper describes a multiscale approach used to model polymer clay nanocomposites (PCNs) based on new altered phase concept. Constant-force steered molecular dynamics (SMD) is evaluate nanomechanical properties of the constituents intercalated units in PCNs, which were finite element model. Atomic force microscopy and nanoindentation techniques provided additional input method (FEM) FEM construct representative PCN that simulates composite response surrounding matrix. From our simulations...
In this work, the swelling behavior of sodium (Na)-montmorillonite clay with increasing amounts hydration is studied using molecular dynamics. The models dry and hydrated clays, consisting 2, 4, 6, 8, 10 monolayers water in interlayer, are used study. This work captures evolution interaction energies interlayer Na-montmorillonite provides insight into mechanisms. shows important role bound clay-Na interactions during to stabilize structure hydration. Changes molecule conformations also...
Collagen is a fibrous protein that responsible for structural integrity of various connective tissues such as bone, tendon, and skin. The mechanical properties these hierarchical tissue structures are greatly influenced by presence long slender (~300 ~1.5 nm in diameter) collagen molecules impart strength elasticity. current molecular dynamics studies limited to the use short approximately 8.5 length. This study investigates behavior full-length molecule using steered dynamics. simulations...
The structure of collagen, the most abundant protein in mammals, consists a triple helix composed three helical polypeptide chains. deformation behavior collagen is governed by molecular mechanisms that involve interaction between different hierarchies found collagen. Here, we report results Steered Molecular Dynamics study full-length molecule (~290 nm). extended at various pulling rates ranging from 0.00003/ps to 0.012/ps. These simulations reveal new level hierarchy exhibited collagen:...
In this paper, the development of a multiscale model collagen fibril is described using hierarchical approach by combining molecular dynamics simulations and FEM. Steered was used to investigate mechanical response under various conditions that mimic organization molecules mineral inside fibril. The steered showed elastic properties are significantly higher in proximity mineral. interfaces at scale were carried over continuum (measuring approximately 1 μm length 50 nm diameter) constructed...