相关论文: Development of biochar molecular models with contr…
Fluids confined in nanopores are ubiquitous in nature and technology. In recent years, the interest in confined fluids has grown, driven by research on unconventional hydrocarbon resources -- shale gas and shale oil, much of which are…
Nanoporous carbon has been extensively used in a wide range of applications ranging from water treatment to electrochemical applications, such as in energy storage devices. An effort to relate structural to thermodynamical properties has…
The general topic of energy is regarded to be one of the most important areas for any research and development activities at the start of the twentyfirst century. Therefore, large research efforts are already based on or will be targeted on…
The biogeochemical complexity of environmental models is increasing continuously and model reliability must be reanalysed when new implementations are brought about. This work aim to identify influential biogeochemical parameters that…
This paper presents the principal challenges and opportunities associated with computational biomechanics research. The underlying cognitive control involved in the process of human motion is inherently complex, dynamic, multidimensional,…
Developing new molecular compounds is crucial to address pressing challenges, from health to environmental sustainability. However, exploring the molecular space to discover new molecules is difficult due to the vastness of the space. Here…
The transition to a sustainable, low-carbon energy future requires transformative advancements in energy and environmental technologies. Carbon capture and sequestration, underground hydrogen storage, and nuclear waste geological disposal…
Composition is a powerful principle for systems biology, focused on the interfaces, interconnections, and orchestration of distributed processes to enable integrative multiscale simulations. Whereas traditional models focus on the structure…
The vibrational properties of a face-centered cubic granular crystal of monodisperse particles are predicted using a discrete model as well as two micropolar models, first the classical Cosserat and second an enhanced Cosserat-type model,…
A dual-continuum model can offer a practical approach to understanding first-order behaviours of poromechanically coupled multiscale systems. To close the governing equations, constitutive equations with models to calculate effective…
Routinely navigating through an ever-changing and unsteady environment, and utilizing chemical energy, molecular motors transport the cell's crucial components, such as neurotransmitters and organelles. They generate force and pull cargo,…
The last two decades, in particular, have witnessed a large volume of research revolving around structure-property correlation in Carbon based nanocomposites, synthesized by several methods.In the simplest of terms, the electronic…
Bioprinting is an enabling biofabrication technique to create heterogeneous tissue constructs according to patient-specific geometries and compositions. Optimization of bioinks as per requirements for specific tissue applications is a…
This paper presents a model and numerical analysis (simulations) of transmembrane potential induced in biological cell membrane under the influence of externally applied electric field (i.e., electroporation). This model differs from the…
As we passed the 20th anniversary of the publication of the 12 principles of green chemistry, the sustainable modification of cellulose, being the most abundant biobased polymer, is certainly worth considering. Many researchers work on an…
The molecular machinery of life is largely created via self-organisation of individual molecules into functional assemblies. Minimal coarse-grained models, where a whole macromolecule is represented by a small number of particles, can be of…
A model for the aerobic and anaerobic growth of Escherichia coli (HB101 K12 pGLO) depending on the concentration of oxygen and DOC as substrate has been developed based on laboratory batch experiments. Using inverse modelling to obtain…
In order to describe two-dimensionally packed cells in epithelial tissues both mathematically and physically, there have been developed several sorts of geometrical models, such as the vertex model, the finite element model, the…
We introduce various models for cellulose bio-degradation by micro-organisms. Those models rely on complex chemical mechanisms, involve the structure of the cellulose chains and are allowed to depend on the phenotypical traits of the…
Advances in material science, bio-electronic, and implantable medicine combined with recent requests for eco-friendly materials and technologies inevitably formulate new challenges for nano- and micro-patterning techniques. Overall, the…