相关论文: The physics of cement cohesion
We use molecular simulations of an ionic liquid in contact with a range of nanoporous carbons to investigate correlations between ion size, pore size, pore topology and properties of the adsorbed ions. We show that diffusion coefficients…
Adhesion forces between submicrometer-sized silicate grains play a crucial role in the formation of silicate dust agglomerates, rocky planetesimals, and terrestrial planets. The surface energy of silicate dust particles is the key to their…
We study clogging of cohesive particles in a 2D hopper with experiments and simulations. The system consists of buoyant, monodisperse oil droplets in an aqueous solution, where the droplet size, buoyant force, cohesion, and hopper opening…
Life on Earth depends upon the dissolution of ionic salts in water, particularly NaCl. However, an atomistic scale understanding of the process remains elusive. Simulations lend themselves conveniently to studying dissolution since they…
Differentiating structural evolution from structural development or formation opens many avenues of research. The study particularly advances the chemical and physical sciences, material science, energy science, and chemical engineering. By…
Dense suspensions of hard particles in a liquid can exhibit strikingly counter-intuitive behavior, such as discontinuous shear thickening (DST) [1-8] and reversible shear jamming (SJ) into a state with finite yield stress [9-13]. Recent…
Crystal growth and crystal coalescence processes in supercooled systems strongly depend on the concentration of crystallization centers. We perform atomistic dynamics simulations of the crystallization process in the ultrathin metallic film…
Drying induced cracking of concrete surfaces and repair layers is a common problem. A principal cause for this type of cracking is the moisture and resulting contraction gradient that develops in the cement paste matrix upon drying. This…
Colloidal particles or nanoparticles, with equal affinity for two fluids, are known to adsorb irreversibly to the fluid-fluid interface. We present large-scale computer simulations of the demixing of a binary solvent containing such…
Strong correlations in two conjugate variables are the signature of quantum entanglement and have played a key role in the development of modern physics. Entangled photons have become a standard tool in quantum information and foundations.…
Partial substitution of the clinker in the cement by a supplementary cementitious material (SCM) is one of the main solutions to reduce the carbon footprint. Calcined kaolinite is a good candidate due to its availability and relatively high…
Cathodic protection (CP) was introduced two centuries ago and since has found widespread application in protecting structures such as pipelines, offshore installations, and bridges from corrosion. Despite its extensive use, the fundamental…
Plastics have become integral to our society due to their durability and water stability, which is achieved through strong intermolecular interactions. However, these properties also make them persistent disruptors of ecological cycles, in…
Percolation of fine particles (fines) in a static bed of larger particles is central to many industrial and natural processes. Non-cohesive fines either pass through the bed or become trapped depending on multiple factors including particle…
Due to the strong correlations between multivalent counterions condensed on a macroion, the net macroion charge changes sign at some critical counterion concentration. This effect is known as the charge inversion. Near this critical…
We investigate the impact of nanoparticle roughness on the phase behaviour of suspensions in models of calcium carbonate nanoparticles. We use a Derjaguin approach that incorporates roughness effects and interactions between the…
Hydrogen incorporation in native surface oxides of metal alloys often controls the onset of metal hydriding, with implications for materials corrosion and hydrogen storage. A key representative example is titania, which forms as a…
Ceramic based materials covered with a mixture of mullite and zircon on the top, strengthened by the addition of zinc and magnesium compounds at different rates (37 % and 50 %) and made by a co-precipitation method are studied. The…
Large scale molecular dynamics simulations are used to investigate the structural and dynamical modifications of supercooled water when confined inside an hydrophilic nanopore. We then investigate the evolution of the auto-organization of…
Water plays a crucial role in geological, biological, and technological processes. Nanoscale water confinement occurs in many of these settings, including sedimentary rocks, water channel proteins, and applications like desalination and…