A force field for mackinawite surface simulations in an aqueous environment
نویسندگان
چکیده
منابع مشابه
A force field for mackinawite surface simulations in an aqueous environment
attracted considerable experimental [4, 5] and theoretical attention [6–10]. Like pyrite [11], mackinawite (FeS) is an exceptional scavenger for heavy metals in water [12, 13], while the similarity between its structural unit [14] and reactive biological clusters [15] has suggested that FeS structures could have catalysed the formation of the first prebiotic molecules in deep sea hydrothermal v...
متن کاملObstacle avoidance for an autonomous vehicle using force field method
This paper presents a force field concept for guiding a vehicle at a high speed maneuver. This method is similar to potential field method. In this paper, motion constrains like vehicles velocity, distance to obstacle and tire conditions and such lane change conditions as zero slop condition and zero lateral acceleration are discussed. After that, possible equations as vehicles path ar...
متن کامل4D geomechanical simulations for field development planning
3D and 4D geomechanical can be time-consuming to build and calibrate. However, once such a model is built, it is relative straightforward to use this model for various field development and management applications. In so doing, the return on the initial investment of time and effort in the creation of a 4D geomechanical model can be substantial. I present a case study where a 4D geomechanical m...
متن کاملForce field bias in protein folding simulations.
Long timescale (>1 micros) molecular dynamics simulations of protein folding offer a powerful tool for understanding the atomic-scale interactions that determine a protein's folding pathway and stabilize its native state. Unfortunately, when the simulated protein fails to fold, it is often unclear whether the failure is due to a deficiency in the underlying force fields or simply a lack of suff...
متن کاملElectrostatic force microscope for probing surface charges in aqueous solutions.
A scanning force microscope was converted to an electrostatic force microscope by charging the usually neutral cantilever with phospholipids. The electrostatic force microscope was used to study surface electrostatic charges of samples in aqueous solutions. Lysozymes, DEAE-Sephadex beads, 3-propyltriethoxysilane-treated glass and mica were imaged in water or phosphate buffer with electrostatic ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Theoretical Chemistry Accounts
سال: 2016
ISSN: 1432-881X,1432-2234
DOI: 10.1007/s00214-015-1782-8