Abstract: Most techniques to estimate the service life of coatings are experimental in nature, cost expensive and are computationally heavy. Present disclosure provides systems and methods that predict the combined effects of crack path propagation and zones of delamination, that form on coating material and its surface due to weathering. The system of the present disclosure implemented a combined Finite Element Method (FEM) and Monte Carlo based simulation approach to capture the effects of delamination and crack propagation, respectively. The crack paths are predicted using a probabilistic model, considering crack propagation, branching, and keeping a record of crack age. Stress distribution computations are performed using FEM to understand stress concentration zones and delamination behavior with time, which is methodically also combined with the time sequence of cracking as well.

Abstract: There is a demand for low-cost robust method to detect corrosion for estimating corrosion inhibitor (CI) concentration sensing. This disclosure herein relates to method and system for estimating corrosion inhibitor (CI) concentration using a multi-electrode array sensor. The method initially obtains a plurality of electrochemical signals using the multi-electrode array sensor from the corroding environment. Further, the plurality of electrochemical signals are analyzed to obtain a plurality of parameters. Further, the method analyses a plurality of features from the plurality of parameters for estimating the corrosion inhibitor (CI) concentration using a trained machine learning model. The method is capable of estimating the corrosion inhibitor concentration of any unknown liquid using the regression model and the classification model.

Abstract: Metallic alloy development has been traditionally based on experimental or theoretical equilibrium phase diagrams and the like. The synthesis, processing and mechanical testing of small and large real samples are a challenging task requiring huge amount of effort in terms of time, money, resource, tedious testing and processing equipment and man-hour for which conventional Calphad calculations etc. alone do not help much in their local structure and related property prediction. Embodiments of the present disclosure provide simulation systems and methods for structure evolution and property prediction Molecular Dynamics (MD) combined with accelerated Monte Carlo techniques, wherein information on atomic elements and composition specific to alloy material is obtained to generate a MD potential file that is further used to generate a 3D structure file by executing a structure equilibration technique.

Abstract: Traditionally, new alloy development and processing involved various high-end expansive experiments, huge development time and cost of required man-hours. One of the major issues, which limits the ability for materials scientists to design metallic materials from atoms using Molecular Dynamics (MD), is the lack of accurate interatomic molecular dynamics potentials (MDPs). Suitable MDPs of desired alloy systems enable new alloy compositions and related properties, but however, this is very difficult and time-consuming process. The present disclosure enables developing molecular dynamics potential for new/traditional metallic alloys for their simulated structural, thermodynamic, and mechanical property predictions. Present disclosure provides systems and methods for generating MDP for multi-element alloy systems wherein both Body Centered Cubic (BCC) element type and/or a Face Centered Cubic (FCC) element type are combined.

Abstract: Engineered structures include materials in certain arrangement and proportions to make a composite that provides desired properties to a structure. The mechanical and physical properties of the materials are measured through expensive and time consuming mechanical testing, and structural design is carried out using these properties thus warranting more time and cost spent on physical testing. Embodiments of the present disclosure provide multi-scale modeling and simulation techniques (MSMST) for design of composite materials with desired macro-scale properties wherein the (lower) MSMST are interconnected and each can pass on corresponding desired outputs to higher length-scales, which in turn evaluate macro-scale physical and mechanical properties/either to scale up the structure simulation, or to fine tune computational materials parameters thereby predicting behaviour of the structure based on determined properties of composite materials of the structure.

Abstract: There is a demand for low-cost robust method to detect corrosion for estimating corrosion inhibitor (CI) concentration sensing. This disclosure herein relates to method and system for estimating corrosion inhibitor (CI) concentration using a multi-electrode array sensor. The method initially obtains a plurality of electrochemical signals using the multi-electrode array sensor from the corroding environment. Further, the plurality of electrochemical signals are analyzed to obtain a plurality of parameters. Further, the method analyses a plurality of features from the plurality of parameters for estimating the corrosion inhibitor (CI) concentration using a trained machine learning model. The method is capable of estimating the corrosion inhibitor concentration of any unknown liquid using the regression model and the classification model.

Abstract: Metallic alloy development has been traditionally based on experimental or theoretical equilibrium phase diagrams and the like. The synthesis, processing and mechanical testing of small and large real samples are a challenging task requiring huge amount of effort in terms of time, money, resource, tedious testing and processing equipment and man-hour for which conventional Calphad calculations etc. alone do not help much in their local structure and related property prediction. Embodiments of the present disclosure provide simulation systems and methods for structure evolution and property prediction Molecular Dynamics (MD) combined with accelerated Monte Carlo techniques, wherein information on atomic elements and composition specific to alloy material is obtained to generate a MD potential file that is further used to generate a 3D structure file by executing a structure equilibration technique.

Abstract: Engineered structures include materials in certain arrangement and proportions to make a composite that provides desired properties to a structure. The mechanical and physical properties of the materials are measured through expensive and time consuming mechanical testing, and structural design is carried out using these properties thus warranting more time and cost spent on physical testing. Embodiments of the present disclosure provide multi-scale modeling and simulation techniques (MSMST) for design of composite materials with desired macro-scale properties wherein the (lower) MSMST are interconnected and each can pass on corresponding desired outputs to higher length-scales, which in turn evaluate macro-scale physical and mechanical properties/either to scale up the structure simulation, or to fine tune computational materials parameters thereby predicting behaviour of the structure based on determined properties of composite materials of the structure.