Nucleation Events Research Articles

Homogenous nucleation rate of CO2 hydrates using transition interface sampling.

Carbon dioxide and water can form solid clathrate structures in which water cages encapsulate the gas molecules. Such hydrates have sparked much interest due to their possible application in CO2 sequestration. How the solid structure forms exactly from the liquid phase via a homogenous nucleation process is still poorly understood. This nucleation event is rare on the molecular timescale even under moderate undercooling or supersaturation conditions because of the large free energy barrier toward crystallization, rendering a brute force simulation of hydrate nucleation unfeasible for moderate undercooling or supersaturation. Here, we perform transition interface sampling simulations to quantify the homogenous nucleation rate for CO2 hydrate formation using accurate atomistic force fields at 500 bars for three different temperatures between 260 and 273 K. Collecting more than 100 000 pathways comprising roughly two milliseconds of simulation time, we computed a nucleation rate in the amorphous phase of ∼1021 nuclei s-1 cm-3 for a temperature of 260 K and a rate of ∼1012 nuclei s-1 cm-3 for a temperature of 265 K. For a temperature of 273 K, we find that the hydrate forms an sI crystalline phase with a rate of order of ∼101 nuclei s-1 cm-3. We compare these rates to classical nucleation theory estimates as well as experiments, and to nucleation rate estimates for methane hydrates and discuss possible causes of the observed differences. Our findings shed light on the kinetics of this important clathrate and should assist in future hydrate formation investigation.

Microstructural Characterizations and Kinetics Model of Isothermal Bainite Formation with the Presence of Prior Martensite in High‐Carbon Nanostructured Bainitic Steel

Quenching and subsequent isothermal bainite transformation (QBT) and direct isothermal transformation (DIT) procedures are performed to comparatively evaluate the impact of the introduced prior martensite on bainite transformation behaviors and microstructural characterizations in a high‐carbon nanostructured bainitic steel. A thermodynamic model under a QBT process based on displacive theory is also developed to expound the bainite formation kinetics. The results indicate that the modified kinetics model, by considering austenite/martensite interface nucleation, austenite grain boundary nucleation, and autocatalytic nucleation, evolved here can be used to accurately describe the bainite formation behavior in the presence of prior martensite. A certain fraction of prior austenite/martensite interface can serve as the preferential nucleation site for the bainite transformation and assist in an acceleration of transformation rate. The bainite nucleation event initially takes place at prior martensite plate boundary in the QBT process instead of austenite grain boundary in the DIT process and subsequently continues through autocatalytic nucleation at austenite/bainite interface generated at either austenite/martensite interface or austenite/austenite interface. The introduced prior martensite slightly refines bainite sheaves and lessens the blocky retained austenite size, presenting a feasible approach to shorten the required time for producing a nanosized bainitic microstructure.

Scanning Electrochemical Cell Microscope Study of Individual H2 Gas Bubble Nucleation on Platinum: Effect of Surfactants

Adsorption of gas bubbles on the electrode surface is one of important issues responsible for the reduced efficiency of water electrolysis. Understanding the bubble phenomena can benefit the management of gas bubbles. In this study, we carried out a single-entity electrochemical study of individual gas bubbles on the Pt electrode using scanning electrochemical cell microscopy. Different from conventional ensemble methods, the bubble nucleation behaviour and the effect of surfactants (perfluorooctanoic acid (PFOA), hexadecyl trimethyl ammonium bromide (CTAB) and siloxane defoamer) on the electrode surface were investigated at microscale resolution. Statistical analysis of individual nucleation event showed the stochastic characteristic and the addition of surfactant could significantly improve the stability of gas bubbles especially those formed in small nanopipets. A correlation between the critical supersaturation (or Faradic current) for bubble nucleation and surface tension with was observed, which was consistent with classic nucleation theory. However, chronoamperometry study showed that the water electrolysis efficiency after surfactant addition was not significantly improved. This study provided unique insights into understanding of nucleation event at single-entity.

New Particle Formation and Growth to Climate‐Relevant Aerosols at a Background Remote Site in the Western Himalaya

AbstractNew particle formation (NPF) can influence the Earth's radiative budget when the newly formed particles grow to climate‐relevant sizes. Here, we present analysis of 21 months of continuous aerosol size distribution measurements at a background remote site in the western Himalaya and provide observational evidence that newly formed particles grow to cloud condensation nuclei (CCN)‐active sizes (i.e., >20–100 nm in diameter). Out of total 55 NPF events, 38 (66%) events occurred in the pre‐monsoon season (March–May). NPF events were classified into those with and without pollution influence as polluted and cleaner, respectively, using black carbon data. The analysis of air mass age, based on the ratio of number concentration of Aitken to accumulation mode aerosols, indicated that NPF occurred in the relatively cleaner air masses reaching to the site. The median formation rate of 10 nm particles and particle growth rates for cleaner events were three‐fold and two‐fold, respectively, higher than polluted events. We present the first estimates of the survival probability of newly formed particles to 50 and 100 nm size, which was not attempted in an Indian environment previously. The survival probability to 50 nm particles ranged from 44% to 98%, with a mean and standard deviation of 82 ± 18%. On average, ∼60% of the particles surviving to 50 nm survived to 100 nm, making the overall survival probability of 100 nm to 53 ± 31%. This indicates that the probability of nucleated particles growing to CCN‐active sizes under a large source of condensing vapor (transported from nearby lower‐altitude regions) and low pre‐existing particle concentrations (background mountain site) is high compared to the previous studies. These findings highlight the importance of the efficiency of nucleation events for producing CCN, which is a critical basis of aerosol indirect effects.

Past, present, and future of ultrafine particle exposures in North America

There is growing concern that exposure to ultrafine particles (UFP, particles with diameter < 100 nm) may have health effects distinct from exposure to fine particulate matter mass (PM 2.5 ). This investigative review examines spatial and temporal trends in UFP concentrations in North America. We analyze (i) multiyear (2006–2016) datasets from 11 stationary sampling sites and (ii) shorter duration, but highly spatially resolved mobile/stationary sampling data (2017–2019) in three cities (Baltimore, Oakland, and Pittsburgh). UFP concentrations have fallen by an average 30% over the past decade, similar to the reduction of PM 2.5 mass concentration (35%). UFP reductions are likely a co-benefit of PM 2.5 and other pollutant regulations. UFP have a factor of two to three spatial variation both within and between cities. Traffic is a major factor influencing intra-urban spatial variations. New particle formation (nucleation) is also an important source of UFP in many places. Regulations to reduce SO 2 emissions from coal combustion have reduced nucleation events in the Eastern U.S., but some coastal areas with Mediterranean climates still have consistent new particle formation events. Highly spatially resolved UFP exposures in urban areas can be estimated using spatial models such as land use regression (LUR) fit to high spatial resolution data. Data collection for these models often uses mobile monitoring or other short-term sampling strategies because there is not a national-scale monitoring network for UFP. Short-term sampling produces LURs with modest (R 2 < 0.5) performance; model performance can be improved with additional sampling. The current ability to estimate exposure at high spatial resolution over larger (e.g., national) scales is limited by a lack of data. We discuss strategies to improve UFP quantification and therefore exposure estimates. • Ultrafine particle (UFP) concentrations fell by ~30% from 2006 to 2016. • Vehicle traffic is a major source of UFP, especially in urban areas. • Predicting UFP exposures at large scale is hampered by a lack of data.

Kinetic analysis reveals that independent nucleation events determine the progression of polyglutamine aggregation in C. elegans

Protein aggregation is associated with a wide range of degenerative human diseases with devastating consequences, as exemplified by Alzheimer's, Parkinson's, and Huntington's diseases. In vitro kinetic studies have provided a mechanistic understanding of the aggregation process at the molecular level. However, it has so far remained largely unclear to what extent the biophysical principles of amyloid formation learned in vitro translate to the complex environment of living organisms. Here, we take advantage of the unique properties of a Caenorhabditis elegans model expressing a fluorescently tagged polyglutamine (polyQ) protein, which aggregates into discrete micrometer-sized inclusions that can be directly visualized in real time. We provide a quantitative analysis of protein aggregation in this system and show that the data are described by a molecular model where stochastic nucleation occurs independently in each cell, followed by rapid aggregate growth. Global fitting of the image-based aggregation kinetics reveals a nucleation rate corresponding to 0.01 h-1 per cell at 1 mM intracellular protein concentration, and shows that the intrinsic molecular stochasticity of nucleation accounts for a significant fraction of the observed animal-to-animal variation. Our results highlight how independent, stochastic nucleation events in individual cells control the overall progression of polyQ aggregation in a living animal. The key finding that the biophysical principles associated with protein aggregation in small volumes remain the governing factors, even in the complex environment of a living organism, will be critical for the interpretation of in vivo data from a wide range of protein aggregation diseases.

The effect of surface wettability on flow boiling characteristics within microchannels

The process of flow boiling within micro-passages plays a very important role in many industrial applications. However, there is still a lack of understanding of the effect of an important controlling parameter: surface wettability. In this paper, an advanced numerical investigation on the effect of wettability characteristics on single and multiple bubble growth during saturated flow boiling conditions within a microchannel is performed. The 3D numerical simulations are conducted with the open-source Computational Fluid Dynamics (CFD) toolbox OpenFOAM, utilising a custom user-enhanced Volume Of Fluid (VOF) solver. The proposed solver enhancements involve an appropriate treatment for spurious velocities dampening, an improved dynamic contact angle treatment, as well as the implementation of a phase-change model in the fluid domain also accounting for Conjugate Heat Transfer (CHT) with the solid domain. In total, three sets of simulations of hydrophilic and hydrophobic surfaces with constant heat and mass flux were performed. In the first set, a single bubble seed was patched close to the inlet of the microchannel and the Heat Transfer Coefficient (HTC) along the channel interface was measured until the nose of the bubble reaches the outlet. The bubble growth and transport process within the channel were analysed, with a minor effect of the wettability characteristics on the HTC observed. In the second set of simulations, multiple recurring nucleation events at the same position were simulated; observing that in such more realistic cases the effect of wettability in the HTC was more profound. Finally, simulations with multiple nucleation sites and recurring nucleation events were conducted to analyse cases closer to reality. These results show indeed that surface wettability plays a significant role on the HTC, with the hydrophilic and hydrophobic cases performing approximately 43.9% and 17.8% higher respectively, compared to the single-phase reference simulations. Additionally, it is found that the dominant heat transfer mechanisms for the hydrophilic and hydrophobic surface are liquid film evaporation and contact line evaporation, respectively, and that for the proposed simulation parameters liquid film evaporation can be considered as a more efficient heat transfer mechanism compared to contact line evaporation.

The effect of meteorological conditions and atmospheric composition in the occurrence and development of new particle formation (NPF) events in Europe

Abstract. Although new particle formation (NPF) events have been studied extensively for some decades, the mechanisms that drive their occurrence and development are yet to be fully elucidated. Laboratory studies have done much to elucidate the molecular processes involved in nucleation, but this knowledge has yet to be conclusively linked to NPF events in the atmosphere. There is great difficulty in successful application of the results from laboratory studies to real atmospheric conditions due to the diversity of atmospheric conditions and observations found, as NPF events occur almost everywhere in the world without always following a clearly defined trend of frequency, seasonality, atmospheric conditions, or event development. The present study seeks common features in nucleation events by applying a binned linear regression over an extensive dataset from 16 sites of various types (combined dataset of 85 years from rural and urban backgrounds as well as roadside sites) in Europe. At most sites, a clear positive relation with the frequency of NPF events is found between the solar radiation intensity (up to R2=0.98), temperature (up to R2=0.98), and atmospheric pressure (up to R2=0.97), while relative humidity (RH) presents a negative relation (up to R2=0.95) with NPF event frequency, though exceptions were found among the sites for all the variables studied. Wind speed presents a less consistent relationship, which appears to be heavily affected by local conditions. While some meteorological variables (such as the solar radiation intensity and RH) appear to have a crucial effect on the occurrence and characteristics of NPF events, especially at rural sites, it appears that their role becomes less marked at higher average values. The analysis of chemical composition data presents interesting results. Concentrations of almost all chemical compounds studied (apart from O3) and the condensation sink (CS) have a negative relationship with NPF event frequency, though areas with higher average concentrations of SO2 had higher NPF event frequency. Particulate organic carbon (OC), volatile organic compounds (VOCs), and particulate-phase sulfate consistently had a positive relation with the growth rate of the newly formed particles. As with some meteorological variables, it appears that at increased concentrations of pollutants or the CS, their influence upon NPF frequency is reduced.

Precise measurement of activation parameters for individual dislocation nucleation during in situ TEM tensile testing of single crystal nickel

Nucleation of crystalline defects such as dislocations lies at the heart of mechanical deformation. Here, we demonstrate a technique for observing the nucleation of individual dislocations during in situ transmission electron microscopy (TEM) tensile testing and measuring fundamental parameters relevant for plasticity from the individual events. Our method relies on systematic detection of dislocation slip traces with automated image analysis in an oriented single crystal Ni sample. Using the identification of individual defect traces from in situ testing, a cumulative probabilistic function is applied to correlate the relationship between a dislocation nucleation event and the corresponding stress level. Our analysis allows for the extrapolation of the activation parameters for individual dislocation nucleation events using the data on one sample in one tensile test. Precise and quantitative correlation of activation parameters for dislocation nucleation from in situ TEM nanomechanical testing can provide direct quantitative measurements useful for computational models of plasticity.

Design of Metal@Titanium Oxide Nano-heterodimers by Laser-Driven Photodeposition: Growth Mechanism and Modeling.

In order to circumvent the usual nucleation of randomly distributed tiny metallic dots photodeposited on TiO2 nanoparticles (NPs) induced by conventional UV lamps, we propose to synthesize well-controlled nanoheterodimers (NHDs) using lasers focused inside microfluidic reactors to strongly photoactivate redox reactions of active ions flowing along with nanoparticles in water solution. Since the flux of photons issued from a focused laser may be orders of magnitude higher than that reachable with classical lamps, the production of electron-hole pairs is tremendously increased, ensuring a large availability of carriers for the deposition and favoring the growth of a single metallic dot as compared to secondary nucleation events. We show that the growth of single silver or gold nanodots can be controlled by varying the beam intensity, the concentration of the metallic salt, and the flow velocity inside the microreactor. The confrontation to a build-in model of the metallic nanodot light-induced growth onto the surface of TiO2 NPs shows the emergence of a predictable "master behavior" on which individual growths obtained from various tested conditions do collapse. We also characterized the associated quantum yield. Eventually, we successfully confronted our model to growth data from the literature in the case of silver on TiO2 and gold on II-VI semiconducting NPs triggered by UV lamps. It shows that for the photosynthesis of NHDs the efficiency of the electron-hole pair production rate matters much more than the number of pairs produced and that the use of laser light can provide a photodeposition-based synthesis at the nanoscale.

Acoustothermal Nucleation of Surface Nanobubbles.

Ultrasonic surface vibration at high frequencies ((100 GHz)) can nucleate bubbles in a liquid within a few nanometres from a surface, but the underlying mechanism and the role of surface wettability remain poorly understood. Here, we employ molecular simulations to study and characterize this phenomenon, which we call acoustothermal nucleation. We observe that nanobubbles can nucleate on both hydrophilic and hydrophobic surfaces, and molecular energy balances are used to identify whether these are boiling or cavitation events. We rationalize the nucleation events by defining a physics-based energy balance, which matches our simulation results. To characterize the interplay between the acoustic parameters, surface wettability, and nucleation mechanism, we produce a regime map of nanoscopic nucleation events that connects observed nanoscale results to macroscopic experiments. This work provides insights to better design a range of industrial processes and clinical procedures such as surface treatments, mass spectroscopy, and selective cell destruction.

Textural and chemical features of a “soft” plug emitted during Strombolian explosions: A case study from Stromboli volcano

Between May 2009 and March 2010, six small scale paroxysms were recorded at Stromboli volcano (Aeolian Islands, Italy). The small scale paroxysm of 21 January 2010 was the only one characterized by a SSE to SW dispersal direction, which allowed access for sampling of the associated bomb-dominated deposit. The quenched marginal portions of twelve bombs were used to perform density, textural and chemical analyses to define the mechanisms operating in the shallow conduit during the explosion. Whole-rock density values span a range of 1100 to 2300 kg/m3 which, using a dense rock equivalent density of 2850 kg/m3, converts to a vesicularity of 20 to 61%. The vesicle volume distribution (VVD) is unimodal, with a mode at 1.8 mm, consistent with a single bubble nucleation event followed by growth, coalescence expansion and/or densification. Crystallinity ranges from 30 to 62 vol%. Vesicle and crystal contents, however, show considerable variation, consistent with the presence of an extremely dense and degassed component in the fragmented magma. Both groundmass glasses and melt inclusions are chemically homogenous, with CaO/Al2O3 in the range 0.40-0.60. Melt inclusion volatile contents (H2O up to 0.47 wt%) are consistent with fragmentation of a shallow magma residing at a depth of about 480 m. We suggest that dense, degassed and crystal-rich magma formed a “soft” rheological plug at the top of the conduit. Under such a condition, bubbles can accumulate under the plug to slowly build the pressure to a threshold point, after which the pressure is enough to cause the fragmentation of the plug.

Insights into the chemistry of aerosol growth in Beijing: Implication of fine particle episode formation during wintertime

Nucleation particle growth plays a major role in the occurrence of fine particles, yet the mechanism of new particle formation (NPF) remains ambiguous in the complex atmosphere of megacities and hinders the development of measures to mitigate PM2.5 pollution. In this study, the chemistry of ultrafine particles during the growth phase of nucleation events was investigated in urban Beijing from Nov. 15, 2018 to Jan. 15, 2019, using two scanning mobility particle spectrometers (SMPS) systems and an Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS). During this intense campaign, 11 NPF events were observed and the growth rate (GR) of nanoparticles ranged from 12.5 to 24.5 nm h−1. Four periodic cycles of PM2.5 episodes that included aerosol particle growth to particulate matter pollution were identified. Based on the QGR – QAMS theoretical frame that exploring the balance between the source rate of condensable vapors and the observed growth rate of nanoparticles, we clearly showed the physical and chemical evolution of nano-particle during the growth processes to ambient-atmosphere sizes (>100 nm). Generally, the modal diameter of aerosol particles grew by more than 100 nm (7 out of 11 NPF events) when the nitrate concentration and less-oxidized oxygenated organic aerosol (LO-OOA) were high; however, another class of aerosol particle growth was limited to 50–100 nm (3 out of 11 NPF events) when sulfate was high. Note that the remaining one NPF event could not be identified if it can grow up to 100 nm or not due to the unavailable of observation data during the late growth stage. By linking the aerosol growth with chemical compositions, sulfate and organics were found to be the main contributors during the initial stage of the aerosol growth, while cooking-related OA (COA) enhanced the transition stage, and nitrate and more-oxidized OOA (MO-OOA) dominated the subsequent growth of aerosol to ambient-atmosphere sizes. An important portion of aerosol growth in PM2.5 was controlled by semi-volatile organic vapors, which can partition into the externally condensed phase of the accumulation mode and coarse mode via the physical process of adsorption. Through quantifying the physical and chemical properties of aerosol particle growth, the detail processes of nucleation initiated PM2.5 pollution episodes were evaluated and provided observational evidence on the formation mechanism of winter haze pollution in the megacity of Beijing.

{101̄2} twinning in single-crystal titanium under shock loading

ABSTRACT We employ molecular dynamics simulations to investigate the evolution dynamics of twinning in single-crystal Ti under shock loading. The shock compression applied perpendicular to the c-axis leads to the activation of twins in single-crystal Ti. We find the twin variant activation for each case of the applied loading conditions follows Schmid criterion. However, the time for the activation of twin variants is not the same even with equal Schmid factor. The evolution and dominance of twin variants in each case of the applied loading conditions do not depend on the Schmid factor. High nucleation events and low overall twin volume fraction occur for the case where two conjugate pairs of twin variants activate while low nucleation events and high overall twin volume fraction occur for the case where only one conjugate pair of twin variants activate. Twin nucleation takes place throughout the simulation time for each case of the applied loading conditions. High twin growth occurs for the case where only one conjugate pair of twin variants activate in comparison to the case where two conjugate pairs of twin variants activate. This indicates that the number of activated twin variants affects the growth rate of the twins.

Evaluation of wave-like nucleation events in Al-4%Si alloys with addition of TiB&lt;sub&gt;2&lt;/sub&gt; particles by time-resolved and in-situ observation

Evaluation of wave-like nucleation events in Al-4%Si alloys with addition of TiB&lt;sub&gt;2&lt;/sub&gt; particles by time-resolved and in-situ observation

Self-assembly of superstructures at all scales

Summary Controllable assembly of molecular and nanoscale building blocks into uniform superstructures up to bulk dimensions remains a key challenge in the next phase of nanotechnology development. Here, we report the self-assembly of superstructures at all scales by taking advantage of the partial miscibility of water and 1-butanol to generate transient aqueous emulsion droplets that can encapsulate the target materials and introduce them into template holes. Further diffusion of water into 1-butanol depletes the emulsion droplets, assembling the building blocks into one well-defined superstructure in each hole. Superstructuring of various types and shapes of nanoparticles, biomolecules, and inorganic compounds could be achieved without the need for surfactants and chemical modifications. The versatility, scalability, low-cost, and accurate positioning are crucial advantages for the future development of advanced precision manufacturing.

Ice nucleation in high alternating electric fields: Effect of electric field strength and frequency.

Icing is a severe problem for many technical systems such as aircraft or systems for high-voltage power transmission and distribution. Ice nucleation in water droplets is affected by several influencing factors like impurities or the liquid temperature, which have been widely investigated. However, although an electric field affects nucleation, this influence has been far less investigated and is still not completely understood. The present work is focused on the influence of high alternating electric fields on ice nucleation in sessile water droplets, which is examined for a systematic variation of the electric field frequency and strength. All experiments used to determine the influence of a single parameter like the electric field strength or frequency are performed with the same set of droplets to ensure well-defined conditions and a high repeatability of the procedure. For each parameter variation a large number of nucleation events is observed and analyzed. Droplet survival curves and the nucleation site density are used to analyze the experiments and to determine the influence of the electric field on ice nucleation. Especially for high electric field strengths, a significant influence on nucleation is observed. Some droplets freeze earlier, which leads to a higher median nucleation temperature. On the other hand, the lowest temperature required to freeze all droplets is almost constant compared to the reference case without an electric field. It is shown that not all droplets are affected by the electric field in the same way, but the influence of the electric field on ice nucleation is rather of singular nature. In addition, the frequency of the applied electric field has an impact on the nucleation behavior. The present experimental data quantitatively demonstrate the effect of an electric field on ice nucleation and improves our understanding of heterogeneous nucleation of supercooled water subjected to high alternating electric fields.

Dislocation nucleation in the phase-field crystal model

We use the phase field crystal model to study nucleation of edge dislocations in two dimensions under an applied stress field. A dislocation dipole nucleates under the applied stress, consistent with Burgers vector conservation. The phase field correctly accounts for elastic energy storage prior to nucleation, and for dissipative relaxation during the nucleation event. We show that a lattice incompatibility field is a sensitive diagnostic of the location of the nucleation event, and of the Burgers vector and slip direction of the dislocations that will be nucleated above threshold. A direct calculation of the phase field energy accurately correlates with the nucleation event, as signaled by the lattice incompatibility field. We show that a Schmid-like criterion concerning the resolved stress at the nucleation site correctly predicts the critical nucleation stress. Finally, we present preliminary results for a three-dimensional, body-centered cubic lattice. The phase field allows a direct computation of the lattice incompatibility tensor for both dislocation lines and loops.

Quasi-stationary distribution and metastability for the stochastic Becker-Döring model

We study a stochastic version of the classical Becker-Döring model, a well-known kinetic model for cluster formation that predicts the existence of a long-lived metastable state before a thermodynamically unfavorable nucleation occurs, leading to a phase transition phenomena. This continuous-time Markov chain model has received little attention, compared to its deterministic differential equations counterpart. We show that the stochastic formulation leads to a precise and quantitative description of stochastic nucleation events thanks to an exponentially ergodic quasi-stationary distribution for the process conditionally on nucleation has not yet occurred.

Theory of&amp;nbsp;History-Dependent Multi-Layer Generalized Stacking Fault Energy:&amp;nbsp;A&amp;nbsp;Modeling&amp;nbsp;of&amp;nbsp;the Micro-Substructure Evolution Kinetics&amp;nbsp;in&amp;nbsp;Chemically Ordered Medium-Entropy Alloys

In this study, a chemical order related concept “history-dependent multi-layer generalized stacking fault energy” (HDML-GSFE) was proposed, and it was then demonstrated by employing the recent, very interesting multi-principal element alloy (CoCrNi medium-entropy alloys; MEA) with different chemical short-range order (CSRO) levels using a density functional theory (DFT)-based neural network interatomic potential. To demonstrate the impacts of the history dependency and interlayer (atomic interlayers of the slip system) coupling effect on the GSFE of CSRO MEAs, HDML-GSFEs were computed for different shear deformation pathways of the MEAs with different CSRO levels, such as interlayer multiple-time slipping, twin growth, and γ - e (FCC- HCP) phase transformation. It was demonstrated that multiple-time slipping induces CSRO collapse, leading to local shear softening due to the history dependency of GSFE. In addition, it was found that the slipping of neighboring atomic interlayers is affected by the slipping resulting from the induced CSRO collapse of present interlayers because of the interlayer coupling effect of GSFE. Eventually, by employing a novel kinetic Monte Carlo (kMC) simulation method based on dislocation/disconnection loop nucleation events and using the HDML-GSFE with the history dependency and interlayer coupling effect, we proposed a laminated micro-substructure evolution that involves twinning and γ - e phase transformations subject to a finite shear strain rate and finite temperature.