Inhomogeneous Model Research Articles

Reexamination for linear and nonlinear free vibration of porous sandwich cylindrical shells reinforced by graphene platelets

This paper reexamines the linear and nonlinear free vibration responses of porous sandwich cylindrical shells with graphene platelet (GPL) reinforcements surrounded by an elastic medium under temperature conditions. The graphene platelets reinforced composite (GPLRC) core is assumed to be multilayers, and each layer may have different values of porosity coefficient to achieve a piece-wise functionally graded pattern. By introducing an inhomogeneous model instead of the equivalent isotropic model (EIM), the Young’s moduli along with the shear modulus of porous GPLRC core are predicted through a generic Halpin–Tsai model in which the porosity is included. Thermo-mechanical properties of porous GPLRC core and metal face sheets are assumed to be temperature dependent. Motion equations of porous sandwich cylindrical shells reinforced by GPLs are formulated based on the Reddy’s third order shear deformation theory. In the modeling, von Kármán nonlinear strain-displacement relationships, shell-foundation interaction and thermal effect are also taken into account. The analytical solution for the nonlinear vibration problem is obtained by applying a two-step perturbation approach. Numerical studies are performed to compare the results obtained from the present model and the EIM. The results reveal that, in most cases, the difference of the fundamental frequency between the two models is over 10% and in that case the EIM is not suitable for the linear free vibration analysis of porous sandwich cylindrical shells reinforced by GPLs, whereas for the nonlinear-to-linear frequency ratio curves, the difference between the two models is less than 2% when the non-dimensional vibration amplitude reaches 1.0 and in that case the EIM may be valid in the analysis for the same shell.

Statistical learning for train delays and influence of winter climate and atmospheric icing

This study investigated the climate effect under consecutive winters on the arrival delay of high-speed passenger trains. Inhomogeneous Markov chain model and stratified Cox model were adopted to account for the time-varying risks of train delays. The inhomogeneous Markov chain modelling used covariates weather variables, train operational direction, and findings from the primary delay analysis through stratified Cox model. The results showed that temperature, snow depth, ice/snow precipitation, and train operational direction, significantly impacted the arrival delay. Further, by partitioning the train line into three segments as per transition intensity, the model identified that the middle segment had the highest chance of a transfer from punctuality to delay, and the last segment had the lowest probability of recovering from delayed state. The performance of the fitted inhomogeneous Markov chain model was evaluated by the walk-forward validation method, which indicated that approximately 9% of trains may be misclassified as having arrival delays by the fitted model at a measuring point on the train line. With the model performance, the fitted model could be beneficial for both travellers to plan their trips reasonably and railway operators to design more efficient and wiser train schedules as per weather condition.

Modeling and Re‐Examination of Nonlinear Vibration and Nonlinear Bending of Sandwich Plates with Porous FG‐GPLRC Core

In this article, an inhomogeneous model is proposed to predict the material properties of porous GPL‐reinforced composite (GPLRC) and to predict the mechanical responses of a sandwich plate which consists of top and bottom metal face sheets and a porous GPLRC core. The GPLRC core is assumed to be multilayers, and each layer may have different values of porosity coefficient to achieve a piece‐wise functionally graded pattern. Young's moduli along with shear modulus of porous GPLRC core are predicted by a generic Halpin‐Tsai model in which the porosity is included. Thermo‐mechanical properties of both metal face sheets and porous GPLRC core are assumed to be temperature‐dependent. The governing equations of motion for porous sandwich plates are solved by applying a two‐step perturbation approach to obtain the analytical solutions for the two cases of nonlinear vibration and nonlinear bending of porous sandwich plates. Numerical studies are performed to compare the results obtained from the present model and the equivalent isotropic model (EIM). The results reveal that, for most cases, the difference of natural frequencies between two models is over 30%, and the vibration frequency–amplitude curves and the bending load–deflection curves are underestimated by using the EIM.

Re-examination of nonlinear vibration and nonlinear bending of porous sandwich cylindrical panels reinforced by graphene platelets

Abstract This article re-examines the nonlinear vibration and nonlinear bending responses of porous sandwich cylindrical panels reinforced by graphene platelets resting on elastic foundations in thermal environments. The graphene platelet-reinforced composite (GPLRC) core is assumed to be of multilayers, and each layer may have different porosity coefficient values to achieve a piece-wise functionally graded pattern. By introducing an inhomogeneous model instead of the equivalent isotropic model (EIM), the Young’s moduli along with the shear modulus of the porous GPLRC core are predicted through a generic Halpin–Tsai model in which the porosity is included. The thermomechanical properties of metal face sheets and the porous GPLRC core are assumed to be temperature-dependent. Governing equations of motion for sandwich cylindrical panels with porous GPLRC core are formulated based on Reddy’s third-order shear deformation theory coupled with von Kármán nonlinear strain–displacement relationships. In the modeling, the panel–foundation interaction and the thermal effects are also considered. The analytical solutions for the nonlinear vibration and nonlinear bending problems are obtained by applying a two-step perturbation approach. Numerical studies are performed to compare the results obtained from the present model and the EIM. The results confirm that the EIM is not suitable for linear free vibration analysis of sandwich cylindrical panels with the porous GPLRC core, but the EIM may be valid for the cases of nonlinear vibration and nonlinear bending analyses of the same panel resting on Pasternak elastic foundations.

Hip joint load prediction using inverse bone remodeling with homogenized FE models: Comparison to micro-FE and influence of material modeling strategy

Background and objectiveMeasuring physiological loading conditions in vivo can be challenging, as methods are invasive or pose a high modeling effort. However, the physiological loading of bones is also imprinted in the bone microstructure due to bone (re)modeling. This information can be retrieved by inverse bone remodeling (IBR). Recently, an IBR method based on micro-finite-element (µFE) modeling was translated to homogenized-FE (hFE) to decrease computational effort and tested on the distal radius. However, this bone has a relatively simple geometry and homogeneous microstructure. Therefore, the objective of this study was to assess the agreement of hFE-based IBR with µFE-based IBR to predict hip joint loading from the head of the femur; a bone with more complex loading as well as more heterogeneous microstructure. MethodshFE-based IBR was applied to a set of 19 femoral heads using four different material mapping laws. One model with a single homogeneous material for both trabecular and cortical volume and three models with a separated cortex and either homogeneous, density-dependent inhomogeneous, or density and fabric-dependent orthotropic material. Three different evaluation regions (full bone, trabecular bone only, head region only) were defined, in which IBR was applied. µFE models were created for the same bones, and the agreement of the predicted hip joint loading history obtained from hFE and µFE models was evaluated. The loading history was discretized using four unit load cases. ResultsThe computational time for FE solving was decreased on average from 500 h to under 1 min (CPU time) when using hFE models instead of µFE models. Using more information in the material model in the hFE models led to a better prediction of hip joint loading history. Inhomogeneous and inhomogeneous orthotropic models gave the best agreement to µFE-based IBR (RMSE% <14%). The evaluation region only played a minor role. ConclusionshFE-based IBR was able to reconstruct the dominant joint loading of the femoral head in agreement with µFE-based IBR and required considerably lower computational effort. Results indicate that cortical and trabecular bone should be modeled separately and at least density-dependent inhomogeneous material properties should be used with hFE models of the femoral head to predict joint loading.

Functional traits explain both seedling and adult plant spatial patterns in gypsum annual species

Abstract Ecological processes such as seed dispersal or plant–plant interactions and environmental constraints such as climate or soil heterogeneity are known to influence establishment, and thus the spatial patterns of plant communities and populations. In this study, we hypothesized that key functional traits such as the specific leaf area (SLA), reproductive ratio (reproductive/vegetative biomass), seed mass and maximum plant height would influence the spatial patterns of individual species in annual, gypsophilous plant communities, and that these effects would be modulated by both the soil surface structure (biocrust) and climate (precipitation) conditions. We mapped the spatial patterns of all plants found in six 1 × 1 m plots (more than 1000 individuals per plot) in both the seedling (autumn) and adult stages (spring) under two biocrust experimental conditions (intact vs. disturbed biocrust) during two consecutive years which were contrasted in term of precipitation (dry year and wet year). To assess the spatial patterns of seedlings and adults, we fitted four different spatial point pattern models (i.e. Poisson, inhomogeneous Poisson, Poisson cluster and inhomogeneous Poisson cluster processes) to each of the 242 populations of the 26 most abundant species that had more than 15 individuals per plot. Most seedling populations exhibited clustered spatial patterns that persisted in the adult stage, which suggests that short‐distance dispersal is an adaptive trait for soil specialists such as gypsophilous plants. One‐third of the populations fitted an inhomogeneous model best but the physical structure of the biocrust was not related to them. More importantly, we found a connection between the functional strategies of species and the spatial distribution of plants. In particular, during the dry year, irrespective of the biocrust conditions, species with a high SLA and high Rep/Veg mainly exhibited clustered spatial patterns, whereas low SLA and low Rep/Veg were associated with random distributions. Species with heavy and light seed masses had random and clustered patterns, respectively. In both the dry and wet years, species with lower maximum heights had clustered patterns, whereas taller species exhibited random patterns. In addition, species with heavier seeds and greater maximum heights had the largest cluster sizes. Our results confirm that the spatial patterns of seedlings and adult plants are significantly determined by the functional strategy of each species. Read the free Plain Language Summary for this article on the Journal blog.

An Analytical Antenna Modeling of Electromagnetic Wave Propagation in Inhomogeneous Media Using FDTD: A Comprehensive Study.

This paper discusses the challenges in characterizing electromagnetic (EM) waves propagating through inhomogeneous media, such as reinforced cement concrete and hot mix asphalt. Understanding the EM properties of materials, including their dielectric constant, conductivity, and magnetic permeability, is crucial to analyzing the behavior of these waves. The focus of this study is to develop a numerical model for EM antennas using the finite difference time domain (FDTD) method, and to gain a deeper understanding of various EM wave phenomena. Additionally, we verify the accuracy of our model by comparing its results with experimental data. We analyze several antenna models with different materials, including the absorber, high-density polyethylene and perfect electrical conductors, to obtain an analytical signal response that is verified against the experimental response. Furthermore, we model the inhomogeneous mixture of randomly distributed aggregates and voids within a medium. We verify the practicality and reliability of our inhomogeneous models using experimental radar responses on an inhomogeneous medium.

Redshift drift in a universe with structure. II. Light rays propagated through a Newtonian N -body simulation

The redshift drift is computed along light rays propagating through a simulated universe based on the Newtonian N-body simulation code GADGET-2 combined with a perturbed Friedmann-Lemaitre-Robertson-Walker metric in the Newtonian gauge. It is found that the mean redshift drift is equal to the drift of the mean redshift to the precision of the numerical computations and that this is due to a high degree of cancellation between two dominant components of the redshift drift. This result is contrary to earlier findings based on inhomogeneous cosmological models exhibiting cosmic backreaction. \newline\indent For simplicity, the results neglect contributions from optical drift. Based on a study of the redshift drift in a Lemaitre-Tolman-Bondi model, the optical drift effects are estimated to be at most of order 10\% of the redshift drift signal. In addition, it is found that the redshift drift contribution from peculiar acceleration of the emitter is negligible in the simulation setup. However, it is expected that the contribution from peculiar acceleration of the emitter is suppressed in the setup due to low resolution of structures and it is hence expected that this contribution will be larger for real observations.

Coseismic gravitational curvatures changes in a spherical symmetric Earth model

The occurrence of subduction earthquakes usually leads to considerable localized mass migration changes. To improve the detection of earthquake subductions as well as the constraint of fault parameters, we derive expressions that describe changes of the gravitational curvatures (GC), i.e., the third-order derivatives of the Earth's gravitational potential, caused by a point dislocation while adopting a spherical symmetric Earth model. As a 3-D tensor matrix, the GC have twenty-seven components of those seven are independent. First, we investigate the dislocation Love numbers of the Earth's gravitational potential and derive the Green's functions of GC caused by four independent point sources in a spherical inhomogeneous Earth model. We then present the GC changes in a half-space Earth model. Furthermore, we conduct a sensitivity study by using three physical quantities that involve gravitation, gravitational gradients, and GC to compare their abilities in a seismic source depth detection. Our numerical results reveal that changes in the GC are more sensitive to a medium information about the field source compared to gravitation and gravitational gradients. This finding indicates that GC measurements could provide a more detailed information about slip fault parameters when considering a heterogeneous slip. Despite a widespread application of gravity gradients in Earth science, especially after launching the Gravity Field and Steady-State Ocean Circulation Explorer (GOCE) satellite mission, measurements of the third-order derivatives of the gravitational potential have an enormous potential in the study of the solid Earth, although further work is needed in terms of instrument design and development.

Fast prediction of antibiotic permeability through membrane channels using Brownian dynamics

The efficient permeation across the Gram-negative bacterial membrane is an important step in the overall process of antibacterial action of a molecule and the one that has posed a significant hurdle on the way toward approved antibiotics. Predicting the permeability for a large library of molecules and assessing the effect of different molecular transformations on permeation rates of a given molecule is critical to the development of effective antibiotics. We present a computational approach for obtaining estimates of molecular permeability through a porin channel in a matter of hours using a Brownian dynamics approach. The fast sampling using a temperature acceleration scheme enables the approximate estimation of permeability using the inhomogeneous solubility diffusion model. Although the method is a significant approximation to similar all-atom approaches tested previously, we show that the present approach predicts permeabilities that correlate fairly well with the respective experimental permeation rates from liposome swelling experiments and accumulation rates from antibiotic accumulation assays, and is significantly, i.e., about 14 times, faster compared with a previously reported approach. The possible applications of the scheme in high-throughput screening for fast permeators are discussed.

On the evolution of supercavity geometry and unsteady behavior of supercavitation flow during the development of a twin-vortex supercavity

To investigate the evolution of supercavity geometry and the unsteady characteristics of the supercavitation flow from the initial generation to full development. A three-dimensional numerical model with the inhomogeneous multiphase model and SST k−ω turbulence model was established. The numerical model was validated by experimental results. The ventilated supercavitation flow was performed under the different gas entrainment coefficients and Froude numbers. The results show that the initial supercavity closure mode is the re-entrant jet, then the closure mode changes to the twin-vortex induced by the gravitational effect. For the fully developed twin-vortex supercavity, a flow structure with gas recirculation exists inside the supercavity, which includes the reverse flow region and downstream flow region. Compared to the supercavity with the twin-vortex closure mode, the increment in the supercavity dimension with the re-entrant jet closure mode increases drastically, and the oscillation characteristic of internal pressure increases, leading to the significant supercavity deformation and gas shedding. The difference of the supercavity dimension is revealed by analyzing the gas leakage behavior. Further, a theoretical model describing the strength of re-entrant jet is established to reveal the transition mechanism of the supercavity closure mode and analyze the unsteady flow characteristics during the supercavity development.

ANALYSIS OF BENDING MECHANICAL PERFORMANCE OF WELDING JOINTS WITH THE ADDITION OF DIAMOND AND CIRCULAR PLATES

The design and analysis of welded joints are very useful for the safety of steel-based structures. The effect of welded joints meeting at one point on the resulting stress is a critical factor in constructing steel joints. The main objective of this research is to analyze the mechanical performance and microstructure of the welding process on diamond and circular plate joints. The analysis was carried out through experiments and finite element simulations to find out how much influence the addition of a diamond plate and circular plate had on the plate connection. The method used is to analyze the strength, hardness, and micro and macrostructure testing to determine the strength and structural changes of the metal after welding. The results of the test are then used to create an inhomogeneous model of weld joint, then the model is applied to the FEA software to be analyzed by the bending test simulation. The experimentally bending testing was carried out to examine bending performance of the test objects. From the simulation and experimental results, it is found that the shape of a circular plate measuring a diameter of 60 mm with a thickness of 6 mm is appropriate for a flat plate joint, and the flat-diamond plate measuring 60x60 mm with a thickness of 6 mm is proper for application to un-flat (cornered) plate joints. The structural integrity of a flat plate joint with a circular plate is greater than that of a diamond plate.

Calculation of Effective Characteristics of a 2D Composite with Rhombic Voids Using an Inhomogeneous Cell Model

One of the most common approximations in the theory of composite materials is the homogenization theory. The main difficulty in its application lies in solving the cell problem, i.e., the boundary value problem on a periodically repeating element of composite material. For the case of inclusions of large size and with characteristics far superior to those of the matrix, the lubrication approach gives good results. However, the use of such an asymptotic approach is unnatural for the case when the characteristics of the matrix exceed the characteristics of the inclusion. In the presented work, the problem of conductivity for a 2D composite with rhombic voids is considered. The solution of the cell problem is carried out by two methods. First, the lubrication approach is used for this purpose. In addition, a modification of the Schwarz alternating method is proposed. This new approach has been called an “inhomogeneous cell model”. Both methods made it possible to obtain analytical expressions for the effective conductivity. A comparison of the indicated approximate models is carried out, and it is shown that the obtained solutions exactly satisfy Keller’s theorem. The physical foundations of the proposed inhomogeneous cell model are discussed. Its advantage in solving the considered problem is shown.

Structural Variations of Dust Acoustic Solitary Waves (DASWs) Propagating in an Inhomogeneous Plasma

This paper presents our theoretical investigations on the structural variations of dust acoustic solitary waves (DASWs) in inhomogeneous unmagnetized plasmas. To study the structural variations of DASWs, we have considered collisionless, hot isothermal, and Boltzmannean distribution for electrons-ions with negatively charged dust grains in weakly inhomogeneous plasmas. We have used the reductive perturbation technique (RPT) in the governing equations of plasmas, derived the modified Korteweg-de-Vries (m‑KdV) equation, and obtained the solitary wave solution. We have considered the appropriate stretched coordinates for space and time variables for the inhomogeneous plasma. This paper investigates the effects of dust particles on ion-acoustic solitary waves' propagation in the inhomogeneous plasma model. We have also included the effect of inhomogeneity parameters on the soliton structures.

Effects of inhomogeneous wave modeling on extreme responses of a very long floating bridge

Floating bridges are usually deployed in fjords where the wave fields are inhomogeneous. The wave inhomogeneity has been found to induce significant effects on dynamic responses, however, it was rarely considered during the extreme response analyses of floating bridges. The present study deals with the effects of inhomogeneous wave modeling on extreme responses of a very long end-anchored floating bridge. The inhomogeneous wave field modeling accounts for the spatial variation of wave spectral parameters as well as the coherence of wave elevations between different positions. Structural responses under various wave conditions are simulated through fully-coupled hydro-elastic simulations. The long-term extreme responses are investigated by a simplified environmental contour method, where the long-term extremes are approximated by extremes at a high quantile in carefully selected short-term sea states. The characteristics of simulated waves and responses are first analyzed to serve as a basis for extreme prediction. Uncertainties associated with extreme analyses are also studied. It is found that the coherence of wave elevations has significant influences on the standard deviation and the spatial correlation of the responses. The extreme values of the axial force vary between different modeling of inhomogeneous wave loads and become significantly larger considering partially correlated wave fields.

Optimization of Glulam Beams with Spatially Dependent Polymorphic Uncertainty Modeling of Structural Inhomogeneity in Virtual Boards

AbstractSeveral uncertainties are induced by the natural growth of wood. The properties of timber components are affected by naturally varying material characteristics. In addition, structural inhomogeneity has to be accounted for solid wood components. Structural inhomogeneity is dependent on, e.g., natural fissures, inclusions, and especially branches that pervade wooden boards. Those pervasions result in timber boards containing multiple scattered knots.Polymorphic uncertainty models are required to account for diverse uncertainty characteristics. Natural variability and lack of knowledge are persistent for the uncertainty modeling of natural materials, such as wood. To incorporate those aleatoric and epistemic uncertainty characteristics, uncertainty analyses are performed based on combined fuzzy and stochastic models.In this contribution, fuzzy probability based random fields are proposed as polymorphic uncertainty approach, with respect to spatial dependencies of the uncertain variables. Methods for the simulation of timber boards are introduced, where knots are established referred to the specific position of the tree trunk axis and spread over the components.Glulam beams, containing multiple slats of wooden boards, are investigated for bending load cases as numerical example. The tensile zone is simulated with knots in the timber boards. The basic deterministic solution is performed with a local‐orthotropic material formulation, with respect to the grain directions of the wood matrix and knots. Therefore, the knots are discretized separately in the FE mesh. Distinct material properties and grain directions are assigned to the discrete knots and to the surrounding wood matrix, while the grain directions are dependent on the tree trunk axis.Both, stochastic and fuzzy models are used in field formulations for the spatially dependent polymorphic uncertainties. The knottiness of timber boards – specified by parameters of knot geometry, location and incidence – is dependent on the wood grade. In this contribution, methods for decision making of glulam beam designs are suggested. For this purpose, several design variables are examined. First, the knottiness or wood grade, where a higher grade results in reduced structural inhomogeneity, and second, the thickness of the slats in the glulam beam are considered. Both aspects influence the reliability and robustness of the component, but affect the costs. The maximum endurance of the glulam beam under bending is desired. Therefore, an optimization of the glulam beam design is performed, with respect to the multiple conflicting objectives.

Out-of-plane Ferromagnetic Resonance and Surface Spin Wave Modes in Ni80Fe20 Film on Ripple-Patterned Sapphire Substrate

The study of surface magnetic anisotropy of magnetic films is beneficial to understanding the behaviors of films at high frequencies and further promoting their high-frequency magnetic applications. We investigated the out-of-plane ferromagnetic resonance (FMR) and surface spin wave modes in 40-nm Ni80Fe20 (NiFe) films deposited on ripple-patterned sapphire substrate with periodicity and a flat sapphire substrate by broad-band FMR technique. When measuring the FMR of the film on ripple-patterned substrate, the in-plane angle (\U0001d711 H of the external applied magnetic field was along the direction of the ripples (\U0001d711 H = 90°) and perpendicular to the ripple direction (\U0001d711 H = 0°) respectively. The spin-wave resonance spectra consisting of up to two surface spin wave (SSW) modes were observed as the external magnetic field polar angle θH varied from “in-plane configuration” (θH = 90° ) to “out-of-plane configuration” (θH = 0°). As the decrease of θH , the two surface spin excitations disappeared in sequence and further only FMR mode was observed in the region θH which was smaller than the “critical angle” θc . The θc of \U0001d711 H = 90° is found to be different from that for \U0001d711 H = 0°. The dependences of field shift vs. out-of-plane angles θH for each SSW mode were analyzed by the surface inhomogeneity model. From the model, the surface anisotropy constants Ks of films were obtained. The results show that the values of surface anisotropy constants for the two SSW modes are different. Compared with the film sputtered on flat sapphire substrate, after introducing ripple-patterned substrate, the variation of Ks is only on the order of 0.01 erg/cm2 for the film of this thickness.

Riemann problem and wave interactions for an inhomogeneous Aw-Rascle traffic flow model with extended Chaplygin gas

The Riemann problem and wave interactions are discussed and investigated for an inhomogeneous Aw-Rascle (AR) traffic flow model with extended Chaplygin gas pressure. First, under some variable transformation, the Riemann problem with initial data of two piecewise constants is solved and two different types of Riemann solutions involving rarefaction wave, shock wave and contact discontinuity are obtained. Second, by studying the Riemann problem with three-piecewise-constant initial data, we analyze the interactions of waves and establish the global structures of Riemann solutions. It is shown that, influenced by the source term, the Riemann solutions for the inhomogeneous AR traffic flow model are no longer self-similar, and all the elementary wave curves do not keep straight. Finally, the stability of solution under the small perturbation of initial data is briefly discussed.

COVID-19 transmission risk in Surabaya and Sidoarjo: an inhomogeneous marked Poisson point process approach.

Understanding the spatio-temporal dynamics of COVID-19 transmission is necessary to plan better strategies for controlling the spread of the disease. However, only a few studies explore the COVID-19 transmission risk over a fine spatial resolution while considering relevant spatial and temporal factors. To this aim, we consider an inhomogeneous marked Poisson point process model to assess COVID-19 transmission risk using data of home addresses of confirmed cases, in relation to locations of sources of crowd (enterprise, market, and place of worship) and population density in Surabaya and Sidoarjo, Indonesia. Our marked model is able to analyze how the spatial covariates are varying with time, helping authorities to evaluate the information of covariates depending on the period in which restrictions are taking place. Our results show that enterprise, place of worship, and population densities have significant impact to the transmission risk in Surabaya and Sidoarjo. We finally provide predicted risk maps which provide additional information based on the demographic-based risk analysis to help conduct more efficient testing, tracing, and vaccination programs.

Passive permeability controls synthesis for the allelochemical sorgeoleone in sorghum root exudate.

Competition for soil nutrients and water with other plants foster competition within the biosphere for access to these limited resources. The roots for the common grain sorghum produce exudates that are released into the soil to compete with other plants. Sorgoleone is one such compound, which suppresses weed growth near sorghum by acting as a qunione analog and binding to and inhibiting photosystem II during photosynthesis. Since sorghum also grows photosynthetically, and may be susceptible to sorgoleone action if present in tissues above ground, it is essential for sorgoleone to be excreted efficiently. However, since the P450 enzymes that synthesize sorgoleone are intracellular, the release mechanism for sorgoleone remain unclear. In this study, we conducted an in silico survey for sorgoleone and its precursors to passively permeate biological membranes. To enhance simulation accurate, simulation parameters for sorgoleone and its precursors were optimized using CHARMM methodology. These parameters were used to conduct one microsecond of unbiased molecular dynamics simulations to compare the permeability of sorgoleone with its precursors molecules. We find that interleaflet transfer is maximized for sorgoleone, relative to its precursors. To compute a permeability coefficient using the inhomogeneous solubility diffusion model, we determined the free energy and diffusivity through Replica Exchange Umbrella Sampling simulations. The REUS calculations highlight that sorgleone permeates quickly and may form aggregates in solution that lower the dissolved concentration. This suggests that sorgoleone synthesis occurs within sorghum cells and that sorgoleone is exuded by permeating through the cell membrane without the need for a transport protein.