Explicit Dynamics Simulations Research Articles

Specific Ion Effects in Lanthanide-Amphiphile Structures at the Air-Water Interface and Their Implications for Selective Separation.

The use of surfactants to attract dissolved ions to water surfaces and interfaces is an essential step in both solvent-based and solvent-free separation processes. We have studied the interactions of lanthanide ions in the aqueous subphase with monolayers of dihexadecyl phosphate at air-water interfaces. With heavier lanthanides (atomic number Z ≥ 65) in the subphase, the floating layer can be compressed to an area/molecule of about half the molecular cross section, indicating bilayer formation. X-ray fluorescence and reflectivity data support this conclusion. In the presence of lighter lanthanides (Z < 65), only monolayers are observed. Subphase-concentration-dependent studies using Er3+ (heavier) and Nd3+ (lighter) lanthanides show a stepwise progression, with ions attaching to the monolayer only when the solution concentration is >3 × 10-7 M. Above ∼10-5 M, bilayers form but only in the presence of the heavier lanthanide. Grazing incidence X-ray diffraction shows evidence of lateral ion-ion correlations in the bilayer structure but not in monolayers. Explicit solvent all-atom molecular dynamics simulations confirm the elevated ion-ion correlation in the bilayer system. This bilayer structure isolates heavier lanthanides but not lighter lanthanides from an aqueous solution and is therefore a potential mechanism for the selective separation of heavier lanthanides.

The molecular origin of the electrostatic gating of single-molecule field-effect biosensors investigated by molecular dynamics simulations.

Field-effect biosensors (bioFETs) offer a novel way to measure the kinetics of biomolecular events such as protein function and DNA hybridization at the single-molecule level on a wide range of time scales. These devices generate an electrical current whose fluctuations are correlated to the kinetics of the biomolecule under study. BioFETs are indeed highly sensitive to changes in the electrostatic potential (ESP) generated by the biomolecule. Here, using all-atom solvent explicit molecular dynamics simulations, we further investigate the molecular origin of the variation of this ESP for two prototypical cases of proteins or nucleic acids attached to a carbon nanotube bioFET: the function of the lysozyme protein and the hybridization of a 10-nt DNA sequence, as previously done experimentally. Our results show that the ESP changes significantly on the surface of the carbon nanotube as the state of these two biomolecules changes. More precisely, the ESP distributions calculated for these molecular states explain well the magnitude of the conductance fluctuations measured experimentally. The dependence of the ESP with salt concentration is found to agree with the reduced conductance fluctuations observed experimentally for the lysozyme, but to differ for the case of DNA, suggesting that other mechanisms might be at play in this case. Furthermore, we show that the carbon nanotube does not impact significantly the structural stability of the lysozyme, corroborating that the kinetic rates measured using bioFETs are similar to those measured by other techniques. For DNA, we find that the structural ensemble of the single-stranded DNA is significantly impacted by the presence of the nanotube, which, combined with the ESP analysis, suggests a stronger DNA-device interplay. Overall, our simulations strengthen the comprehension of the inner working of field-effect biosensors used for single-molecule kinetics measurements on proteins and nucleic acids.

Study on the influence of structure shape of semi armour piercing warhead on vertical armour piercing efficiency

In order to evaluate the impact of different warhead shapes on the damage efficiency of semi armour piercing warhead effectively, four common semi armour piercing warhead models are established based on Solidworks, and the deck model is established with reference to the deck data of an aircraft carrier. And then the material setting and grid division are carried out based on Ansys so as to construct the explicit dynamic simulation model. The credibility of the model is verified based on the residual velocity theory after the model being established. Finally, based on the established model, the simulation research on the influence of warhead shape on vertical armour piercing ability is carried out. The results show that under the same velocity, the armour piercing ability of sharp oval and conical warheads are better and their residual velocity are higher.

Higher order and continuity [formula omitted] projections with piece-wise constant test functions

We focus on the isogeometric L2 projection problem employing higher-order C1 continuity basis functions that preserve the partition of unity. We show that the rows of the system of linear equations can be combined, and the test functions can be sum up to 1 using the partition of unity property at the quadrature points. Thus, the test functions in higher continuity IGA can be set to piece-wise constants. This formulation is equivalent to testing with piece-wise constant basis functions, with supports span over some parts of the domain. The resulting method is a Petrov–Galerkin formulation with piece-wise constant test functions. This observation has the following consequences. The numerical integration cost can be reduced because we do not need to evaluate the test functions since they are equal to 1. This observation is valid for any basis functions preserving the partition of unity property. It is independent of the problem dimension and geometry of the computational domain. The resulting method is equivalent to a linear combination of the collocations at points and with weights resulting from applied quadrature over the spans defined by supports of the piece-wise constant test functions. We show the algorithm for finding optimal supports of the piece-wise constant test functions using the inf–sup condition argument. We also discuss how the piece-wise constants’ replacement of the test functions can be utilized in modern integration methods, with weighted quadrature, sum factorization, and row by row assembly. We test our method on the isogeometric L2 projection, the explicit dynamics simulations in two and three dimensions, the heat transfer problem, and the three-dimensional elastic wave propagation simulations.

Structure-based identification of novel scaffolds as potential HIV-1 entry inhibitors involving CCR5

C-C chemokine receptor 5 (CCR5), which is part of the chemokine receptor family, is a member of the G protein-coupled receptor superfamily. The interactions of CCR5 with HIV-1 during viral entry position it as an effective therapeutic target for designing potent antiviral therapies. The small-molecule Maraviroc was approved by the FDA as a CCR5 drug in 2007, while clinical trials failure has characterised many of the other CCR5 inhibitors. Thus, the continual identification of potential CCR5 inhibitors is, therefore, warranted. In this study, a structure-based discovery approach has been utilised to screen and retrieved novel potential CCR5 inhibitors from the Asinex antiviral compound (∼ 8,722) database. Explicit lipid-bilayer molecular dynamics simulation, in silico physicochemical and pharmacokinetic analyses, were further performed for the top compounds. A total of 23 structurally diverse compounds with binding scores higher than Maraviroc were selected. Subsequent molecular dynamics (MD) simulations analysis of the top four compounds LAS 51495192, BDB 26405401, BDB 26419079, and LAS 34154543, maintained stability at the CCR5 binding site. Furthermore, these compounds made pertinent interactions with CCR5 residues critical for the HIV-1 gp120-V3 loop binding such as Trp86, Tyr89, Phe109, Tyr108, Glu283 and Tyr251. Additionally, the predicted in silico physicochemical and pharmacokinetic descriptors of the selected compounds were within the acceptable range for drug-likeness. The results suggest positive indications that the identified molecules may represent promising CCR5 entry inhibitors. Further structural optimisations and biochemical testing of the proposed compounds may assist in the discovery of effective HIV-1 therapy. Communicated by Ramaswamy H. Sarma

Finite element analysis of blueberry stack damage

AbstractBlueberries are prone to mechanical damage during the processes of grading, packaging, transportation, and selling, and stack damage is one of the important causes of blueberry quality loss. The mechanical parameters of blueberry should be obtained firstly to create the mechanical model for analyzing the stack problems of multilayer blueberries. Precise mechanical parameters were obtained for the first time by performing a compression experiment and analyzing an explicit dynamics simulation based on the finite element model. It was found that the elastic modulus of the blueberries was 0.225 MPa and that the Poisson's ratio of the blueberries was 0.35. The placement direction of the blueberries had the greatest impact on the rupture force, followed by the number of stacked layers and the loading speed. A regression model was also obtained by considering the influences of the three factors on the rupture force. The rupture force in this research ranged from 3.15 to 7.04 N. The calyx and bottom were the most vulnerable parts of the blueberries. The upper contact part of multilayer blueberries had a greater chance of damage, and the lower contact part was the opposite because the blueberries close to the bottom layer exerted a buffering effect. Moreover, this research demonstrates the importance of applying linear explicit dynamics simulation techniques to agricultural and food products.Practical ApplicationsThe main reason for the decreasing market value and quality of blueberries is damage occurring between the point of harvesting and consumption. The damage caused by stack is one of the important factors in this process. This article accurately determined the mechanical parameters of blueberries. On this basis, the important factors that cause blueberry stack damage were further studied. Taking the rupture force as a measure, empirical models for rupture susceptibility were described. This article not only provides ideas for how to reduce blueberry stack damage and to extend blueberry shelf life but also provides a theoretical basis for research on the mechanical structure and mechanized processing of blueberries.

Met35 Oxidation Hinders Aβ25-35 Peptide Aggregation within the Dimyristoylphosphatidylcholine Bilayer.

Using all-atom explicit solvent replica exchange molecular dynamics simulations, we studied the aggregation of oxidized (ox) Aβ25-35 peptides into dimers mediated by the zwitterionic dimyristoylphosphatidylcholine (DMPC) lipid bilayer. By comparing oxAβ25-35 aggregation with that observed for reduced and phosphorylated Aβ25-35 peptides, we elucidated plausible impact of post-translational modifications on cytotoxicity of Aβ peptides involved in Alzheimer's disease. We found that Met35 oxidation reduces helical propensity in oxAβ25-35 peptides bound to the lipid bilayer and enhances backbone fluctuations. These factors destabilize the wild-type head-to-tail dimer interface and lower the aggregation propensity. Met35 oxidation diversifies aggregation pathways by adding monomeric species to the bound conformational ensemble. The oxAβ25-35 dimer becomes partially expelled from the DMPC bilayer and as a result inflicts limited disruption to the bilayer structure compared to wild-type Aβ25-35. Interestingly, the effect of Ser26 phosphorylation is largely opposite, as it preserves the wild-type head-to-tail aggregation interface and strengthens, not weakens, aggregation propensity. The differing effects can be attributed to the sequence locations of these post-translational modifications, since in contrast to Ser26 phosphorylation, Met35 oxidation directly affects the wild-type C-terminal aggregation interface. A comparison with experimental data is provided.

Instantaneous equilibrium transition for Brownian systems under time-dependent temperature and potential variations: Reversibility, heat and work relations, and fast isentropic process

The theory of constructing instantaneous equilibrium (ieq) transition under arbitrary time-dependent temperature and potential variation for a Brownian particle is developed. It is shown that it is essential to consider the underdamped dynamics for temperature-changing transitions. The ieq is maintained by a time-dependent auxiliary position and momentum potential, which can be calculated for given time-dependent transition protocols. Explicit analytic results are derived for the work and heat statistics, energy, and entropy changes for harmonic and non-harmonic trapping potential with arbitrary time-dependent potential parameters and temperature protocols. Numerical solutions of the corresponding Langevin dynamics are computed to confirm the theoretical results. Although ieq transition of the reverse process is not the time-reversal of the ieq transition of the forward process due to the odd-parity of controlling parameters, their phase-space distribution functions restore the time-reversal symmetry, and hence the energy and entropy changes of the ieq of the reverse process are simply the negative of that of the forward process. Furthermore, it is shown that it is possible to construct an ieq transition that has zero entropy change at a finite transition rate, i.e., a fast ieq isentropic process, and is further demonstrated by explicit Langevin dynamics simulations. Our theory provides fundamental building blocks for designing controlled microscopic heat engine cycles. Implications for constructing an efficient Brownian heat engine are also discussed.

Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules.

We predicted water-octanol partition coefficients for the molecules in the SAMPL7 challenge with explicit solvent classical molecular dynamics (MD) simulations. Water hydration free energies and octanol solvation free energies were calculated with a windowed alchemical free energy approach. Three commonly used force fields (AMBER GAFF, CHARMM CGenFF, OPLS-AA) were tested. Special emphasis was placed on converging all simulations, using a criterion developed for the SAMPL6 challenge. In aggregate, over 1000[Formula: see text]s of simulations were performed, with some free energy windows remaining not fully converged even after 1[Formula: see text]s of simulation time. Nevertheless, the amount of sampling produced [Formula: see text] estimates with a precision of 0.1 log units or better for converged simulations. Despite being probably as fully sampled as can expected and is feasible, the agreement with experiment remained modest for all force fields, with no force field performing better than 1.6 in root mean squared error. Overall, our results indicate that a large amount of sampling is necessary to produce precise [Formula: see text] predictions for the SAMPL7 compounds and that high precision does not necessarily lead to high accuracy. Thus, fundamental problems remain to be solved for physics-based [Formula: see text] predictions.

Study on quasi-static mechanical properties of four 3D-printed bio-inspired structures based on functional relationship

Numerous complex structures with excellent mechanical properties have been created to adapt to impact conditions and these bio-inspired structures play a significant role in applications of protective engineering in the future. In this paper, the three-dimensional finite element models of the normal honeycomb structure, the concave honeycomb structure, the inclined column honeycomb structure and the imitational peanut shell structure are developed. Quasi-static crushing experiments, explicit dynamic simulation analysis and theoretical analysis are carried out to validate their availability, whose results verify the impact stability and specific energy absorption of the models. The results demonstrate ICHS can lead to the higher specific energy absorption. According to the comparison between NHS, CHS, ICHS and IPSS, it is found that the carrying capacity of ICHS increases by 82%, 73.4% and 9.6%, and the stiffness increases by 600.1%, 73.2% and 24.9%, respectively. Moreover, from the perspective of the overall collapse modes, the deformation of ICHS is the most stable.

SIMULATION OF DYNAMIC EVENT OF IMPACT USING EXPLICIT 3D FEM MODEL AND VALIDATION BY EXPERIMENT AND CONTACT MODELS

— In this study, an optimized method to simulate the dynamic 3D event of the impact of a rod with a flat surface has been presented. Unlike the 2D FEM based contact models, in this study both the bodies undergoing the impact are considered elastic(deformable) and simulation is the dynamic event of the impact, instead of predefined 2D symmetric contact analysis. Prominent contact models and plasticity models to define material properties in ANSYS are reviewed. Experimentation results of normal and oblique impact of the rod for different rods provided the coefficient of restitution. Experimental results of permanent deformation on the base for different impact velocity is derived out of a prominent impact study. The simulation results are in co-relation with experiment and both indentation and flattening models on the coefficient of restitution (COR) and permanent deformation of the base and rod after the impact. Thus, the presented 3D Explicit Dynamic simulation of impact is validated to analyze the impact behavior of the 2 bodies without any predefined assumptions with respect to boundary conditions or material properties.

Consideration of artificial compressibility for explicit computational fluid dynamics simulation

In this paper, we discuss the theoretical interpretation of the artificial compressibility method (ACM) to propose a new explicit method for the unsteady numerical simulation of fluid flow. The proposed method employs the compressible continuity and Navier–Stokes equations, which facilitates the replacement of pressure as one of the major variables with density, theoretically backed by virtual particle concept. This new concept justifies the theoretical treatment assuming the speed of sound in ACM as a model parameter determined by the grid system. More importantly, the present method realizes, in a fully explicit manner, the solving of a set of equations, which prevents the solving of the Poisson equation of pressure. The new method was validated and proven by comparing the results of two-dimensional cavity flow between the proposed method, conventional incompressible method, and the Lattice–Boltzmann method with varying Reynolds numbers (100, 1000, and 10000). The results of the proposed method agree well with conventional and reference data for both steady-state and unsteady-state conditions, although slight numerical oscillations were observed for the proposed method at a Reynolds number of 10000. Thus, the numerical validation assures that the proposed method is an explicit method based on a solid theoretical ground to be a new efficient simulation framework.

Atomistic Simulations of Laser-Controlled Exciton Transfer and Stabilization in Symmetric Double Quantum Dots.

The creation, transfer, and stabilization of localized excitations are studied in a donor-acceptor Frenkel exciton model in an atomistic treatment of reduced-size double quantum dots (QDs) of various sizes. The explicit time-dependent dynamics simulations carried out by hybrid time-dependent density functional theory/configuration interaction show that laser-controlled hole trapping in stacked, coupled germanium/silicon quantum dots can be achieved by a UV/IR pump-dump pulse sequence. The first UV excitation creates an exciton localized on the topmost QD and after some coherent transfer time, an IR pulse dumps and localizes an exciton in the bottom QD. While hole trapping is observed in each excitation step, we show that the stability of the localized electron depends on its multiexcitonic character. We present how size and geometry variations of three Ge/Si nanocrystals influence transfer times and thus the efficiency of laser-driven populations of the electron-hole pair states.

Crashworthiness Optimization Design of Regional Airliner’s Fuselage Section Through Topometry Optimization

An explicit dynamic simulation of the vertical crash of a regional airliner’s middle fuselage section has been conducted to investigate its crashworthiness. The simulation result shows that there are two major acceleration peaks in the crashing process when the crash velocity is . The initial acceleration peak is 15.8 g, and the secondary acceleration peak is 24.2 g with a duration of 0.02 s. The crash load efficiency is only 25.8%. The structural behavior above cannot satisfy the design requirements. In this paper, the topometry optimization method is applied to the crashworthiness design of the aircraft. The crashworthiness design of the fuselage is optimized using the target force–displacement response method proposed by the authors. The results show that the optimized fuselage structure of the airliner will produce more plastic hinges to dissipate the kinetic impact energy during the crash process. Therefore, the initial acceleration peak decreased to 11.7 g (decreased by 25.7%) and the secondary acceleration peak is completely eliminated. The acceleration–time curve is smoother than the initial design, and the crash load efficiency increased to 54.1% from 25.8%.

Multiscale Approaches for Confined Ring Polymer Solutions.

We apply a hierarchy of multiscale modeling approaches to investigate the structure of ring polymer solutions under planar confinement. In particular, we employ both monomer-resolved (MR-DFT) and a coarse-grained (CG-DFT) density functional theories for fully flexible ring polymers, with the former based on a flexible tangent hard-sphere model and the latter based on an effective soft-colloid representation, to elucidate the ring polymer organization within slits of variable width in different concentration regimes. The predicted monomer and polymer center-of-mass densities in confinement, as well as the surface tension at the solution-wall interface, are compared to explicit molecular dynamics (MD) simulations. The approaches yield quantitative (MR-DFT) or semiquantitative (CG-DFT) agreement with MD. In addition, we provide a systematic comparison between confined linear and ring polymer solutions. When compared to their linear counterparts, the rings are found to feature a higher propensity to structure in confinement that translates into a distinct shape of the depletion potentials between two walls immersed into a polymer solution. The depletion potentials that we extract from CG-DFT and MR-DFT are in semiquantitative agreement with each other. Overall, we find consistency among all approaches as regards the shapes, trends, and qualitative characteristics of density profiles and depletion potentials induced on hard walls by linear and cyclic polymers.

Interfacial, Electroviscous, and Nonlinear Dielectric Effects on Electrokinetics at Highly Charged Surfaces.

The dielectric constant and the viscosity of water at the interface of hydrophilic surfaces differ from their bulk values, and it has been proposed that the deviation is caused by the strong electric field and the high ion concentration in the interfacial layer. We calculate the dependence of the dielectric constant and the viscosity of bulk electrolytes on the electric field and the salt concentration. Incorporating the concentration and field-dependent dielectric constant and viscosity in the extended Poisson–Boltzmann and Stokes equations, we calculate the electro-osmotic mobility. We compare the results to literature experimental data and explicit molecular dynamics simulations of OH-terminated surfaces and show that it is necessary to additionally include the presence of a subnanometer wide interfacial water layer, the properties of which are drastically transformed by the sheer presence of the interface. We conclude that the origin of the anomalous behavior of aqueous interfacial layers cannot be found in electrostriction or electroviscous effects caused by the interfacial electric field and ion concentration. Instead, it is primarily caused by the intrinsic ordering and orientation of the interfacial water layer.

Effects of bruising of ‘Pink Lady’ apple under impact loading in drop test on firmness, colour and gas exchange of fruit during long term storage

The bruising phenomenon of apple fruit under impact loading is still a very important problem to be solved in order to design optimal harvest and processing systems and for ensuring the quality of the fruit during long-term periods of storage. This study focused on deformation simulation of apples (cv.’ Pink Lady’) under dynamic impact loading during drop tests in order to describe time-dependent bruising occurrence and the bruising effect on the postharvest fruit quality during long-term storage. In the study, analytical, experimental methods and finite element analysis based explicit dynamics simulation techniques were employed. Three drop heights (250 mm, 500 mm and 750 mm) and three impact materials (structural steel, high-density polyethylene and wood) and single fruit orientation (transverse) for the drop tests were considered. Experimental drop test, physical and chromatographic analyses at the time of harvest (first testing day) and during storage periods of 30, 120 and 210 days were realised. Physical and chromatographic analyses revealed that damaged apples lost a greater amount of weight when considering the increase in drop height. Furthermore, bruised surfaces of apples lost their luminosity just after the drop test. Ethylene production and respiration rates rapidly increased just after the fruit bruising and this increase was correlated with the drop height. Additionally, material tests revealed the yield stress point of the apple as 0.385 MPa and the simulation results provided useful visuals and numerical data related to the time-dependent bruising phenomenon. The validation study on the experimental and simulation setup revealed that bruising surface area is a more accurate measurement than bruise volume when evaluating bruising on the fruit flesh through a numerical method-based simulation study (average relative difference: 5.5 %).

Bcl-xL Dynamics under the Lens of Protein Structure Networks.

Understanding the finely orchestrated interactions leading to or preventing programmed cell death (apoptosis) is of utmost importance in cancer research because the failure of these systems could eventually lead to the onset of the disease. In this regard, the maintenance of a delicate balance between the promoters and inhibitors of mitochondrial apoptosis is crucial, as demonstrated by the interplay among the Bcl-2 family members. In particular, B-cell lymphoma extra-large (Bcl-xL) is a target of interest due to the forefront role of its dysfunctions in cancer development. Bcl-xL prevents apoptosis by binding both the pro-apoptotic BH3-only proteins, like PUMA, and the noncanonical partners, such as p53, at different sites. An allosteric communication between the BH3-only protein binding pocket and the p53 binding site, mediating the release of p53 from Bcl-xL upon PUMA binding, has been postulated and supported by nuclear magnetic resonance and other biophysical data. The molecular details of this mechanism, especially at the residue level, remain unclear. In this work, we investigated the distal communication between these two sites in Bcl-xL in its free state and when bound to PUMA. We also evaluated how missense mutations of Bcl-xL found in cancer samples might impair this communication and therefore the allosteric mechanism. We employed all-atom explicit solvent microsecond molecular dynamics simulations, analyzed through a Protein Structure Network approach and integrated with calculations of changes in free energies upon cancer-related mutations identified by genomics studies. We found a subset of candidate residues responsible for both maintaining protein stability and for conveying structural information between the two binding sites and hypothesized possible communication routes between specific residues at both sites.

Hydration Thermodynamics of the N-Terminal FAD Mutants of Amyloid-β.

The hydration thermodynamics of amyloid-β (Aβ) and its pathogenic familial Alzheimer's disease (FAD) mutants such as A2V, Taiwan (D7H), Tottori (D7N), and English (H6R) and the protective A2T mutant is investigated by a combination of all-atom, explicit water molecular dynamics (MD) simulations and the three-dimensional reference interaction site model (3D-RISM) theory. The change in the hydration free energy on mutation is decomposed into the energetic and entropic components, which comprise electrostatic and nonelectrostatic contributions. An increase in the hydration free energy is observed for A2V, D7H, D7N, and H6R mutations that increase the aggregation propensity of Aβ and lead to an early onset of Alzheimer's disease, while a reverse trend is noted for the protective A2T mutation. An antiphase correlation is found between the change in the hydration energy and the internal energy of Aβ upon mutation. A residue-wise decomposition analysis shows that the change in the hydration free energy of Aβ on mutation is primarily due to the hydration/dehydration of the side-chain atoms of the negatively charged residues. The decrease in the hydration of the negatively charged residues on mutation may decrease the solubility of the mutant, which increases the observed aggregation propensity of the FAD mutants. Results obtained from the theory show an excellent match with the experimentally reported data.

Design and testing of seed maize ear peeling roller based on Hertz theory

Seed maize Zea mays (corn in the USA) have a very high value and thus it is crucial to avoid problems of high grain damage and low removal rates that can occur during the peeling of ears to remove the bracts. A mechanical model of the dynamic process of seed maize ear peeling was established using a finite element explicit dynamics simulation of the peeling process based on the Hertz theory and a mechanical analysis of the collisions and friction between the ears and the rollers during the peeling process was carried out. The main factors that affect the magnitude of the collision force and friction force were obtained. Based on the results of the modelling, peeling rollers consisting of four rubber-cast iron mixed rollers with different patterns were designed. The rationality of the mechanical model was verified and, based on the designed peeling roller; a test rig was built to carry out high-speed video tests. The whole peeling process of seed maize ear using the rollers was observed, and the test results showed that the redesigned roller had a peeling rate of 93% and a grain damage rate of 1.87%. The performance of the peeling device designed in this study was significantly better than that of the standard peeling device. This research provides a theoretical basis for various types of seed maize peeling operations. • Hertz and film peeling theory calculated frictional force on during maize ear peeling. • Rollers redesigned to facilitate low damage but and high peeling rate. • FEM simulation and high-speed video used to asses force and movement. • Average force of the seed maize ear 17.9N with the peeling rate is 93%. • Grain damage rate was 1.87%.