Computer Simulation Method Research Articles

Structure and crystallization behavior of aqueous KCl-MgCl2 solutions.

Potassium resources are abundant in the brine of chloride-type salt lakes. The main challenge in the efficient separation and extraction of potassium from salt lakes lies in the insufficient understanding of the structure and crystallization behavior of brine solutions and their correlation. In the present work, X-ray scattering (XRS) and computational simulation methods were used to study the microstructure of KCl and MgCl2 mixed solutions, including the hydration and association structures of ions in the solutions. Furthermore, infrared (IR) spectroscopy was used to further study the crystallization behavior of solution droplets. The results indicate that the hydrogen bond network structure is disrupted as the mass fraction of MgCl2 increases. The addition of MgCl2 causes Mg2+ to compete with K+ for Cl- in solutions, hindering K+-Cl- association and forming contact K+-Cl--Mg2+ clusters, which results in a slower precipitation and crystallization rate of mixed solutions compared with that of aqueous KCl solutions. This study is expected to provide theoretical guidance for the efficient separation and extraction process of potassium resources in salt lake brine.

Contribution of interference to the magneto-optical transverse Kerr effect in white light

Objectives. When measuring the transverse Kerr effect on thin-film structures, interference effects have a great influence on the result obtained. In conference presentations, some researchers have reported on the use of white light in experiments. In their opinion, despite the thickness of the studied layers being much less than the wavelength of light, white light can help avoid interference effects and/or resonant excitation of plasmon waves. The aim of the present work is to verify the validity of such statements using simulation.Methods. In order to solve this problem, the method of computer simulation was used. A numerical solution of equations was compiled for a model structure for various thicknesses and materials of layers.Results. The simulation results show that interference effects in different parts of the spectrum when using white light sources do not neutralize each other. The magnitude of the effect is affected not only by the thickness of the structure layers, but also by the shape of the source emission spectrum, as well as the sensitivity curve of the photodetector. In this case, the output of the measured value of the effect to a plateau at relatively large thicknesses of the magnetooptical film is due to the light being absorbed in the thickness of the magneto-optical film and is negligibility of the back reflection of light from the substrate.Conclusions. The presented technique takes into account the influence of interference effects when measuring the equatorial Kerr effect in white light or using other sources having a wide spectral range, thus improving the interpretation of experimental results. The results are relevant to the development and research of the physical foundations for creating new and improving existing devices in micro-, nano-, and solid-state electronics, as well as quantum devices, including optoelectronic devices and converters of physical quantities.

Computer Modelling of Logistic Regression for Binary Classification

This article discusses the practical aspects of applying logistic regression for binary data classification. Logistic regression determines the probability of an object belonging to one of two classes. This probability is calculated with the help of a sigmoid function, the argument of which is a linear convolution of the feature vector of the object with the weighting coefficients obtained during the minimization of the logarithmic loss function. Predicted class labels are determined by comparing the calculated probability with a given threshold value. The logistic regression study was performed using the computer simulation method. For this, a software complex was developed, the work of which reproduces the main stages of logistic regression: preparation of input data, training, testing with determination of quality metrics of binary classification, application of the logistic regression method for data classification in practice. The paper examines the effect of overlapping and imbalance of classes in the input data set on the efficiency of binary classification. The overlapping of classes is modeled by the formation of input data based on two shifted relative to each other density functions of the normal distribution of random variables. Class imbalance is simulated by the probability of switching between these features. It is shown that when the distance between the mathematical expectations of the density functions of the normal distribution decreases or when the dispersion of random variables increases, the overlapping of relevant classes increases, which leads to an increase in the number of objects that the classifier can assign to one or another class. Approaching the probability of switching between the distribution functions of random variables to the extreme values of the unit interval leads to an increase in class imbalance, which is manifested in an increase in the number of elements of the input data set labeled with the label of the same class. It has been experimentally confirmed that the AUC ROC metric, popular in binary classification problems, is dependent on the degree of class overlap and relatively resistant to class imbalance.

On the contributions of Luis F. Rull and José Luis F. Abascal to the development of the school of statistical mechanics in Spain

A scientific biography serves as an introduction to a collection of papers honoring the significant contributions to the field of Statistical Mechanics by the late Luis Felipe Rull (1949-2022) and José Luis Fernandez Abascal (1952). Both dedicated their careers to the understanding of condensed matter systems, not only making substantial scientific contributions but also pioneering and expanding computer simulation methods in Spain. They were instrumental figures in the Spanish Statistical Mechanics School, which has flourished due to the efforts of a generation, including Luis and José Luis, who transformed Spanish science since 1975 and laid the foundation for our current achievements.

Mechanics of poly-arginine adsorption onto cell membrane by GM1 and their cluster forming: Coarse-grained molecular dynamics study

Ganglioside GM1 is a crucial glycolipid in neuronal cells, playing significant roles in various biological processes such as pathogen recognition, signal transduction, and protein sorting. Poly-arginine, widely used as a template for cell-penetrating peptides design, is highly valuable for molecular cargo delivery and information transmission. Investigating the interaction mechanisms and physicochemical principles of poly-arginine with GM1-containing cell membranes is essential for understanding the functions of specific cellular components and for developing novel drugs. In this study, we employed coarse-grained molecular dynamics simulations to explore the interaction processes between poly-arginine of varying concentrations and polymerization degrees with model membranes of human brain neuronal cells. Our findings reveal that poly-arginines preferentially adsorb onto GM1 and aggregate into clusters on the membrane, primarily driven by electrostatic interactions, which contributes to membrane stabilization. Additionally, poly-arginine shows a higher affinity for membranes with elevated GM1 concentrations, highlighting its potential for targeting specific membrane compositions. These insights are crucial for designing molecular targets and understanding the biophysical mechanisms in lipidomics using high-performance computational simulation methods.

Advancement in the thermoelectric performance of bulk SnSe: GGA+U approach for band gap calculation and strain induced thermal conductivity

The utilization of thermoelectric technology for harnessing electricity from waste heat has received considerable interest in recent years. Nevertheless, it is essential to develop high-performance thermoelectric materials that exhibit outstanding conversion efficiency to satisfy the world's energy needs. Density Functional Theory (DFT) techniques have gained wide spread recognition as computational simulation methods for determining electronic properties within materials science. The Boltzmann transport equation, used in conjunction with DFT, serves as a valuable tool for predicting the thermoelectric characteristics of various materials. In this investigation, we conducted a comprehensive analysis of the thermoelectric properties of SnSe using the Quantum Espresso software. Generalized gradient approximations were used as the exchange-correlation functional, which approximates the exchange and correlation energies between electrons in many-body problems. The investigation of core electrons employed ultrasoft pseudopotentials. Additionally, the Hubbard correction tool was applied for the final calculation of the band gap. The optimized structure used for the investigation of the thermoelectric properties of bulk SnSe was supported by the BoltzTraP code. Thermal conductivity studies were conducted using Slack's equation, which incorporates both elastic and lattice characteristics. The examination focused on assessing the impact of changes in lattice strain on lattice thermal conductivity. Notably, a significant alteration in the thermoelectric figure of merit was observed due to the applied lattice strain.

Computer simulation of the truck cabin tests to find ways to meet the requirements of the UNECE Regulation 29

BACKGROUND: Ensuring the required level of passive safety of trucks is a relevant task. To solve this problem, it is necessary to use computer simulation methods. AIM: Search for the ways to ensure the passive safety of trucks by choosing the appropriate cabin design. MATERIALS AND METHODS: During the study, the method of virtual simulation of the truck cabin tests was used in accordance with the requirements of the UNECE Regulation 29. RESULTS: A simulation model of a truck cabin has been developed, which makes it possible to conduct the computer simulation of the tests according to the UNECE Regulation 29. The main requirement of the UNECE Regulation 29 is retaining sufficient space in the cabin to accommodate the driver’s dummy inside it after its testing. As a part of the study, the properties of the material (steel) used for manufacturing of prototype cabins of the truck under development were determined, and the tested specimens were obtained by dissecting the prototype of the cabin, so the obtained results take into account the technological history of the material. The obtained data on the properties of the materials were used in the development of the simulation model of the cabin. The developed and used simulation model takes into account all the design features of the cabin under study, including the location and properties of welding points. Various options of cabin design changes and their impact on the ability to meet the requirements of the UNECE Regulations 29 are investigated. It has been found that it is not possible to fully comply with the requirements of the UNECE Regulation 29 only by increasing (within reasonable limits) the thickness of individual elements of the cabin frame and/or using high-strength steel for their manufacturing. Based on the analysis of the deformation of the prototype cabin frame during the Test C according to the UNECE Regulation 29 Revision 2, proposals for changes to the cabin design to meet the requirement of the UNECE Regulation 29 are formulated. CONCLUSION: The results of the study indicate the prospects of the proposed changes to the cabin design.

Multiple ligands simultaneous molecular docking and dynamics approach to study the synergetic inhibitory of curcumin analogs on ErbB4 tyrosine phosphorylation

Background and purpose: Lapatinib (FMM) and 5-fluorouracil (5-FU) are anticancer drugs employed in a combination approach. FMM inhibits tyrosine phosphorylation of ErbB4 while 5-FU inhibits cell proliferation. This research aimed to investigate the potential of two compounds, namely (1E,4E)-1,5-bis (4-hydroxyphenyl) penta-1,4-dien-3-one (AC01) and (1E,4E)-1,5-bis (3,4-dihydroxy phenyl) penta-1,4-dien-3-one (AC02), both as individual inhibitors and combination partners with FMM, targeting ErbB4 inhibition. AC01 and AC02 were combined with FMM, which targets ErbB4. The combination of 5-FU with FMM served as a reference in this study. Experimental approach: The research utilized computational simulation methods such as single and multiple ligands simultaneously docking and dynamics. Data analysis was performed using AutoDockTools and gmx_MMPBSA. Findings/Results: Single docking results indicated that 5-FU exhibited the lowest binding affinity, while FMM demonstrated the highest. Simultaneous docking of AC01 and AC02 paired with FMM revealed their binding positions overlapping with the FMM-5-FU workspace. The FMM-AC01 and FMM-AC02 complexes exhibited slightly weaker binding affinities compared to FMM-5-FU. In combination with FMM, AC01 and AC02 occupied the ErbB4 activation loop, whereas 5-FU was outside the activation loop. Furthermore, in their interaction with ErbB4, AC02 exhibited slightly stronger binding than AC01, as confirmed by the average binding free energy calculations from molecular dynamics simulations. Conclusion and implications: In conclusion, computational simulations indicated that both AC01 and AC02 have the potential to act as anticancer candidates, demonstrating ErbB4 inhibitory potential both as individual agents and in synergy with FMM.

Surface Wetting Behaviors of Hydroxyl-Terminated Polybutadiene: Molecular Mechanism and Modulation.

The surface wetting or coating of materials by polymers is crucial for designing functional interfaces and various industrial applications. However, the underlying mechanisms remain elusive. In this study, the wetting behavior of hydroxyl-terminated polybutadiene (HTPB) on a quartz surface was systematically investigated using computer simulation methods. A notable tip-dominant surface adsorption mode of HTPB was identified, where the hydroxyl group at the end of the polymer chain binds to the surface to initiate the wetting process. Moreover, it was found that with the increase in the degree of polymerization (e.g., from DP = 10 to 30), spontaneous adsorption of HTPB becomes increasingly difficult, with a three-fold increase in the adsorption time. These results suggest a competition mechanism between enthalpy (e.g., adhesion between the polymer and the surface) and entropy (e.g., conformational changes in polymer chains) that underlies the wetting behavior of HTPB. Based on this mechanism, two strategies were employed: altering the degree of polymerization of HTPB and/or regulating the amount of interfacial water molecules (e.g., above or below the threshold amount of 350 on a 10 × 10 nm2 surface). These strategies effectively modulate HTPB's surface wetting process. This study provides valuable insights into the mechanisms underlying the surface adsorption behavior of HTPB and offers guidance for manipulating polymer wetting processes at interfaces.

A Study on the Influence of Mobile Fans on the Smoke Spreading Characteristics of Tunnel Fires

Mobile fans, as flexible and convenient new longitudinal ventilation and smoke extraction equipment for tunnels, demonstrate more significant effectiveness in an emergency response to tunnel fires compared to traditional smoke extraction methods. This study employs computational fluid dynamics simulation methods, selecting two fire scenarios to investigate the effects of fan inclined angles and fan airflow volumes on the longitudinal temperature distribution and smoke back-layering length in tunnels. The results indicate that when using mobile fans for longitudinal ventilation in tunnels, at a lower fan airflow volume, the temperature distribution along the longitudinal axis is nearly symmetrical. The fire source and the fan installed in the upstream are within a certain range, and it is more effective to use the horizontal angle for longitudinal ventilation. As the fan airflow volume increases, the back-layering length significantly decreases (210,000 m3/h < V < 270,000 m3/h). However, as the fan flow volume continues to increase (270,000 m3/h < V < 300,000 m3/h), the reduction in the back-layering length becomes less pronounced, the smoke spread distance of the latter is only 11% of that of the former. Therefore, selecting appropriate fan airflow volumes and fan inclined angles them can effectively enhance the performance of tunnel smoke extraction systems. Moreover, by comparing with traditional fans, we find that mobile fans provide an alternative effective strategy during firefighting by allowing adjustments in distance from the fire source and fan inclination angles, enhancing fire suppression effectiveness while reducing energy losses. The research findings can serve as a reference for tunnel fire prevention design.

Widening the frequency bandgap and reducing thermal conductivity in phononic crystals by tuning structural parameters using a novel computational simulation method

This paper introduces and models a phononic structure based on single-crystal silicon, aiming to investigate the width of its frequency bandgap and the impact of key parameters on thermal conductivity. The modeled phononic crystal structure features a periodic arrangement of cylindrical holes in a silicon matrix. This research holds the potential to enhance thermal management performance of thermal metamaterials. Utilizing a 3D finite element method (FEM) model in COMSOL, we have computed phonon dispersion to estimate thermal conductivity. The study systematically has explored the influence of phononic crystal parameters—specifically, porosity, lattice constant, and thickness—along with their interactions on both thermal conductivity and frequency bandgap width.A comprehensive investigation of these parameters has been conducted for their optimization to achieve the maximum frequency bandgap width and minimum thermal conductivity using the response surface method model. Eigenfrequencies and wave vector parameters are extracted from the finite element model using a MATLAB script. Subsequently, thermal conductivity is calculated through the Callaway–Holland model, a simplification of the Boltzmann transport equation (BTE).Our results indicate that the frequency bandgap begins to form at approximately 43% porosity for a lattice constant and thickness of 100 nm each. Furthermore, adjusting the parameters led to a significant reduction in thermal conductivity, decreasing from 43.89 W m−1 K−1 to 0.39 W m−1 K−1. The novelty of our research lies in thermal conductivity control of phononic crystal metamaterials through their parameter variations, or a predictive method of thermal conductivity and its parameter sensitivity. This study advances the state of the art in phononic crystal metamaterial research, contributing to improved thermal management performance by enlarging frequency bandgaps.Overall, our findings deepen the understanding of how porosity, lattice constant, and thickness influence thermal conductivity and frequency bandgap width. They offer valuable insights into optimizing phononic crystal parameters, enhancing thermal management performance, and designing more efficient and effective phononic crystal structures.

A study on loading multiple epitopes with a single peptide.

Epitopes, the basic functional units of antigens, hold great significance in the field of immunology. However, the structure and composition of epitopes and their interactions with antibodies remain unclear, which limits in-depth studies on epitopes and the development of subunit vaccines. In a previous study on the localization of anti-influenza HA monoclonal antibodies (mAbs), three strains with different characteristics reacted with the same peptide. In this study, by conventional immunological assays, computer homology modeling, and molecular docking simulations, we found that (1) the peptide could bind to three strains of mAbs with different reaction characteristics utilizing different combinations of immunodominant groups. (2) By computer molecular docking and simulation methods, the immunodominant groups on the two peptides could be combined into a multi-epitope peptide bound to six strains of mAbs. We established a method for multi-epitope peptide recombination from these immunodominant groups. (3) The immune effect of the recombinant multi-epitope peptide was better than that of a single peptide. Our findings facilitate the understanding of the composition of antigen epitopes and provide a theoretical and experimental basis for developing polyvalent vaccines and understanding immune responses at the molecular level.

Numerical study on bifurcation characteristics of wind-induced vibration for an H-shaped section

In order to reveal the influence of initial excitation on the bifurcation phenomenon of bridge decks, a new perspective of flow characteristics is developed based on the computational fluid dynamics numerical simulation method. Then, the bifurcation mechanism of vortex-induced vibration (VIV) response and nonlinear flutter response of the H-shaped section is investigated. The results show that when the wind speed is 2 m/s, under a small torsional excitation of 0.5°, the flow field of the H-shaped section will develop into the vortex shedding mode of the vertical vibration, resulting in vertical VIV. However, while under a large excitation of 6°, the flow field will directly transform into the vortex shedding mode of the torsional vibration, resulting in torsional VIV. Therefore, the bifurcation phenomenon of the VIV response is observed. When the wind speed is 4 m/s, the H-shaped section exhibits a nonlinear flutter limit cycle oscillation under a large excitation of 8°, but its response can be ignored under a small excitation of 0.5°. This phenomenon is attributed to the significant change in the transition of the vortex shedding mode from a small amplitude to a stable large amplitude, and the flow field lacks enough energy to complete the transition of the vortex shedding mode, resulting in the bifurcation phenomenon of the nonlinear flutter response. When the wind speed is 3.0 m/s, the large excitation will change the vortex shedding frequency of the new H-shaped section, resulting in the torsional VIV.

Evaluation of different computational methods for numerical simulation of aerosol distribution in the operating room

In traditional operating rooms, controlling the concentration of aerosol particles has been necessary to ensure surgical safety. The COVID-19 pandemic has further emphasized the need for protecting medical staff in operating rooms, thereby increasing the focus on aerosol concentrations. Accurate simulation calculations of aerosol concentration and distribution play a crucial role in evaluating these concentrations and the associated risk of exposure. This study aims to assess the distribution of aerosols within an operating room by employing four different calculation methods and comparing them with experimental data. These methods included two turbulence models - Reynolds Averaged Navier Stokes (RANS) and Large Eddy Simulation (LES)-combined with two different aerosol transmission calculation models -Lagrangian and Eulerian. The findings indicate that the LES model yields a more accurate representation of the flow field, whereas no significant differences were observed among the four methods when it came to calculating aerosol concentrations. However, Eulerian-based methods exhibited superior continuity in the results. The errors of the four methods were greater than 50 % at Class II sampling locations and less than 50 % at Class III sampling locations. Consequently, this study serves as a scientific reference for selecting appropriate numerical simulation methods to predict aerosol concentration and distribution in operating rooms.

Street landscape environment design based on visual technology and entertainment robots: Computer simulation gamification landscape design

In recent years, with the development of social economy and the innovation of science and technology, the street landscape environment design based on visual technology and entertainment robot has been widely concerned. This paper aims to explore how to use computer simulation and gamification design methods to enhance the entertainment and attractiveness of street landscapes. In this paper, the basic principles of computer vision and V2X vehicle networking are deeply studied, and a series of simulation experiments and data analysis are carried out in combination with actual scenarios to verify the feasibility and effectiveness of V2X vehicle networking mode based on computer vision in urban street landscape design. V2X vehicle networking mode through real-time information exchange with road infrastructure, other vehicles, pedestrians, etc., can obtain a large number of urban streetscape design related data. Studies have shown that this design approach can increase people’s interest and engagement in street landscapes, and increase the entertainment experience and sense of interaction of urban residents.

Energy performance and pressure fluctuation in multi-stage centrifugal pump with floating impellers under various axial oscillation frequencies

A novel multi-stage centrifugal pump with floating impellers is gaining traction in energy systems because it easily links stages in series for varying high head requirements. However, the axial oscillation frequency of the floating impeller introduces uncertainties in the pump's energy performance and pressure fluctuation. To address these issues, a comprehensive analysis of multi-stage centrifugal pumps was conducted, utilizing a computational fluid dynamics simulation method that incorporats dynamic mesh and multiple reference frame techniques, validated through three experimental trials. The findings show that average head coefficient and average efficiency are not significantly affected by the axial oscillation of impeller, but that pressure fluctuations, efficiency, and head coefficient all show periodic variations that are connected to the frequency of impeller oscillation. The amplitude of variations in the head coefficient and efficiency could increase by as much as 112.3 % and 172.4 %, respectively, under the influence of impeller oscillations, thereby heightening the instability of pump operation. Trigonometric functions for the energy performance during impeller oscillations are proposed to facilitate rapid assessment of pump stability. This study offers valuable insights into the unsteady characteristics of novel multi-stage centrifugal pumps and serves as a reference for further understanding their dynamic behavior.

Lindemann ratio for classical and quantum crystals

Based on the delocalized of melting criterion, a relatively simple analytical (i.e., without computer simulation) method for calculating the Lindemann ratio is proposed. It is shown that for classical single-component solids (in which the melting point (Tm) is greater than the Debye temperature (Θ): Tm/Θ > 1.5), the Lindemann ratio is determined only by the packing coefficient of the structure. Calculations for various structures of classical solids (both crystalline and amorphous) showed good agreement with the estimates of other authors. For quantum single-component crystals (in which Tm/Θ < 0.4), the Lindemann ratio is determined not only by the crystal structure, but also by the Θ/Tm function. Therefore, when passing from the classical to the quantum area, the Tm(Θ) function changes its functional dependence. It was shown that for quantum crystals, the Lindemann ratio decreases with increasing pressure along the melting line. For quantum nanocrystals, the Lindemann ratio increases with an isobaric decrease in a nanocrystal size. At this, the more noticeably the shape of the nanocrystal deviates from the energy-optimal shape, the greater the sized increase in the Lindemann ratio. Therefore, the use of the Lindemann criterion to study the melting of quantum crystals (as they tried to when studying the melting of atomic metallic hydrogen) showed incorrect results.

Advanced Computational Methods for Modeling, Prediction and Optimization-A Review.

This paper provides a comprehensive review of recent advancements in computational methods for modeling, simulation, and optimization of complex systems in materials engineering, mechanical engineering, and energy systems. We identified key trends and highlighted the integration of artificial intelligence (AI) with traditional computational methods. Some of the cited works were previously published within the topic: "Computational Methods: Modeling, Simulations, and Optimization of Complex Systems"; thus, this article compiles the latest reports from this field. The work presents various contemporary applications of advanced computational algorithms, including AI methods. It also introduces proposals for novel strategies in materials production and optimization methods within the energy systems domain. It is essential to optimize the properties of materials used in energy. Our findings demonstrate significant improvements in accuracy and efficiency, offering valuable insights for researchers and practitioners. This review contributes to the field by synthesizing state-of-the-art developments and suggesting directions for future research, underscoring the critical role of these methods in advancing engineering and technological solutions.

Spatial organization of the ions at the free surface of imidazolium-based ionic liquids

HypothesisExperimental information on the molecular scale structure of ionic liquid interfaces is controversial, giving rise to two competing scenarios, namely the double layer-like and “chessboard”-like structures. This issue can be resolved by computer simulation methods, at least for the underlying molecular model. Systematically changing the anion type can elucidate the relative roles of electrostatic interactions, hydrophobic (or, strictly speaking, apolar) effects and steric restrictions on the interfacial properties. SimulationsMolecular dynamics simulation is combined with intrinsic analysis methods both at the molecular and atomic levels, supplemented by Voronoi analysis of self-association. FindingsWe see no evidence for the existence of a double-layer-type arrangement of the ions, or for their self-association at the surface of the liquid. Instead, our results show that cation chains associate into apolar domains that protrude into the vapour phase, while charged groups form domains that are embedded in this apolar environment at the surface. However, the apolar chains largely obscure the cation groups, to which they are bound, while the smaller and more mobile anions can more easily access the free surface, leading to a somewhat counterintuitive net excess of negative charge at the interface. Importantly, this excess charge could only be identified by applying intrinsic analysis.

Heat transfer simulation for re-design of tray dryer to reduce the energy consumption in the cocoa bean drying process

Abstract The tray dryer for the cocoa bean drying process is a solution to overcome conventional drying methods that rely on solar heat. The tray dryer is expected to facilitate the cocoa farmers to dry cocoa beans because it is faster and does not depend on weather conditions. However, even though the current condition of the tray dryer can reduce the energy consumption of drying cocoa beans (from Gunung Kidul, Yogyakarta, Indonesia) compared to the solar heat method, it remains unknown whether the cocoa beans drying quality is good enough. Therefore, this research analyzed the heat transfer phenomena of the cocoa drying process using the computational simulation method to re-design the current tray dryer design so that the new design can fit the drying characteristic of the cocoa bean and reduce energy consumption. As a result, for the air velocity of 25.91 m/s and the ½ opening of the gas valve in 10 minutes, which is already at steady-state conditions, the temperature distribution in the existing tray dryer is not suitable with the characteristics of the cocoa beans drying process. The temperature can be increased by reducing the airflow velocity or increasing the heating value by opening the valve. However, with a new design, the temperature can be increased by up to 37.00% at a velocity of 25.91 m/s with a ½ gas valve opening. Furthermore, the new design can achieve the same conditions as the existing design by only using an opening for a 1/8 gas valve. Thus, using the new design, the tray dryer can achieve the drying characteristics of cocoa beans and reduce energy consumption.