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60 articles for “computational theory”
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Crystal Defects and Their Characterization in Modern Materials Science
Abstract: The physical and chemical properties of crystalline solids are fundamentally dictated by deviations from structural perfection, known as crystal defects. From the point-scale vacancies that drive diffusion to the planar boundaries that determine mechanical strength, defects serve as the primary "tuning knobs" in material design. This review provides a comprehensive examination of point, line, and planar defects, exploring their formation energetics and their role in plastic deformation via crystallographic slip. …
Published in International Journal of Crystalline Materials · Vol. 3, Issue 1, 2026 · pp. 15–19 Read article
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Advancements in Data Structures: Bridging the Gap Between Theory and Real-world Applications
Abstract: In the rapidly advancing landscape of computer science, this study unfolds a comprehensive exploration of Data Structures, spanning from foundational principles to cutting-edge innovations. Data structures form the backbone of computational processes, and this study aims to dissect and illuminate their pivotal role. Beginning with fundamental concepts such as Arrays, Linked Lists, Stacks, and Queues, the narrative progresses to intricate structures like Trees, Graphs, and Hash Tables. Practical applications in …
Published in International Journal of Data Structure Studies · Vol. 2, Issue 1, 2024 · pp. 14–20 Read article
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Inverse Model for Predicting Thermal Abnormality of the Transient Process Triggered by Defective Electronics Element
Abstract: The paper presents a model for predicting thermal abnormalities in Printed Circuit Boards (PCBs) by approximating the thermal process of electric elements with heating from point sources. Circuit board heat sources are defined as point and non-point. The point heat source is a small electronic heating element that can be approximated as having originated from one point on the circuit board. A non-point source is one with heat distributed over …
Published in International Journal of Energy and Thermal Applications · Vol. 3, Issue 2, 2025 · pp. 24–31 Read article
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Leak Location Detection in Underground Pipeline Using Transient Pollutant Propagation Concentration Signature Analysis with Theory of Hypernumbers
Abstract: The paper introduces a new analytical method of detecting leakage locations in underground pipe systems. For the first time, the phenomenon of pollutant backflush through leaks in liquid transport systems is used for algorithmic leak location identification. The paper compares the proposed concept with known monitoring methods. The theoretical analysis of the method's capability to increase leak localization distance and detect the location of tiny holes in pipelines is provided. …
Published in Research & Reviews: Discrete Mathematical Structures · Vol. 12, Issue 1, 2025 · pp. 13–22 Read article
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Framework-Based Optimization of Catalysis Efficiency through Reaction Pathway Engineering
Abstract: The rational design of heterogeneous catalysts through framework-based approaches has emerged as a transformative strategy for controlling reaction pathways and enhancing catalytic efficiency. This paper examines recent advances in the optimization of catalytic performance through engineered frameworks, including metal-organic frameworks (MOFs), zeolites, and related porous materials. By integrating computational methods with experimental validation, researchers have achieved unprecedented control overactive site architecture, reactant confinement, and elementary reaction steps. This work reviews …
Published in Emerging Trends in Chemical Engineering · Vol. 13, Issue 2, 2026 · pp. 88–99 Read article
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Study of Proximity Points and Fixed Points
Abstract: This paper explores the concepts of proximity points and fixed points, which are fundamental in mathematical analysis and nonlinear functional analysis. Fixed-point theorems play a crucial role in optimization, game theory, differential equations, and dynamic systems. Proximity points, an extension of fixed points, provide a more generalized approach, allowing near-coincidence rather than exact identity. The study discusses classical fixed-point theorems, such as Banach’s contraction principle, Brouwer’s fixed-point theorem, and Schauder’s …
Published in Recent Trends in Mathematics · Vol. 1, Issue 2, 2024 · pp. 28–31 Read article
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Computational Studies on PVDF-HFP/Li-salt Composite Electrolyte for Lithium-ion Batteries
Abstract: Density Functional Theory (DFT) is very useful method to study the geometrical, electronic, and other important properties of molecules. Parameters and required data of Poly(vinylidene fluoride-co- hexachloropropylene) (PVDF-HFP), lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and polymer electrolyte (PVDF-HFP + LiTFSI) are calculated with the B3LYP functional and 6-31+G(d,p) and 6- 31++G(d,p) basis sets using Gaussian03. The optimized geometry, total energy, ionization potential, electron affinity, energy gap, and electronegativity were calculated. In result, the …
Published in Journal of Nanoscience, NanoEngineering & Applications Read article
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Currents, Waves, and Whirls: An Academic Exploration of Fluid Mechanics
Abstract: Fluid mechanics investigates the behavior of liquids and gases in motion and at rest, revealing the principles that control natural occurrences and engineering systems alike. This article gives an easy review of essential concepts such as fluid characteristics, pressure, flow patterns, and the contrast between laminar and turbulent flow. It explores how fundamental rules, including conservation of mass and energy, impact the transport of fluids across varied settings. Through real-world …
Published in Recent Trends in Fluid Mechanics · Vol. 13, Issue 1, 2026 · pp. 8–13 Read article
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Overview of Ionic Polarization: A Model Based Novel Approach
Abstract: This study presents a comprehensive analysis of ionic polarization through a novel model-based approach that integrates theoretical, computational, and experimental methodologies. Ionic polarization, which significantly influences the dielectric properties of materials, is examined through the lens of the Clausius-Mossotti equation and the Debye relaxation model, providing a theoretical framework for understanding the relationship between ionic displacement and dielectric behavior. To explore ionic displacement and polarization at the atomic level, advanced …
Published in International Journal of Cheminformatics · Vol. 2, Issue 2, 2024 · pp. 18–25 Read article
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Human Skin Abnormality Detection with Process Similarity Criteria Fit Machine Learning Method
Abstract: This method presents a machine learning method that satisfies the defined conditions for healthy waterside beach activities. The boundary conditions of the normal and abnormal radiation spaces were formulated. The objectives of using a Regression Polynomial with Process Similarity Criteria Fit for skin temperature prediction are justified by the analysis of the existing analytical and machine learning approaches. An algorithm for skin temperature prediction using the theories of similarity criteria …
Published in Research & Reviews: Discrete Mathematical Structures · Vol. 11, Issue 2, 2024 · pp. 17–24 Read article
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Topology and Geometry in Data Science: Persistent Homology and Beyond
Abstract: In recent years, the interplay between topology, geometry, and data science has gained substantial momentum, offering powerful frameworks to analyze and interpret complex datasets. Traditional statistical and machine learning methods often rely on linear or metric- based assumptions, which may fail to capture the intrinsic structure of high-dimensional or nonlinear data. In contrast, topological and geometric methods provide shape-oriented, scale- invariant tools that focus on the continuity, connectivity, and global …
Published in Recent Trends in Mathematics · Vol. 1, Issue 2, 2024 · pp. 21–27 Read article
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The Role of Optimization and Probability in Shaping Artificial Intelligence
Abstract: This study discusses the basic roles of optimization algorithms and the theory of probability in the process of evolution and development of Artificial intelligence (AI). First, we introduce the role played by the next generation of leading-edge optimization algorithms developed since gradient descent to evolutionary strategies with respect to the learning of high-level AI models and how to enable them to learn to effectively explore high-dimensional parameter spaces. At the …
Published in Journal of Computer Technology & Applications · Vol. 16, Issue 2, 2025 · pp. 123–128 Read article
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Designing Self-Optimizing Operating Systems: Information-Theoretic Approaches to Thread Scheduler Implementation
Abstract: Thread Level Scheduling (TLS) in multi-core and many-core processor environments represents a critical frontier in next-generation operating system design. As computing systems grow increasingly heterogeneous and concurrent, traditional scheduling strategies often rely on heuristics or localized resource metrics, frequently overlooking the deeper, quantifiable relationships and uncertainties inherent in complex concurrent workloads. This study explores the application of information-theoretic approaches, specifically entropy-based task allocation, mutual information-driven dependency analysis, and channel capacity-inspired …
Published in Journal of Operating Systems Development & Trends · Vol. 12, Issue 3, 2025 · pp. 31–39 Read article
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A Hybrid Algorithm for Processor Scheduling Using Game Theory Variants
Abstract: This study proposes a novel hybrid algorithm for processor scheduling in modern operating systems, integrating the strengths of traditional scheduling methods with game theory variants. Traditional schedulers often struggle to adapt to dynamic workload changes, leading to suboptimal performance. Our hybrid approach addresses this by treating processes as "players" in a game, where the "payoff" is CPU time. A base scheduler (e.g., Weighted Fair Queuing, Earliest Deadline First) provides a …
Published in Journal of Operating Systems Development & Trends · Vol. 12, Issue 1, 2025 · pp. 48–56 Read article
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Modern Physics Approaches to Light-Matter Interaction
Abstract: Light-matter interaction is crucial to numerous fundamental and applied phenomena in contemporary physics, encompassing quantum optics and materials science. This study examines modern methods for comprehending and controlling the interaction between electromagnetic radiation and matter, focusing on both theoretical frameworks and experimental progress. The interaction between light and matter is a fundamental aspect of contemporary physics, forming the basis for phenomena that include the essential principles of vision and photosynthesis, …
Published in Research & Reviews : Journal of Physics · Vol. 14, Issue 3, 2025 · pp. 10–19 Read article
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Complex Space-Time and the Structure of Relativistic Quantum Theory
Abstract: Relativistic quantum mechanics was developed to reconcile the principles of quantum mechanics with Einstein’s theory of relativity. Despite its success in describing high-energy particles, the theory continues to face unresolved conceptual and mathematical difficulties, particularly in relation to the nature of time, causality, and relativistic consistency. In recent years, the idea of extending space-time into the complex domain has emerged as a useful and potentially meaningful approach to these problems. …
Published in Recent Trends in Mathematics · Vol. 3, Issue 1, 2026 · pp. 22–27 Read article
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The Evolution and Impact of Numbers: From Ancient Tallies to Quantum Computing: Review Article on Numbers
Abstract: Numbers are among the most fundamental constructs in human civilization, serving as the backbone of mathematics, science, technology, and virtually every aspect of daily life. They represent not only quantities and measures but also relationships, structures, and patterns that underpin the fabric of human understanding. From the earliest tallies etched on bones by prehistoric humans to the sophisticated numerical systems embedded in today’s artificial intelligence and quantum computing, the evolution …
Published in Research & Reviews: Discrete Mathematical Structures · Vol. 12, Issue 3, 2025 · pp. 15–19 Read article
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Crystal Engineering Strategies for Tailoring Mechanical Properties of Structural Materials
Abstract: Crystal engineering has emerged as a promising approach for designing materials with tailored mechanical properties, enabling advancements in various fields such as aerospace, automotive, and construction. This review examines the diverse strategies employed in crystal engineering to manipulate the mechanical behavior of structural materials. One key strategy involves controlling the crystal structure at the atomic level through techniques such as alloying, doping, and phase transformations. Alloying introduces foreign atoms into …
Published in International Journal of Crystalline Materials · Vol. 1, Issue 1, 2024 · pp. 01–06 Read article
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Analyzing Thermal Expansion in Polymer Composites Through Heat Transfer Simulations
Abstract: Although lightweight and strong, polymer composites require careful handling in environments where temperatures shift. Their usefulness in fields like aviation, vehicle manufacturing, and electronic devices comes from customizable heat behavior alongside favorable mechanical traits. Yet variation in size due to heating or cooling remains a concern hard to dismiss. As conditions change, expansion occurs - sometimes enough to disrupt fit, alignment, or function within complex systems. This response to warmth …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article
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Machine Learning for Finding Materials for Membranes
Abstract: Traditionally, finding and improving membrane materials has depended on trial-and-error experiments, which can take a long time, cost a lot of money, and only cover a small area. Recent improvements in machine learning (ML) have the potential to change the way membrane materials are designed by making it possible to make predictions about performance, selectivity, and stability based on data. ML algorithms can find hidden links between the structure, composition, …
Published in International Journal of Membranes · Vol. 3, Issue 1, 2026 · pp. 1–7 Read article