Hasil untuk "Thermodynamics"

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DOAJ Open Access 2025
A Blind Few-Shot Learning for Multimodal-Biological Signals with Fractal Dimension Estimation

Nadeem Ullah, Seung Gu Kim, Jung Soo Kim et al.

Improving the decoding accuracy of biological signals has been a research focus for decades to advance health, automation, and robotic industries. However, challenges like inter-subject variability, data scarcity, and multifunctional variability cause low decoding accuracy, thus hindering the practical deployment of biological signal paradigms. This paper proposes a multifunctional biological signals network (Multi-BioSig-Net) that addresses the aforementioned issues by devising a novel blind few-shot learning (FSL) technique to quickly adapt to multiple target domains without needing a pre-trained model. Specifically, our proposed multimodal similarity extractor (MMSE) and self-multiple domain adaptation (SMDA) modules address data scarcity and inter-subject variability issues by exploiting and enhancing the similarity between multimodal samples and quickly adapting the target domains by adaptively adjusting the parameters’ weights and position, respectively. For multifunctional learning, we proposed inter-function discriminator (IFD) that discriminates the classes by extracting inter-class common features and then subtracts them from both classes to avoid false prediction of the proposed model due to overfitting on the common features. Furthermore, we proposed a holistic-local fusion (HLF) module that exploits contextual-detailed features to adapt the scale-varying features across multiple functions. In addition, fractal dimension estimation (FDE) was employed for the classification of left-hand motor imagery (LMI) and right-hand motor imagery (RMI), confirming that proposed method can effectively extract the discriminative features for this task. The effectiveness of our proposed algorithm was assessed quantitatively and statistically against competent state-of-the-art (SOTA) algorithms utilizing three public datasets, demonstrating that our proposed algorithm outperformed SOTA algorithms.

Thermodynamics, Mathematics
DOAJ Open Access 2025
Vacuum Brazing of 6061 Aluminum Using Al-Si-Ge Filler Metals with Different Si Contents

Sen Huang, Jiguo Shan, Jian Qin et al.

Al-xSi-35Ge (x = 4, 6, 8, 10, 12, wt.%) filler metals were prepared to vacuum braze 6061 aluminum alloy. The wettability of filler metals was studied. A thermodynamics model of the Al-Si-Ge ternary alloy was established to analyze the mechanism and impact of Si in the microstructure of the brazed joint. The findings indicated that Si addition had a slight effect on the melting point of Al-xSi-35Ge filler metals. Great molten temperature region of fillers was responsible for the loss of Ge during the wetting process, making residual filler metal difficult to melt. The microstructure of the joint was characterized by a multilayer structure that was primarily composed of three zones: two transition regions (Zone I) and a filler residual region (Zone II). There was liquidation of filler metal for Al-Si-35Ge filler metals during brazing, resulting in holes and cracks in joints. Increasing the Si content in fillers could alleviate the liquidation of filler metal, owing to diminishing difference of chemical potential of Ge (μ<sub>Ge</sub>) in fillers and 6061 substrates, hindering the diffusion of Ge from filler metal to substrates.

Mining engineering. Metallurgy
DOAJ Open Access 2024
Novel Fractional Order Differential and Integral Models for Wind Turbine Power–Velocity Characteristics

Ahmed G. Mahmoud, Mohamed A. El-Beltagy, Ahmed M. Zobaa

This work presents an improved modelling approach for wind turbine power curves (WTPCs) using fractional differential equations (FDE). Nine novel FDE-based models are presented for mathematically modelling commercial wind turbine modules’ power–velocity (P-V) characteristics. These models utilize Weibull and Gamma probability density functions to estimate the capacity factor (<i>CF</i>), where accuracy is measured using relative error (<i>RE</i>). Comparative analysis is performed for the WTPC mathematical models with a varying order of differentiation (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>α</mi></mrow></semantics></math></inline-formula>) from 0.5 to 1.5, utilizing the manufacturer data for 36 wind turbines with capacities ranging from 150 to 3400 kW. The shortcomings of conventional mathematical models in various meteorological scenarios can be overcome by applying the Riemann–Liouville fractional integral instead of the classical integer-order integrals. By altering the sequence of differentiation and comparing accuracy, the suggested model uses fractional derivatives to increase flexibility. By contrasting the model output with actual data obtained from the wind turbine datasheet and the historical data of a specific location, the models are validated. Their accuracy is assessed using the correlation coefficient (<i>R</i>) and the Mean Absolute Percentage Error (<i>MAPE</i>). The results demonstrate that the exponential model at <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>α</mi><mo>=</mo><mn>0.9</mn></mrow></semantics></math></inline-formula> gives the best accuracy of WTPCs, while the original linear model was the least accurate.

Thermodynamics, Mathematics
DOAJ Open Access 2024
Structure and tunable temperature coefficient of magnetization of Mn4-xGaxC alloys prepared by induction melting method

Yinghua Liang, Tingting Qi, Baochao Zhang et al.

The magnetization of most magnetic materials decreases monotonically with increasing temperature. In this work, we found that the temperature coefficient of magnetization of Mn _4- _x Ga _x C alloys can be tuned from negative values to positive values by controlling the composition x . The antiperovskite-type Mn _4- _x Ga _x C (0.05≤ x ≤0.75) alloys were prepared by using induction melting method, which is more efficient in large-scale production and obtaining full-density alloys in comparison with the traditional solid-state-reaction method. The values of the temperature coefficient of magnetization of Mn _4- _x Ga _x C change continuously from negative to positive with decreasing x . The Mn _4- _x Ga _x C alloys with highly thermal-stable magnetization is expected to present in the composition range of 0.15< x <0.25. The saturation magnetization of Mn _4- _x Ga _x C increases with increasing x , owing to the reduced number of antiferromagnetically coupled Mn atoms at the cubic corner with the face-centered Mn atoms. Most Mn _4- _x Ga _x C alloys with varying x display near-zero remanent magnetization and coercivity at room temperature. The Currie temperature of Mn _4- _x Ga _x C decreases with increasing x . The x-ray photoelectron spectra of Mn 2p, Ga 2p, and C 1 s reveal distinct splitting due to the diverse chemical states of these atoms at different lattice positions and/or phases. Our work has developed a class of alloys capable of offering a desired temperature coefficient of magnetization across a broad temperature range, thereby offering a method to manipulate the thermodynamics of magnetization.

Materials of engineering and construction. Mechanics of materials, Chemical technology
DOAJ Open Access 2024
Investigating Heat Transfer in Whole-Body Cryotherapy: A 3D Thermodynamic Modeling Approach with Participant Variability

Rim Elfahem, Bastien Bouchet, Boussad Abbes et al.

Whole-body cryotherapy (WBC) is a therapeutic practice involving brief exposure to extreme cold, typically lasting one to four minutes. Given that WBC sessions often occur in groups, there is a hypothesis that cumulative heat dissipation from the group significantly affects the thermo-aerodynamic conditions of the cryotherapy chamber. Computational fluid dynamics (CFD) is employed to investigate thermal exchanges between three subjects (one man, two women) and a cryotherapy chamber at −92 °C during a 3-minute session. The investigation reveals that collective body heat loss significantly influences temperature fields within the cabin, causing global modifications in aerodynamic and thermal conditions. For example, a temperature difference of 6.7 °C was calculated between the average temperature in a cryotherapy chamber with a single subject and that with three subjects. A notable finding is that, under an identical protocol, the thermal response varies among individuals based on their position in the chamber. The aerodynamic and thermal characteristics of the cryotherapy chamber impact the heat released at the body’s surface and the skin-cooling rate needed to achieve recommended analgesic thresholds. This study highlights the complexity of physiological responses in WBC and emphasizes the importance of considering individual positions within the chamber for optimizing therapeutic benefits.

Thermodynamics, Descriptive and experimental mechanics
DOAJ Open Access 2023
Comprehensive Thermodynamic Study of Alkyl-Cyclohexanes as Liquid Organic Hydrogen Carriers Motifs

Sergey P. Verevkin, Artemiy A. Samarov, Sergey V. Vostrikov et al.

Alkyl-cyclohexanes can be considered as suitable model compounds to understand the thermochemistry of aromatic compounds and their hydrogenated counterparts discussed as Liquid Organic Hydrogen Carrier systems. Thermochemical measurements on these hydrogen-rich compounds are thwarted by complications due to the 99.9 % purity limitation and sample size specific to these methods. However, the data on vaporisation and formation enthalpies are necessary to optimize the hydrogenation/dehydrogenation processes. In this work, various empirical and theoretical methods are described to reliably assess the gas phase enthalpies of formation and vaporization enthalpies of alkyl-substituted cyclohexanes. The empirical and quantum-chemical methods have been validated against reliable literature data and provide reasonable estimates with an accuracy comparable to that of the experimental data. The liquid phase enthalpies of formation of differently shaped alkyl-cyclohexanes were derived and used to estimate the energetics of their dehydrogenation reactions. The influence of alkyl substituents on the reaction enthalpy is discussed. The vapour pressures of typical hydrogen-rich compounds at technically relevant temperatures were calculated and compared to vapour pressures of biodiesel fuels measured in this work using the static method.

Science (General)
DOAJ Open Access 2022
Variable Step Hybrid Block Method for the Approximation of Kepler Problem

Joshua Sunday, Ali Shokri, Daniela Marian

In this article, a variable step size strategy is adopted in formulating a new variable step hybrid block method (VSHBM) for the solution of the Kepler problem, which is known to be a rigid and stiff differential equation. To derive the VSHBM, the step size ratio r is left the same, halved, or doubled in order to optimize the total number of steps, minimize the number of formulae stored in the code, and ensure that the method is zero-stable. The method is formulated by integrating the Lagrange polynomial with limits of integration selected at special points. The article further analyzed the stability, order, consistency, and convergence properties of the VSHBM. The stability regions of the VSHBM at different values of the step size ratios were also plotted and plots showed that the method is fit for solving the Kepler problem. The results generated were then compared with some existing methods, including the MATLAB inbuilt stiff solver (ode 15 s), with respect to total number of failure steps, total number of steps, total function calls, maximum error, and computation time.

Thermodynamics, Mathematics
DOAJ Open Access 2021
Spatially homogeneous black hole solutions in $$z=4$$ z = 4 Hořava–Lifshitz gravity in $$(4+1)$$ ( 4 + 1 ) dimensions with Nil geometry and $$H^2\times R$$ H 2 × R horizons

F. Naderi, A. Rezaei-Aghdam, Z. Mahvelati-Shamsabadi

Abstract In this paper, we present two new families of spatially homogeneous black hole solution for $$z=4$$ z = 4 Hořava–Lifshitz Gravity equations in $$(4+1)$$ ( 4 + 1 ) dimensions with general coupling constant $$\lambda $$ λ and the especial case $$\lambda =1$$ λ = 1 , considering $$\beta =-1/3$$ β = - 1 / 3 . The three-dimensional horizons are considered to have Bianchi types II and III symmetries, and hence the horizons are modeled on two types of Thurston 3-geometries, namely the Nil geometry and $$H^2\times R$$ H 2 × R . Being foliated by compact 3-manifolds, the horizons are neither spherical, hyperbolic, nor toroidal, and therefore are not of the previously studied topological black hole solutions in Hořava–Lifshitz gravity. Using the Hamiltonian formalism, we establish the conventional thermodynamics of the solutions defining the mass and entropy of the black hole solutions for several classes of solutions. It turned out that for both horizon geometries the area term in the entropy receives two non-logarithmic negative corrections proportional to Hořava–Lifshitz parameters. Also, we show that choosing some proper set of parameters the solutions can exhibit locally stable or unstable behavior.

Astrophysics, Nuclear and particle physics. Atomic energy. Radioactivity
DOAJ Open Access 2021
Nanotechnology-enhanced immunotherapy for metastatic cancer

Peisen Zhang, Junli Meng, Yingying Li et al.

A vast majority of cancer deaths occur as a result of metastasis. Unfortunately, effective treatments for metastases are currently lacking due to the difficulty of selectively targeting these small, delocalized tumors distributed across a variety of organs. However, nanotechnology holds tremendous promise for improving immunotherapeutic outcomes in patients with metastatic cancer. In contrast to conventional cancer immunotherapies, rationally designed nanomaterials can trigger specific tumoricidal effects, thereby improving immune cell access to major sites of metastasis such as bone, lungs, and lymph nodes, optimizing antigen presentation, and inducing a persistent immune response. This paper reviews the cutting-edge trends in nano-immunoengineering for metastatic cancers with an emphasis on different nano-immunotherapeutic strategies. Specifically, it discusses directly reversing the immunological status of the primary tumor, harnessing the potential of peripheral immune cells, preventing the formation of a pre-metastatic niche, and inhibiting the tumor recurrence through postoperative immunotherapy. Finally, we describe the challenges facing the integration of nanoscale immunomodulators and provide a forward-looking perspective on the innovative nanotechnology-based tools that may ultimately prove effective at eradicating metastatic diseases. Public summary: • The state of the art for nanotechnology-enabled cancer immunotherapy and the emerging concepts in nano-based immunomodulation are summarized • The cutting-edge trends in nano-immunoengineering for metastatic cancers with an emphasis on different nano-immunotherapeutic strategies are highlighted • Benefits, challenges, and opportunities of nanoscale immunomodulators and a forward-looking perspective on the innovative nanotechnology-based tools that may ultimately prove effective at eradicating metastatic diseases are presented

Science (General)
DOAJ Open Access 2021
Structure, Fractality, Mechanics and Durability of Calcium Silicate Hydrates

Shengwen Tang, Yang Wang, Zhicheng Geng et al.

Cement-based materials are widely utilized in infrastructure. The main product of hydrated products of cement-based materials is calcium silicate hydrate (C-S-H) gels that are considered as the binding phase of cement paste. C-S-H gels in Portland cement paste account for 60–70% of hydrated products by volume, which has profound influence on the mechanical properties and durability of cement-based materials. The preparation method of C-S-H gels has been well documented, but the quality of the prepared C-S-H affects experimental results; therefore, this review studies the preparation method of C-S-H under different conditions and materials. The progress related to C-S-H microstructure is explored from the theoretical and computational point of view. The fractality of C-S-H is discussed. An evaluation of the mechanical properties of C-S-H has also been included in this review. Finally, there is a discussion of the durability of C-S-H, with special reference to the carbonization and chloride/sulfate attacks.

Thermodynamics, Mathematics
DOAJ Open Access 2021
Existence of Solutions to a Class of Nonlinear Arbitrary Order Differential Equations Subject to Integral Boundary Conditions

Ananta Thakur, Javid Ali, Rosana Rodríguez-López

We investigate the existence of positive solutions for a class of fractional differential equations of arbitrary order <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>δ</mi><mo>></mo><mn>2</mn></mrow></semantics></math></inline-formula>, subject to boundary conditions that include an integral operator of the fractional type. The consideration of this type of boundary conditions allows us to consider heterogeneity on the dependence specified by the restriction added to the equation as a relevant issue for applications. An existence result is obtained for the sublinear and superlinear case by using the Guo–Krasnosel’skii fixed point theorem through the definition of adequate conical shells that allow us to localize the solution. As additional tools in our procedure, we obtain the explicit expression of Green’s function associated to an auxiliary linear fractional boundary value problem, and we study some of its properties, such as the sign and some useful upper and lower estimates. Finally, an example is given to illustrate the results.

Thermodynamics, Mathematics
DOAJ Open Access 2020
Multi-Scale Localized Perturbation Method in OpenFOAM

Erik Higgins, Jonathan Pitt, Eric Paterson

A modified set of governing differential equations for geophysical fluid flows is derived. All of the simulation fields are decomposed into a nominal large-scale background state and a small-scale perturbation from this background, and the new system is closed by the assumption that the perturbation is one-way coupled to the background. The decomposition method, termed the multi-scale localized perturbation method (MSLPM), is then applied to the governing equations of stratified fluid flows, implemented in OpenFOAM, and exercised in order to simulate the interaction of a vertically-varying background shear flow with an axisymmetric perturbation in a turbulent ocean environment. The results demonstrate that the MSLPM can be useful in visualizing the evolution of a perturbation within a complex background while retaining the complex physics that are associated with the original governing equations. The simulation setup may also be simplified under the MSLPM framework. Further applications of the MSLPM, especially to multi-scale simulations that encompass a large range of spatial and temporal scales, may be beneficial for researchers.

Thermodynamics, Descriptive and experimental mechanics
DOAJ Open Access 2020
Erosion Mechanism of a Cavitating Jet on Groove Roughness

Nobuyuki Fujisawa, Takayuki Yamagata, Ryotaro Seki et al.

The erosion behavior of a cavitating jet on groove roughness was investigated experimentally using mass-loss characteristics, scanning electron microscopy (SEM) observation, time-resolved shadowgraph, and schlieren flow visualizations. The wall morphology of the cavitating-jet erosion on the groove roughness indicated an increased mass loss, which was highly increased along the groove rather than across the groove. Furthermore, increased erosion pits were observed on the groove bottom along the grooves. The shadowgraph imaging of the cavitating jet on the rough wall showed noncircular cavitation bubble distributions along and across the grooves, which corresponds to the increased number of cavitation bubbles along the grooves and the decreased number of bubbles across the grooves. This result is consistent with the erosion morphology of the groove roughness. Schlieren imaging indicated that the frequency and intensity fluctuation of the shockwave formation did not change significantly on the groove roughness along and across the grooves. The findings in the study show that the increased erosion mechanism on groove roughness is caused by the increased number of impulsive forces and the shockwave focusing effect on the groove bottom.

Thermodynamics, Descriptive and experimental mechanics
DOAJ Open Access 2019
The Poincaré-Shannon Machine: Statistical Physics and Machine Learning Aspects of Information Cohomology

Pierre Baudot

Previous works established that entropy is characterized uniquely as the first cohomology class in a topos and described some of its applications to the unsupervised classification of gene expression modules or cell types. These studies raised important questions regarding the statistical meaning of the resulting cohomology of information and its interpretation or consequences with respect to usual data analysis and statistical physics. This paper aims to present the computational methods of information cohomology and to propose its interpretations in terms of statistical physics and machine learning. In order to further underline the cohomological nature of information functions and chain rules, the computation of the cohomology in low degrees is detailed to show more directly that the <i>k</i> multivariate mutual information (<inline-formula> <math display="inline"> <semantics> <msub> <mi>I</mi> <mi>k</mi> </msub> </semantics> </math> </inline-formula>) are <inline-formula> <math display="inline"> <semantics> <mrow> <mo>(</mo> <mi>k</mi> <mo>&#8722;</mo> <mn>1</mn> <mo>)</mo> </mrow> </semantics> </math> </inline-formula>-coboundaries. The <inline-formula> <math display="inline"> <semantics> <mrow> <mo>(</mo> <mi>k</mi> <mo>&#8722;</mo> <mn>1</mn> <mo>)</mo> </mrow> </semantics> </math> </inline-formula>-cocycles condition corresponds to <inline-formula> <math display="inline"> <semantics> <mrow> <msub> <mi>I</mi> <mi>k</mi> </msub> <mo>=</mo> <mn>0</mn> </mrow> </semantics> </math> </inline-formula>, which generalizes statistical independence to arbitrary degree <i>k</i>. Hence, the cohomology can be interpreted as quantifying the statistical dependences and the obstruction to factorization. I develop the computationally tractable subcase of simplicial information cohomology represented by entropy <inline-formula> <math display="inline"> <semantics> <msub> <mi>H</mi> <mi>k</mi> </msub> </semantics> </math> </inline-formula> and information <inline-formula> <math display="inline"> <semantics> <msub> <mi>I</mi> <mi>k</mi> </msub> </semantics> </math> </inline-formula> landscapes and their respective paths, allowing investigation of Shannon&#8217;s information in the multivariate case without the assumptions of independence or of identically distributed variables. I give an interpretation of this cohomology in terms of phase transitions in a model of <i>k</i>-body interactions, holding both for statistical physics without mean field approximations and for data points. The <inline-formula> <math display="inline"> <semantics> <msub> <mi>I</mi> <mn>1</mn> </msub> </semantics> </math> </inline-formula> components define a self-internal energy functional <inline-formula> <math display="inline"> <semantics> <msub> <mi>U</mi> <mi>k</mi> </msub> </semantics> </math> </inline-formula> and <inline-formula> <math display="inline"> <semantics> <mrow> <msup> <mrow> <mo>(</mo> <mo>&#8722;</mo> <mn>1</mn> <mo>)</mo> </mrow> <mi>k</mi> </msup> <msub> <mi>I</mi> <mrow> <mi>k</mi> <mo>,</mo> <mi>k</mi> <mo>&#8805;</mo> <mn>2</mn> </mrow> </msub> </mrow> </semantics> </math> </inline-formula> components define the contribution to a free energy functional <inline-formula> <math display="inline"> <semantics> <msub> <mi>G</mi> <mi>k</mi> </msub> </semantics> </math> </inline-formula> (the total correlation) of the <i>k</i>-body interactions. A basic mean field model is developed and computed on genetic data reproducing usual free energy landscapes with phase transition, sustaining the analogy of clustering with condensation. The set of information paths in simplicial structures is in bijection with the symmetric group and random processes, providing a trivial topological expression of the second law of thermodynamics. The local minima of free energy, related to conditional information negativity and conditional independence, characterize a minimum free energy complex. This complex formalizes the minimum free-energy principle in topology, provides a definition of a complex system and characterizes a multiplicity of local minima that quantifies the diversity observed in biology. I give an interpretation of this complex in terms of unsupervised deep learning where the neural network architecture is given by the chain complex and conclude by discussing future supervised applications.

Science, Astrophysics
DOAJ Open Access 2019
Overview of the New Version 3 NASA Micro-Pulse Lidar Network (MPLNET) Automatic Precipitation Detection Algorithm

Simone Lolli, Gemine Vivone, Jasper R. Lewis et al.

Precipitation modifies atmospheric column thermodynamics through the process of evaporation and serves as a proxy for latent heat modulation. For this reason, a correct precipitation parameterization (especially for low-intensity precipitation) within global scale models is crucial. In addition to improving our modeling of the hydrological cycle, this will reduce the associated uncertainty of global climate models in correctly forecasting future scenarios, and will enable the application of mitigation strategies. In this manuscript we present a proof of concept algorithm to automatically detect precipitation from lidar measurements obtained from the National Aeronautics and Space Administration Micropulse lidar network (MPLNET). The algorithm, once tested and validated against other remote sensing instruments, will be operationally implemented into the network to deliver a near real time (latency &lt;1.5 h) rain masking variable that will be publicly available on MPLNET website as part of the new Version 3 data products. The methodology, based on an image processing technique, detects only light precipitation events (defined by intensity and duration) such as light rain, drizzle, and virga. During heavy rain events, the lidar signal is completely extinguished after a few meters in the precipitation or it is unusable because of water accumulated on the receiver optics. Results from the algorithm, in addition to filling a gap in light rain, drizzle, and virga detection by radars, are of particular interest for the scientific community as they help to fully characterize the aerosol cycle, from emission to deposition, as precipitation is a crucial meteorological phenomenon accelerating atmospheric aerosol removal through the scavenging effect. Algorithm results will also help the understanding of long term aerosol&#8722;cloud interactions, exploiting the multi-year database from several MPLNET permanent observational sites across the globe. The algorithm is also applicable to other lidar and/or ceilometer network infrastructures in the framework of the Global Aerosol Watch (GAW) aerosol lidar observation network (GALION).

DOAJ Open Access 2019
Thermo-Mechanical Investigations of Packed Beds for High Temperature Heat Storage: Continuum Modeling

Philipp Knödler

Thermal energy storage (TES) systems are central elements for various types of new power plant concepts, whereat packed beds represent a promising storage inventory option. Due to thermal expansion and shrinking of the packed bed&#8217;s particles during cyclic thermal charging and discharging operation, high technical risks arise, and possibly lead to material failure. In order to accurately design the heat storage system, suitable tools for calculating induced forces and stresses are mandatory. Continuum models offer time efficient simulation results, but are in need of effective packed bed parameters. This paper introduces a methodology for applying a simplified continuum model and presents first results for an exemplarily large-scale application.

Technology, Engineering (General). Civil engineering (General)
DOAJ Open Access 2018
Thermodynamics and phase transitions of non-linear charged black hole in AdS spacetime

Cao H. Nam

Abstract We have derived a non-linear charged black hole solution, in the AdS spacetime, which behaves asymptotically like the RN-AdS black hole but at the short distances like a dS geometry. Thus, the black hole is regular. The thermodynamic quantities of the black hole are derived. Also, we analyzed in details the phase transitions of the black hole by observing the discontinuity of the heat capacity at constant pressure and the cusp type double points in the Gibbs free energy-temperature graph. Furthermore, the thermodynamic phases and their stability are investigated relying on the off-sell Gibbs free energy. Finally, we calculated the critical exponents characterizing the behavior of the relevant thermodynamic quantities near the critical point.

Astrophysics, Nuclear and particle physics. Atomic energy. Radioactivity
DOAJ Open Access 2017
Molecular dynamic simulation study of molten cesium

Yeganegi Saeid, Moeini Vahid, Doroodi Zohreh

Molecular dynamics simulations were performed to study thermodynamics and structural properties of expanded caesium fluid. Internal pressure, radial distribution functions (RDFs), coordination numbers and diffusion coefficients have been calculated at temperature range 700–1600 K and pressure range 100–800 bar. We used the internal pressure to predict the metal–non-metal transition occurrence region. RDFs were calculated at wide ranges of temperature and pressure. The coordination numbers decrease and positions of the first peak of RDFs slightly increase as the temperature increases and pressure decreases. The calculated self-diffusion coefficients at various temperatures and pressures show no distinct boundary between Cs metallic fluid and its expanded fluid where it continuously increases with temperature.

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