State Diagram Research Articles

Thermodynamics and energy loss in D dimensions from holographic QCD model

We consider the holographic QCD model with a planar horizon in the D dimensions with different consistent metric solutions. We investigate the black hole thermodynamics, phase diagram and equations of state (EoS) in different dimensions. The temperature and chemical potential dependence of the drag force and diffusion coefficient also have been studied. From the results, the energy loss of heavy quark shows an enhancement near the phase transition temperature in D dimensions. This finding illustrates that the energy loss of heavy quark has a nontrivial and non-monotonic dependence on temperature. Furthermore, we find the heavy quark may lose less energy in higher dimension. The diffusion coefficient is larger in higher dimension.

Steady streaming flow induced by active biological microstructures; application to small intestine villi

Physiological transport of fluid at small scales is often achieved by microscopic active fingerlike structures. It is recognized that they have to move in a non-symmetric fashion in order to break the symmetry of creeping flow and to induce a net movement of the fluid. However, in the limit of low, but non-vanishing, Reynolds number, irreversible flow on long time scales could also be generated by symmetric oscillations of these microstructures. Inspired by small intestine villi, we reported three dimensional direct numerical simulations of the irreversible part of the flow, namely steady streaming flow (SSF), generated by an array of oscillating fingerlike structures. In order to capture these second order flow phenomena, the algorithm was based on a combination of lattice-Boltzmann methods with two relaxation times and the smoothed profile method. SSF was confined inside a steady viscous boundary above the villi. Two steady vortices at the tip of the villi characterized this flow which induced mass transfers between the bulk and the periphery. Strikingly, the spatial extension of these vortices was not solely governed by the Stokes boundary layer but also by the lateral confinement between the villi. Moreover, secondary vortices outside the steady boundary layer were also observed. These findings were rationalized in a state diagram showing three regimes of SSF. Finally, orders of magnitude showed that SSF should contribute to the transport of particles, such as bacteria or nano-particles, on a layer a few hundred micrometers above the villi and on a time scale of few minutes.

Using Iron Ore Ultra-Fines for Hydrogen-Based Fluidized Bed Direct Reduction-A Mathematical Evaluation.

This mathematical evaluation focuses on iron ore ultra-fines for their use in a novel hydrogen-based fluidized bed direct reduction process. The benefits of such a process include reduced CO2 emissions and energy consumption per ton of product, lower operational and capital expenditure, and a higher oxide yield. Typical samples of iron ore ultra-fines, such as pellet feed, are given and classified for a fluidized bed. An operating field for a hydrogen-based fluidized bed direct reduction process using iron ore ultra-fines is shown in the fluidized state diagram following Reh’s approach and compared to other processes. The effects of the process conditions and the agglomeration phenomenon sticking were analyzed and evaluated with mathematical case studies. The agglomeration phenomenon sticking was identified as the most critical issue; thus, the dependencies of the fluid dynamics on the characteristic diameter were examined.

The absence of alternative stable states in vegetation cover of northeastern India.

Globally, forests and savannah are shown to be alternative stable states for intermediate rainfall regimes. This has implications for how these ecosystems respond to changing rainfall conditions. However, we know little about the occurrence of alternative stable states in forest ecosystems in India. In this study, we investigate the possibility of alternative stable states in the vegetation cover of northeastern India, which is a part of the Eastern Himalaya and the Indo-Burma biodiversity hotspots. To do so, we construct the so-called state diagram, by plotting frequency distributions of vegetation cover as a function of mean annual precipitation (MAP). We use remotely sensed satellite data of the enhanced vegetation index (EVI) as a proxy for vegetation cover (at 1 km resolution). We find that EVI exhibits unimodal distribution across a wide range of MAP. Specifically, EVI increases monotonically in the range 1000–2000 mm of MAP, after which it plateaus. This range of MAP corresponds to the vegetation transitional zone (1200–3700 m), whereas MAP greater than 2000 mm covers the larger extent of the tropical forest (less than or equal to 1200 m) of northeast India. In other words, we find no evidence for alternative stable states in vegetation cover or forest states at coarser scales in northeast India.

Design, Implementation, and Performance Evaluation of a Web-Based Multiple Robot Control System

Heterogeneous multiple robots are currently being used in smart homes and industries for different purposes. The authors have developed the Web interface to control and interact with multiple robots with autonomous robot registration. The autonomous robot registration engine (RRE) was developed to register all robots with relevant ROS topics. The ROS topic identification algorithm was developed to identify the relevant ROS topics for the publication and the subscription. The Gazebo simulator spawns all robots to interact with a user. The initial experiments were conducted with simple instructions and then changed to manage multiple instructions using a state transition diagram. The number of robots was increased to evaluate the system’s performance by measuring the robots’ start and stop response time. The authors have conducted experiments to work with the semantic interpretation from the user instruction. The mathematical equations for the delay in response time have been derived by considering each experiment’s input given and system characteristics. The Big O representation is used to analyze the running time complexity of algorithms developed. The experiment result indicated that the autonomous robot registration was successful, and the communication performance through the Web decreased gradually with the number of robots registered.

DFT study of transition metals doped calix-4-pyrrole with excellent electronic and non-linear optical properties

Herein a detailed comparative study on the transition metal doped calix-4-pyrrole was carried out to determine the optical, electronic, and non-linear optical (NLO) properties, as well as to synthesize some thermodynamically stable complexes. All the computational work was accomplished using density functional theory (DFT). The optical and chemical properties of Sc[CPM1]Sc, Ti[CPM1]Sc, Sc[CPM1]Ti, and Ti[CPM1]Ti were seen to be superior to the un-doped cage. Doping of transition metals inside and outside the cage increased the diffused excess electrons, as a result lowering the energy gap (from 4.01 to 2.15 eV). Due to these excess electrons and lower excitation energy, noteworthy increasement took place in the polarizability and hyperpolarizability of all doped structures. The minimum energy gap (2.15 eV) and largest first hyperpolarizability (16360 a.u) was observed for Sc[CPM1]Sc. Non-covalent interaction (NCI) analysis illustrated that the intermolecular forces are the major cause of interaction between the cage and dopants. It was also indicated from the density of state (DOS) and frontier molecular orbital (FMO) diagrams that the transition metals significantly raised the distribution of charge density in the structures under study, especially in Sc[CPM1]Sc, while the capability to transfer charges was revealed from transition density matrix (TDM) graphs. Natural bond orbital (NBO) charge analysis revealed that transfer of charges occurred from the dopants towards the surface. Calculated values of interaction energy, binding energy, and vertical ionization potential confirmed the thermo-dynamical stability of the molecules. Time-dependent DFT measures were conducted to evaluate all the necessary transitions and absorption analysis. Consequently, all the calculated parameters praised the capability of our designed molecules in the field of electronics and non-linear optics.

State Diagrams to Understand Failure Pathways in Radiation Therapy: A Case Study of ‘Failure to Hold Treatment’

Aim: A state diagram can be used to map systems and understand processes. Mapping objects (people, tools) and transitions between discrete states increases understanding of the pathways to reach a successful terminal state or a failed state (error or incident). A state diagram was used as part of a case study to investigate an incident where treatment was delivered while radiation treatment was being re-considered. The goal was to explore the ability of this tool to identify radiation therapy practice changes that may reduce or eliminate the potential for treatment to proceed when not intended, or the actions required to hold treatment once a treatment course has commenced. Process: The incident being investigated was a case where all steps were completed for treatment to proceed (treatment plan and prescription were approved), however due to patient co-morbidities and hospital admission, the decision of whether to proceed with treatment was still under consideration when the first fraction of treatment was delivered. To map out the transitions surrounding this event, a state diagram was created. 4 objects and substates were identified: Intention to treat (yes, no, undecided), Patient location (present, absent), Prescription status (none, unapproved, approved) and Plan status (none, unapproved, approved, rejected, discontinued). A composite state diagram was then used to map out the 90 possible combinations of substates including a successful terminal state (intended treatment delivery), and failed states (unintended treatment delivery). Benefits/Challenges: Mapping a system using a state diagram directs attention towards key activities that are required for an error to occur. The goal is to direct process improvement to prevent not only the failed state, but to keep the state of the system more than one step away from the failed state and create barriers or detection mechanisms at these transitions. This tool indicated that some treatment plan status changes require significant rework; treatment prescription changes are low effort but highly dependent on an individual; and that ‘on hold’ status of the plan and prescription is required to make the intention unambiguous. The complexity of a state diagram increases with the number of objects, states, substates and transition pathways. It was necessary to exclude objects that are unreliable or out of programmatic control such as free-text documentation, in person communication, and patient transportation arrangements. Exclusion of these objects to prevent overcomplication was a limitation of the state diagram. Impact/Outcomes: In this case, the state diagram helped to identify 6 states that were one step away from a failed state. Clear identification of these states can be targeted for future process improvement. State diagrams were found to be a useful tool in analyzing the pathways that can lead to unintended radiation treatment delivery and to examine the processes and transitions leading to specific events in radiation therapy.

Functional safety analysis of safety-critical system using state transition diagram

The subject of research is to determine the functional safety indicators of a fault-tolerant safety-critical system, namely, the minimal cut sets’ probability for a given duration of the system’s operation, using the state transition diagram (STD). The aim is to create a new method for analyzing the functional safety of a fault-tolerant safety-critical system. This method is based on the methodology of developing models of operational reliability behavior in the form of STD. This methodology provides a detailed representation of inoperable states and their relation with pre-failure (inoperable critical) states. The task is to propose a new classification for inoperable states of the STD to obtain all possible emergencies in the same space of inoperable states. This approach allows consideration the correlations between the failures, that it is impossible to use the fault trees. Since the space of inoperable states can reach hundreds and thousands of states, a method is proposed for their automated determination according to the classification. The state space method was used to conduct the validation of the method of functional safety analysis. The following results were obtained: the system of Chapman-Kolmogorov differential equations is formed in accordance with the STD and it provides the dependence of the functional safety indicator – the minimal cut sets’ probability as a function of the operational duration of the fault-tolerant safety-critical system. This dependence is called the emergency function. The method for determining the emergency function is based on the usage of the emergency mask. Note that the proposed model of operational reliability behavior in the form of STD provides the possibility to conduct both the functional safety and the reliability indicators. The value of the minimal cut sets’ probability for a given duration of operation is determined using the fault tree for the validation of the proposed method of functional safety analysis. The fault tree was built by Reliasoft BlockSim software. The obtained value coincides with the value of the minimal cut sets’ probability, which was defined by the emergency function for the same operational duration. Thus, the designer can comprehensively analyze the feasibility of introducing redundancy (structural, temporal, functional). Conclusions: the scientific novelty of the obtained results is the following: the new method for determining safe, critical and catastrophic states in the set of inoperable states is used in the methodology of the STD developing to obtain the stochastic model of operational reliability behavior of fault-tolerant safety-critical system. This technique ensures an automated defining of emergency function by using an improved structural-automatic model.

Alloy Design and Solidification Microstructure Analysis of in Fe-P-C-Ag Immiscible Metallic Glass

Solidification microstructure in Fe-based Fe-X-based metallic glasses (X = Cu, Ag, Au, Pd, Pt, Rh, Ir, Ru, Os, Re, Hg) (X is a noble metallic element) with liquid phase separation (LPS) was categorized. Only Fe-Cu-based and Fe-Ag-based metallic glasses with liquid phase separation were reported among Fe-X-based alloys. Fe-P-C-Ag immiscible metallic glasses which showed liquid-phase separation were designed using the alloy parameters of mixing enthalpy, the ground state diagrams constructed by the Materials Project, and Calculation of Phase Diagrams (CALPHAD). Macroscopically separated ribbons composed of FCC-Ag entangled ribbons and Fe-P-C metallic glass ribbons were obtained by a melt-spinning method. The formation mechanism of the macroscopically separated ribbons in Fe-P-C-Ag immiscible metallic glasses is described with LPS behavior and melt-spinning process in this study.

Thermodynamics of alkaline-earth metals reduction from slag melts

Based on the state diagrams of two–component silicate systems SrO – SiO2 , BaO – SiO2 , CaO – SiO2 , the authors have determined the activity of components in invariant (eutectic and monotectic) points of the systems under consideration. Crystallization processes at invariant eutectic points l1 and l2 are considered as chemical reactions le1 (KSiO2 (l) + lMeO(l)) → CSiO2 (sol) + α(MeO·SiO2 )(sol), le2 (mSiO2 (l) + nMeO(l)) → (MeO·SiO2 )(sol) + b(2MeO·SiO2 )(sol), for which the values ΔG°T and the equilibrium constants were established. The values of aMeO in the slags were determined at given temperatures and known values of the component activities in metal melts in equilibrium with slag. In homogeneous slag melts, the activity of alkaline-earth metal (AEM) oxides was defined from the constants of equilibrium reactions of reduction of these metals from slags by silicon of iron-silicon metal melts. In the zone of homogeneous slag melts, the dependences aSiO2 = f (x(SiO2 )) were constructed at temperatures of 1600 and 1700 °C, and when using data on the activities of AEM (Sr, Ba, Ca) in metallic high-silicon melts, the dependences lga(SrO) = f (x(SiO2 ) , x(Si)) at 1493 °C and lga(BaO) = f (x(SiO2 ) , x(Si)) at 1450 °C were determined. On a three-parameter diagram in coordinates a[Si] – a(SiO2 ) – a(MeO) (for AEM), the dependencies a(SrO) = f (a[Si] , a(SiO2 ) ) at 1493 °C and a(BaO) = f (a[Si] , a(SiO2 ) ) at 1450 °C were constructed. It is shown that low equilibrium values of a(SrO) and a(BaO) , lga(SrO) = f (a(SiO2 ) , a[Si] ) ≤ (–4) and lga(BaO) = f (a(SiO2 ) , a[Si] ) ≤ (–3), can be achieved at equilibrium values of silicon activity in metal melts a[Si] > 0,5 during strontium reduction and a[Si] > 0,7 during barium reduction.

Solute inclusion during progressive freeze concentration: A state diagram approach

We propose a conceptual model for progressive freeze concentration, which predicts solute loss through inclusion in the ice based on the system's phase behaviour as illustrated in a state diagram. We compare the outcomes of the model for sodium chloride, sucrose, and bovine serum albumin (BSA). For ice growth rates in the order 10−2 μm/s there was no solute inclusion for sodium chloride or sucrose, but above this range, local super-cooling gives rise to a freezing zone. In this freezing zone ice and solution co-exist and the resulting uneven advancement of the ice causes inclusions. The model predicts that for macromolecular solutions such as BSA, no inclusion will take place through the proposed mechanism.

Influence of Coulomb disorder on the phase diagrams of the Anderson-Hubbard model

We study the half-filled Hubbard model with Anderson and Coulomb disorder by mean of dynamical mean field theory using the geometrically averaged local density of states. The paramagnetic phase diagram of the model as a function of the Coulomb interaction and Anderson disorder strength is obtained. The spectral phase diagrams of the ground states for the model are also constructed and discussed. We show that in the intermediate and strong interaction regimes, the Coulomb disorder leads the metallic and Mott insulator phase regions shrink, while the Anderson insulator region is enlarged.

Stochastic analysis of two unit system

The paper analyzes the sensitivity of two unit system for system parameters uses Regenerative Point Graphical Technique (RPGT). Taking failure and repair rates constant. A state diagram of the system depicting the transition rates is drawn. Expressions for path probabilities mean sojourn times, mean time to system failure, availability of the system, busy period of the server, expected number of server’s visits are derived using RPGT. Sensitive analysis of the system is done. Tables and graphs are prepared to compare and draw the conclusion.

The effect of customer satisfaction on parcel delivery operations using autonomous vehicles: An agent-based simulation study

The quality of Third-Party Logistics (3PL) services represented by delivery time decides the outcome of customer satisfaction. The result of this satisfaction judges the type of Word of Mouth (WoM) that, if positive, plays a vital role in attracting non-customers who are willing in 3PL services to join as customers.In this paper, we investigate the effect of an essential factor represented by Word of Mouth on the number of customers in 3PL companies. Therefore, an agent-based model for parcel delivery is developed to investigate the impact of social factors such as WoM and other operational factors, including vehicle number and speed, on customer number and satisfaction, average service time, and vehicle utilization.As a methodology, state charts of Vehicle, Customer, Hub agents are developed to mimic the messaging protocols between these agents under the WoM concept. A case study based in 3PL in Jordan is used as a test bench of the developed model. A sensitivity analysis study is conducted to test the developed model's performance, including different levels of influential model parameters such as targeting non-customers parameters by Loyal/Unhappy customers.Key results reveal that the best scenario is achieved when the WoM value equals 10, the vehicle number equals 30, and the vehicle speed equals 60 km/h. These model parameters result in higher customer numbers of 873, vehicle utilization equals 63%, and customer satisfaction equals 99%. Video of our proposed model showing it in action can be found at: https://www.youtube.com/watch?v=3rR4l130-QU.

Phase Equilibrium in the Ternary CeО<sub>2</sub>-La<sub>2</sub>O<sub>3</sub>-Yb<sub>2</sub>O<sub>3</sub> System at 1500 °С

Materials based on cerium oxides and REE are perspective for use in medicine, energy and mechanical engineering due to the uniqueness of their authorities. Stationary system diagrams are the physicochemical basis for the creation of such materials as solid electrolytes for fuel comics, oxygen gas sensors, catalyst carriers, protected coatings for alloys, etc. In this work, phase equilibria and structural transformations in the system CeO2-La2O3-Yb2O3 at a temperature of 1500 oС in all international concentrations are investigated by the methods of microstistructural and X - ray phase analysis. It is established that in the triple system CeO2-La2O3-Yb2O3 fields of solid solutions based on cubic (F) modification of the structure of the structure of fluorite CeO2, monoclinic (B) and cubic (C) modification of Yb2O3 and hexagonal (A) modification of La2O3 (R) are used, which crystallizes in a Perovski-type structure with rhombic curvatures. It was found that the rarefaction of CeO2 in the crystal lattice of the ordered phase with the structure of the perovskite type LaYbO3 (R) is ~ 3 mol. %. Isothermal review of the state diagram of the systems CeO2-La2O3-Yb2O3 at reveals the presence of two three-phase (F + C + R), (A + R + F) and five two-phase (A + F), (A + R), (R + C), (F + R), (F + C) regions.

MAGRATHEA: an open-source spherical symmetric planet interior structure code

ABSTRACT MAGRATHEA is an open-source planet structure code that considers the case of fully differentiated spherically symmetric interiors. Given the mass of each layer and the surface temperature, the code iterates the boundary conditions of the hydrostatic equations using the method of shooting to a fitting point in order to find the planet radius. The first version of MAGRATHEA supports a maximum of four layers of iron, silicates, water, and ideal gas. With a few exceptions, the temperature profile can be chosen between isothermal, isentropic, and user-defined functions. The user has many options for the phase diagram and equation of state in each layer and we document how to add additional equations of state. We present MAGRATHEA’s capabilities and discuss its applications. We encourage the community to participate in the development of MAGRATHEA at https://github.com/Huang-CL/Magrathea.

Characterization of the high-pressure and high-temperature phase diagram and equation of state of chromium

The high-pressure and high-temperature phase diagram of chromium has been investigated both experimentally (in situ), using a laser-heated diamond-anvil cell technique coupled with synchrotron powder X-ray diffraction, and theoretically, using ab initio density-functional theory simulations. In the pressure–temperature range covered experimentally (up to 90 GPa and 4500 K, respectively) only the solid body-centred-cubic and liquid phases of chromium have been observed. Experiments and computer calculations give melting curves in agreement with each other that can both be described by the Simon–Glatzel equation T_{m}(P) = 2136K (1 + P/25.9)^{0.41}. In addition, a quasi-hydrostatic equation of state at ambient temperature has been experimentally characterized up to 131 GPa and compared with the present simulations. Both methods give very similar third-order Birch–Murnaghan equations of state with bulk moduli of 182–185 GPa and respective pressure derivatives of 4.74–5.15. According to the present calculations, the obtained melting curve and equation of state are valid up to at least 815 GPa, at which pressure the melting temperature is 9310 K. Finally, from the obtained results, it was possible to determine a thermal equation of state of chromium valid up to 65 GPa and 2100 K.

Age of information in energy harvesting dual-sensor status update systems with HARQ-MRC

We consider an energy harvesting powered wireless sensor network consisting of two sensors and one destination, where the sensors with finite-sized batteries harvest energy to transmit the sensed status update to the destination. A two-stage communication model, containing both control data and status update transmissions, is considered. Specifically, the destination first transmits the control data to the sensors using hybrid automatic repeat request with selection combining (HARQ-SC) for allocating wireless resources. Then, trigged by a common controller, the sensors synchronously sense and transmit the same status update to the destination using truncated HARQ with maximal ratio combining (HARQ-MRC). The system is interested in not only the fresh sensed data (e.g., humidity, temperature, moisture content) as the newest data usually carries the most valuable information, but also the steady harvested energy as the battery-powered sensors are energy-limited. We first present the energy state transition diagram by a Markov chain to characterize the energy harvesting model, and then provide the corresponding energy transition matrix as well as the steady-state distribution. Considering both the preemptive and non-preemptive transmissions, we derive the average age of information (AoI) expression as a function of energy arrival probability, update generation probability, and maximum allowable number of transmissions. Simulation results validate the theoretical results and demonstrate that the preemptive and non-preemptive schemes can outperform each other for minimizing the average AoI in different system configurations.

Recovery of Zinc from the Concentrate of Domestic Waste Processing by Vacuum Distillation

The heterogeneity and local distribution of elements are established as a result of the study of nonferrous metals distribution and the composition of domestic wastes processing concentrate containing 20–40% copper, 40–50% brass, 20–28% zinc and up to 1% aluminium. Metals are mainly concentrated in granules of three types: zinc-based, copper-based and copper–zinc alloy, i.e., brass. The phase composition of these granule types and their structure are determined. Zinc granules are covered with a refractory oxide shell. A distillation processing method for such raw materials based on full state diagrams, including the phase transition of melting pairs of double systems of copper and tin with zinc and lead, is offered. The possibility of a rather complete zinc distillation (over 90%) with the accumulation of other metals in the copper-based alloy, containing more than 96 wt. % of the basic element, has been demonstrated by electric crucible melting in a highly reducing atmosphere. Copper-based alloys, after adjustment for the content of some metals (tin), can be realized as pressure-treated tin bronzes. Copper with the content of impurities corresponding to the standard for blister copper can be electrolytically processed (after dissolution in sulphuric acid) in copper production. Equipment for the implementation of the electro-thermal processing process that provides metal recycling of the metal concentrate is proposed.

The He-H3 + complex. II. Infrared predissociation spectrum and energy term diagram.

The rotationally resolved infrared (IR) spectrum of the He-H3 + complex has been measured in a cryogenic ion trap experiment at a nominal temperature of 4K. Predissociation of the stored complex has been invoked by excitation of the degenerate ν2 mode of the H3 + sub-unit using a pulsed optical parametric oscillator system. An assignment of the experimental spectrum became possible through one-to-one correlations with bands of the spectrum theoretically predicted in Paper I [Harding et al., J. Chem. Phys. 156, 144307 (2022)]. 19 bands have been assigned and analyzed, and the energy term diagram of the lower states of this floppy molecular complex has been derived from combination differences (CDs) in the experimental spectrum. Ground state combination differences (GSCDs) reveal a large part of the energy term diagram for the He-H3 + complex in its vibrational ground state, v = 0. Experimental and theoretical term energies agree within experimental accuracy for the rotational fine structure associated with the total angular momentum quantum number J and the parity e/f as well as for the coarse spacing of the lowest K states of the complex. This favorable comparison shows that the potential energy surface (PES) calculated in Paper I is accurate. The barriers between the three equivalent global minima in this PES are relatively low and the He-H3 + complex is extremely floppy, with nearly unhindered internal rotation of the H3 + sub-unit. The resulting Coriolis interactions couple the internal and end-over-end rotation of the complex and contribute significantly to the energy terms. They are observed both in experiment and theory and are, e.g., the origin of different rotational constants for states of e and f parity. Also in this respect, experiment and theory agree very well. Despite the assignment and analysis of many bands of the extremely rich IR spectrum of He-H3 +, higher levels of excitation, including the complex stretching mode, need further attention.