Energy Minimization Techniques Research Articles

Delineating the uranium anomalous zones using remote sensing and radiometric data: a case study from Gabal Umm Tinassib area, North Eastern Desert, Egypt

AbstractRemote sensing (RS) and airborne gamma-ray spectrometric (AGS) methods are utilized to delineate significant uranium zones and altered mineralization areas in Gabal Umm Tinassib and its surrounding region, situated in the northern section of the Egyptian Eastern Desert. AGS serves as a valuable tool for mapping surface geology and conducting mineral exploration. It assesses the concentrations of radioactive elements such as potassium (K), equivalent uranium (eU), and equivalent thorium (eTh). The concentration of radioelements exhibits measurable and significant variation according to lithology. On the other hand, several processing steps are employed for the RS data to generate high-quality images for geological mapping and to identify the mineralized alteration zones. The analysis of RS and AGS data in this study led to insightful conclusions. The utilization of False Color Composite (FCC) with the three best bands derived from the Optimum Index Factor (OIF), Principal Component Analysis (PCA) to extract two highly informative datasets, and the application of two band ratios contributed to accurate geological mapping. These band ratios notably identified identical alteration locations on both younger and older granite basement rocks. Additionally, the constrained energy minimization (CEM) technique effectively pinpointed alterations across these strata. The statistical analysis of AGS data revealed that radioactivity levels in the region range from 1.3 to 19.3 Ur for the total-count (TC), 0.2–3.6% for K, 0.09–11.6 ppm for eU, and 1.1–30.0 ppm for eTh. The estimated coefficient of variability (CoV) demonstrated that the three radio-elements exhibited normal distribution patterns across different rock units, with CoV values of less than 100%, except for K in the Malha Formation. High radiometric readings are observed in the outcroppings of younger and older granites. However, the lowest readings are recorded over undifferentiated Upper-Cretaceous sediments, Abu Rimth Formation, Galala Formation, and some parts of Quaternary sediments. The derived ternary radio-elements map highlights significant radiometric and related uranium anomalous zones as bright white regions. A strong correlation was found between high radiometric anomalous zones and the presumed occurrence of alteration zones in the study area.

ASTER data processing and fusion for alteration minerals and silicification detection: Implications for cupriferous mineralization exploration in the western Anti-Atlas, Morocco

Alteration minerals and silicification are typically associated with a variety of ore mineralizations and could be detected using multispectral remote sensing sensors as indicators for mineral exploration. In this investigation, the Visible Near-Infra-Red (VNIR), Short-Wave Infra-Red (SWIR), and Thermal Infra-Red (TIR) bands of the ASTER satellite sensor derived layers were fused to detect alteration minerals and silicification in east the Kerdous inlier for cupriferous mineralization exploration. Several image processing techniques were executed in the present investigation, namely, Band Ratio (BR), Selective Principal Component Analysis (SPCA) and Constrained Energy Minimization (CEM) techniques. Initially, the BR and SPCA processing results revealed several alteration zones, including argillic, phyllic, dolomitization and silicification as well as iron oxides and hydroxides. Then, these zones were mapped at sub-pixel level using the CEM technique. Pyrophyllite, kaolinite, dolomite, illite, muscovite, montmorillonite, topaz and hematite were revealed displaying a significant distribution in relation with the eastern Amlen region lithological units and previously detected mineral potential zones using HyMap imaging spectroscopy. Mainly, a close spatial association between iron oxides and hydroxide minerals, argillic, and phyllic alteration was detected, as well as a strong silicification was detected around doleritic dykes unit in Jbel Lkest area. A weighted overlay approach was used in the integration of hydrothermal alteration minerals and silicification, which allowed the elaboration of a new mineral alteration map of study area with five alteration intensities. ASTER and the various employed processing techniques allowed a practical and cost effective mapping of alteration features, which corroborates well with field survey and X-ray diffraction analysis. Therefore, ASTER data and the employed processing techniques offers a practical approach for mineral prospection in comparable settings.

Thermoelectric properties of TaVO5 and GdTaO4: An experimental verification of machine learning prediction

Advancements in materials discovery tend to rely disproportionately on happenstance and luck rather than employing a systematic approach. Recently, advances in computational power have allowed researchers to build computer models to predict the material properties of any chemical formula. From energy minimization techniques to machine learning-based models, these algorithms have unique strengths and weaknesses. However, a computational model is only as good as its accuracy when compared to real-world measurements. In this work, we take two recommendations from a thermoelectric machine learning model, TaVO5 and GdTaO4, and measure their thermoelectric properties of Seebeck coefficient, thermal conductivity, and electrical conductivity. We see that the predictions are mixed; thermal conductivities are correctly predicted, while electrical conductivities and Seebeck coefficients are not. Furthermore, we explore TaVO5’s unusually low thermal conductivity of 1.2 Wm−1K−1, and we discover a possible new avenue of research of a low thermal conductivity oxide family.

Lineaments Characterization and their Tectonic Significance in Mineralization using Landsat TM Data and Field Studies along Mambilla Plateau, Northeast, Nigeria

Lineament characterization and their tectonic significance in mineralization using Landsat TM data and field studies Along the Mambilla Plateau and environs, northeast Nigeria .The area forms part of the mineralized shear zone of the Northeastern, part of the Basement Complex. The Basement Complex rocks underlie more than two-thirds of the plateau and date back to the Precambrian to early Paleozoic eras. While the remaining part of the plateau and its surroundings are made up of volcanic rocks of the upper Cenozoic to Tertiary and Quaternary ages. Remote sensing imagery data and field measurements were integrated for mapping the structural elements and hydrothermal alteration zones related to mineralization. Tectonically the lineaments trends NE-SW, NNW-SSE, NW-SE, and NS, are the main trends controlling mineralization in the area based on data from remote sensing and field measurements. On the other hand, applying band ratios and the constrained energy minimization (CEM) technique to Landsat-8 data pointed out alteration minerals associated with the hydrothermal fluids. Silica, sericite, and chlorite are the common alteration minerals detected, while goethite and epidote are less common in the alteration zones of the area under study. A combination of CET structural complexity, circular features, and alteration zones produced a potential mineralization map, pointing out numerous prospective zones for mineralization that are proximate to areas where artisanal mining activities are carried out. The predictive map was validated by projecting the known prospect zones in the study area, reflecting an agreement between the known occurrences and the higher classes of the predictive zone. The techniques in the current research can be adopted as a direct indicator for structural mapping and detecting alteration zones related to mineralization elsewhere.

Resonant ultrasound spectroscopy applications: Elastic moduli computation with x-ray computed tomography input for irregularly shaped objects.

Resonant ultrasound spectroscopy is a technique that uses a combination of experimentally measured resonant frequencies and physics-based computation of these frequencies to determine the entire set of single crystal elastic moduli of the material. Computation of the resonances is most often accomplished using the Rayleigh-Ritz energy minimization technique, and a basis function that requires sample with canonical geometry, such as a cylinder or a rectangular parallelepiped. Any deviation from canonical geometry can have a significant impact on the calculated resonance frequencies and the inverted elastic moduli. To overcome this limitation, this paper describes an approach that uses x-ray computed tomography data to generate accurate solid part model of components with complex geometry. The part model is then imported into an off-the-shelf finite element method (FEM) software to perform the forward problem. The FEM was combined with surrogate modeling for computation of resonance frequencies of both canonical and non-canonical samples, and ultimately, the inversion of elastic moduli.

A comparison of Fourier and POD mode decomposition methods for high-speed Hall thruster video

Hall thrusters are susceptible to large-amplitude plasma oscillations that impact thruster performance and lifetime and are also difficult to model. High-speed cameras are a popular tool to study these dynamics due to their spatial resolution and are a popular, nonintrusive complement toin situprobes. High-speed video of thruster oscillations can be isolated (decomposed) into coherent structures (modes) with algorithms that help us better understand the evolution and interactions of each. This work provides an introduction, comparison, and step-by-step tutorial on established Fourier and newer Proper Orthogonal Decomposition (POD) algorithms as applied to high-speed video of the unshielded H6 6-kW laboratory model Hall thruster. From this dataset, both sets of algorithms identify and characterizem= 0 andm> 0 modes in the discharge channel and cathode regions of the thruster plume, as well as mode hopping between them= 3 andm= 4 rotating spokes in the channel. The Fourier methods are ideal for characterizing linear modal structures and also provide intuitive dispersion relationships. By contrast, the POD method tailors a basis set using energy minimization techniques that better captures the nonlinear nature of these structures and with a simpler implementation. Together, the Fourier and POD methods provide a more complete toolkit for studying Hall thruster plasma instabilities and mode dynamics. Specifically, we recommend first applying POD to quickly identify the nature and location of global dynamics and then using Fourier methods to isolate dispersion plots and other wave-based physics.

Inkjet printing on hydrophobic surfaces: Controlled pattern formation using sequential drying.

Inkjet-printed micro-patterns on hydrophobic surfaces have promising applications in the fabrication of microscale devices such as organic thin-film transistors. The low wettability of the surface prevents the inkjet-printed droplets from spreading, connecting to each other, and forming a pattern. Consequently, it is challenging to form micro-patterns on surfaces with low wettability. Here, we propose a sequential printing and drying method to form micro-patterns and control their shape. The first set of droplets is inkjet-printed at a certain spacing and dried. The second set of droplets is printed between these dry anchors on the surface with low wettability. As a result, a stable bridge on the surface with low wettability forms. This printing method is extended to more complicated shapes such as triangles. By implementing an energy minimization technique, a simple model was devised to predict the shape of the inkjet-printed micro-patterns while confirming that their equilibrium shape is mainly governed by surface tension forces. The gradient descent method was utilized with parametric boundaries to emulate droplet pinning and wettability of the anchors and to prevent convergence issues from occurring in the simulations. Finally, the energy minimization based simulations were used to predict the required ink to produce dry lines and triangles with smooth edges.

Detecting Oxides Mineralization Utilizing Remote Sensing and Comprehensive Mineralogical Analysis: A Case Study Around Mikbi-Zayatit District, South Eastern Desert, Egypt

Undoubtedly, involving more tools, datasets, and techniques for detecting the mineralized areas sharply narrow the zones to be investigated and delivered, in most cases highly potential zones. Consequently, this study is an attempt to apply remote sensing data including Sentinel 2 and ASTER, field observations, petrography of the hydrothermal alteration processes, ore microscopic investigations, X-ray examinations, and EDX analysis to detect and emphasize mineralization types at Wadi Mikbi and Wadi Zayatit district, South Eastern Desert, Egypt. Towards accurate lithological mapping, remote sensing data, previous geological maps, and the field investigations recorded serpentinites, ophiolitic metagabbros, amphibolites, epidosite, arc-related metasediments (schists and quartzites), metagabbro-tonalite complex, dunite, olivine gabbros, and granitic rocks encountered in the study district. Additionally, various hydrothermal alteration zones have been primarily outlined using ASTER and Sentinel 2 data by implementing informative band ratios and constrained energy minimization techniques. The mineralogical studies have confirmed most of the remotely-detected hydrothermal alteration minerals. Ore microscopy, XRD technique, and EDX microchemical analysis of representative mineralized samples of the study district identified magnetite, ilmenite, titanomagnetite, chromite, magnesioferrite, quartz, apatite, clinochlore, plagioclase, pyroxene and epidote. Cross-linking remote sensing results, field observations and laboratory studies revealed that the dominant hydrothermal alteration processes include oxidization, serpentinization, carbonatization, epidotization, silicification, zoisitization, muscovitization, sericitization, and chloritization. Spatial overlay analysis of the resultant altered features, structural dissection, field observations, and analytical studies were integrated to build a mineral potentiality map of the study district.

High temperature thermo-chemical properties evolution of NaF-NiF2 system

In Molten Salt Reactor (MSR), Ni based alloys are more suitable for handling of the molten fluoride salts because of formation of corrosive resistive NiF2 layer over the structural material components. A ternary mixture of LiF-NaF-KF (FLiNaK) can be used as coolant salt for transfer of heat from the reactor core. NiF2 layer of the Ni-based alloys shows reactivity towards NaF at reactor operating temperature. NaNiF3(s) is the single complex ternary compound in the NaF-NiF2 system. The compound has been synthesized and characterized. The thermodynamic stability of NaNiF3(s) has been experimentally measured in terms of Gibbs energy of formation using Galvanic cell technique and its measured ΔfG°m(T) was obtained as.ΔfG°m(T) [NaNiF3(s)]/kJ mol−1 = (−1242.9 ± 2.3) + (0.2312 ± 0.0039) × (T/K).The heat capcity and high temperature enthalpy increment was also experimentally measured using DSC and high temperature calorimetric technique, respectively and the values were obtained as.Cp,m(J·mol−1·K−1) = 117.74 + 0.0498 × T −1.07351 × 106/T2(303 ≤ T/K ≤ 828).(HT-H298)(J·mol−1) = −40270.6 + 120.4 × T + 0.0234 × T2+717669.7/T.Effect of oxygen impurity over the stability of the compound has been investigated by calculating the chemical potential diagram of Na-Ni-F-O system. The binary phase diagram of NaF-NiF2 system and the ternary phase diagram of Na-Ni-F2 system has been calculated based on Gibbs energy minimization technique using the experimental thermodynamic data.

Precipitation of pure solids in fluid mixtures: A calculation procedure based on Gibbs energy minimization

The possibility of phase equilibria involving solid phases is often ignored in the popular phase-equilibrium calculation tools although one possible way of accounting for the potential presence of solid phases is to assume that solids precipitate as pure compounds. Using this assumption, multicomponent systems may contain a number of pure solid phases equal to the number of components. Predicting the correct number of coexisting solid and fluid phases then becomes a challenge. In this work, the Gibbs energy minimization technique is used. The cases of fluid (vapor or liquid) + solid(s) phase equilibrium and multi-fluid + solid(s) (i.e., 1 or 2 liquid phases and/or vapor phase + solid phases) equilibrium are both described. The effectiveness of the proposed approach is demonstrated by applications to several examples. A Python code is provided to illustrate the proposed algorithms.

Bioremediation of Chromium-Contaminated Groundwater Using Chromate Reductase from Pseudomonas putida: An In Silico Approach

Chromium is a toxic heavy metal abundantly present in the environment, specifically in groundwater. The groundwater in Saudi Arabia was assessed for heavy metal presence; chromium was detected at a high concentration in Madinah. Many researchers have used various bioprocesses over the last few decades to mitigate Cr(VI) toxicity. The genus Pseudomonas member Pseudomonas putida is widely dispersed in the natural environment. P. putida is chromate-resistant and has a high chromate reduction rate. Bioremediation procedures can eradicate the most potently toxic metal, Cr(VI), in water, air, and soil. Chromate reductase (ChrR) is a bacterial enzyme from P. putida that can be utilized in bioremediation to remove chromate from the environment in a cost-effective and environmentally safe approach. To comprehend the role of ChrR in reducing Cr(VI) to Cr(III), a thorough sequence analysis was followed by constructing models for wild-type and mutants by applying several homology modeling techniques. The protein structure quality of the generated models was evaluated, and the best model was adopted for further optimization by employing an energy minimization technique. Molecular docking studies investigated the intra-molecular interaction between wild-type and mutant ChrR and Cr(VI). Our study is a novel method for determining the 3D structure and interaction of ChrR with Cr(VI) to convert it to a less hazardous form (III). Additionally, it provides stable mutants: Arg83Trp, Gly124Ile, and His127Trp, with a high binding affinity for Cr(VI), which can be considered for protein engineering to produce stable and efficacious enzymes to reduce Cr(VI) to a less toxic form.

Synthesis and characterization of a computationally predicted redox and radiation stable deep eutectic solvent

• DFT calculations towards finding suitable HBD and HBA for the formation of redox and radiation stable DES. • Phase diagram to depict the molar ratio of the constituents in the new DES. • Stabilization energy calculation of the predicted new DES. • Experimental synthesis and characterization of the DES predicted from computational calculations. • Radiation stability study and by-product analysis of the as synthesized DES under gamma irradiation. A redox and radiation stable DES has been predicted based on the fundamental electronic properties such as energy gap, ionization potential and electron affinity computed applying suitable density functionals in combination with 6-311++G(d,p) set of atomic basis functions. A selected series of optimized hydrogen bond donors (HBDs) and hydrogen bond acceptors (HBAs) has been screened using density functional theory (DFT). The long range corrected density functionals; ωB97XD and LC-BLYP are found to be cost effective and appropriate towards orbital energy gap calculations of such systems. Choline acetate and malonic acid appeared to be the most appropriate combination among those studied for formation of a chemical and radiation stable DES. Theoretically constructed phase diagram using Gibbs free energy minimization technique is applied to suggest the eutectic point and eutectic composition of the recommended DES. Stabilization energy calculations following electronic structure support the phase diagram data denoting formation of a stable eutectic with 1:2 stoichiometry. Density, viscosity, differential scanning calorimetry (DSC) and Fourier transform infra-red (FTIR) experiments have been carried out with this synthesized DES. Measured glass transition temperature (−75 °C) is observed to be lower than the theoretical eutectic point (−40 °C) indicating strong interspecies interaction within the medium. Experimental FTIR analysis gives an idea of the type and number of H-bonds present within the DES whereas computationally optimized 1:2 geometry identifies the specific H-bonds along with their distances. Irradiation of this new DES has been conducted at a constant dose of 100 kGy to observe the extent of degradation. UV–Vis and FTIR analysis does not denote generation of any new species within the liquid phase upon irradiation, however the yields of the gaseous by-products have been quantified by Gas Chromatography (GC).

MOBILE ROBOT ENERGY MODELLING INTEGRATED INTO ROS AND GAZEBO-BASED SIMULATION ENVIRONMENT, 66-73.

Mobile robots’ autonomy is limited by the capacity of their batteries;thus, their energy consumption estimation and management areimportant issues to deal with energy minimization techniques, suchas path planning, tasks scheduling etc.

Aeromagnetic and Landsat-8 data interpretation for structural and hydrothermal alteration mapping along the Central and Southern Eastern Desert boundary, Egypt

Pan-African basement rocks cover the study area along the boundary between Central and Southern Eastern Desert with small exposed sedimentary sequences. Several vein-type gold mineralization with hydrothermal alteration zones have long been known in the study area. Aeromagnetic and remote sensing imagery data were integrated for mapping the structural elements and hydrothermal alteration zones related to gold mineralization. By aeromagnetic imagery inspection, the structural complexity and porphyry intrusions density maps have been effectively constructed by applying Enhanced Center for Exploration Targeting (CET) techniques. Major NW shear zones along with NNW-SSE, WNW-ESE, NS, and NE-SW are the main trends controlling gold mineralization. On the other hand, applying band ratios and constrained energy minimization (CEM) technique on Landsat-8 data pointed out alteration minerals associated with the hydrothermal fluids. Calcite, sericite, and chlorite are the common alteration minerals detected, while goethite and epidote are less common in alteration zones of the area under study. A combination of CET structural complexity, circular features, and alteration zones produced a potential mineralization map pointing out numerous prospective zones for mineralizing gold. The predictive map was validated by projecting the known gold prospects at the study area, reflecting an agreement between the known gold occurrences and the higher classes of the predictive zone. The discussed techniques in the current research can be adopted as a direct indicator for structural mapping and detecting the alteration zones related to gold mineralization elsewhere.

A comparison of Fourier and POD mode decomposition methods for high-speed Hall thruster Video

Hall thrusters are susceptible to large-amplitude plasma oscillations that impact thruster performance and lifetime and are also difficult to model. High-speed cameras are a popular tool to study these dynamics due to their spatial resolution and are a popular, nonintrusive complement to in-situ probes. High-speed video of thruster oscillations can be isolated (decomposed) into coherent structures (modes) with algorithms that help us better understand the evolution and interactions of each. This work provides an introduction, comparison, and step-by-step tutorial on established Fourier and newer Proper Orthogonal Decomposition (POD) algorithms as applied to high-speed video of the unshielded H6 6-kW laboratory model Hall thruster. From this dataset, both sets of algorithms identify and characterize $m=0$ and $m>0$ modes in the discharge channel and cathode regions of the thruster plume, as well as mode hopping between the $m=3$ and $m=4$ rotating spokes in the channel. The Fourier methods are ideal for characterizing linear modal structures and also provide intuitive dispersion relationships. By contrast, the POD method tailors a basis set using energy minimization techniques that better captures the nonlinear nature of these structures and with a simpler implementation. Together, the Fourier and POD methods provide a more complete toolkit for studying Hall thruster plasma instabilities and mode dynamics. Specifically, we recommend first applying POD first to quickly identify the nature and location of global dynamics and then using Fourier methods to isolate dispersion plots and other wave-based physics.

Micromechanical Analysis in Applications of Active Mono-Slip and Continuum Dislocations in the MDCM

The key purpose of this paper is to propose a mono-slip-dependent continuum dislocation method for matrix-dominated composite structure (MDCS) analysis. The methodology focuses on dissipation energy theories utilizing a continuum dislocation method (CDM) integrated with small-strain kinematics. The mathematical modeling of the CDM comprises active mono-slip system formulations, thermodynamic dislocation analysis (TDA), free energy dissipation analysis, and the progression of dislocations. Furthermore, zero and non-zero energy dissipation due to dislocation progression is formulated by using an energy minimization technique with variational calculus. The numerical analysis, performed with Wolfram Mathematica©, is presented using zero and non-zero energy dissipation energy formulations. The outcomes indicate that the formulated approach can be effective for obtaining optimal analysis results for matrix-dominated composite (MDC) materials with a mono-slip system. In sum, this study confirms the feasibility of using the proposed approach to investigate MDCS with inclusions.

Unmanned surface vehicle energy consumption modelling under various realistic disturbances integrated into simulation environment

Energy consumption estimation and management of the maritime Unmanned Surface Vehicles (USV) is an important issue to deal with energy minimization techniques such as path planning, tasks scheduling, etc. In this paper, we introduce the energy consumption parameter in USV simulation through three contributions: 1) An analytic USV's energy consumption model is developed based on the three-degrees-of-freedom dynamic model of surface vessels. 2) A reverse engineering approach is proposed to identify the previously used dynamic model parameters based on a set of scenarios executed within a recent simulation environment. 3) The simulator engine is enriched with the consumption modelling tools such that the power absorbed by the USV is instantaneously calculated and returned; thus, the required energy of any predefined scenario is available as a new simulation result.

Estimating the moments of a random forcing field of 2D fluid from image sequences using energy minimisation method

In this paper, we consider a version of energy minimisation technique applied to images of a 2D fluid flow. The two Navier–Stokes equations describe the static flow of a 2D fluid in terms of velocity field, (u, v), pressure field, p and forcing field, f. Apart from these two Navier–Stokes equations, we have the incompressibility condition to evaluate the three parameters. While implementing this system, random noise (usually non-Gaussian) creeps into the random force field underline{f}(x,y). We denote this random field by delta underline{f}(x,y) having zero mean and non-trivial second and third moments. We assume that these two moments are known except for some unknown parameters underline{theta } (like mean, variance, co-variance, skewness, etc.) which we wish to estimate. In the proposed technique, we first calculate the approximate shift in the average fluid energy defined as a quadratic function of the velocity field. The energy method then requires that underline{theta } should be such that this average increases in the energy due to the random forcing component be minimised. We should, however, note that the standard statistical approach to force field estimation is to calculate the velocity field as a function of the force field and then adopt the statistical moment matching technique. Such an approach assumes spatial ergodicity of the velocity field. This approach to force field estimation is more accurate from the statistical moment matching view point but works only if velocity measurements are made. The former technique of energy minimisation does not require any velocity measurements. Both of these techniques are discussed in this paper and MATLAB simulations presented.

Examining the Forecasting Movement of Palm Oil Price Using RBFNN-2SATRA Metaheuristic Algorithms for Logic Mining

RBFNN with different algorithms and the logic mining method for forecasting constitute the most significant tools and techniques, which are used to demonstrate the economic growth in the country. Upon using monthly data spanning from Jan 2016 to March 2020 for the manufacturing of palm oil, the results mainly revealed that RBFNN-2SATRAAIS is the most accurate and efficient model compared to RBFNN-2SATRAPSO and RBFNN-2SATRAGA in forecasting the price of palm oil. RBFNN-2SATRAAIS had the highest average overall accuracy (90.476190%), followed by RBFNN-2SATRAPSO (85.71%), and RBFNN-2SATRAGA (76.19%). The results also showed that the spot price of palm oil is highly influenced by the total exports and imports, as well as the production of palm oil, its end-stocks, and Malaysia's real, effective exchange rate. By using the data mining technique based on the energy minimization technique, the logical mining task was carried out. The empirical findings provided useful insights into decision-making and policy implementations, including the formulation of strategies to help the industry in dealing with constant price fluctuations and, thereby, enabling the Malaysian palm oil industry to continue its domination over the international market.

Tuning the electronic properties of C12A7 via Sn doping and encapsulation

Cation doping in electride materials has been recently considered as a viable engineering strategy to enhance the electron concentration. Here we apply density functional theory-based energy minimisation techniques to investigate the thermodynamical stability and the electronic structures of Sn-doped and Sn-encapsulated in stoichiometric and electride forms of C12A7. The present calculations reveal that encapsulation is exoergic and doping is endoergic. The electride form is more energetically favourable than the stoichiometric form for both encapsulation and doping. Encapsulation in the electride results a significant electron transfer (1.52 |e|) from the cages consisting of extra-framework electrons to the Sn atom. The Sn forms almost + 4 state in the doped configuration in the stoichiometric form as reported for the electride form in the experiment. Similar charge state for the Sn is expected for the electride form though the extra-framework electrons localised on the Sn. Resultant complexes of both forms are magnetic. Whilst significant Fermi energy shift is noted for the doping in C12A7:O2− (by 1.60 eV) towards the conduction band, there is a very small shift (0.04 eV) is observed in C12A7:e−. Future experimental study on the encapsulation of Sn in both forms of C12A7 and doping of Sn in the stoichiometric form can use this information to interpret their experimental data.