The mechanical properties and micro-forming of the Au-based bulk metallic glasses are reported in this thesis. The original ingots were prepared by arc melting and induction melting. The Au49Ag5.5Pd2.3Cu26.9Si16.3 bulk metallic glasses with different diameters 2 and 3 mm were successfully fabricated by conventional copper mold casting in an inert atmosphere. By the observation of transmission electron microscopy diffraction pattern, there are crystalline phases among the amorphous matrix phase. The Au49Ag5.5Pd2.3Cu26.9Si16.3 bulk metallic glass shows the high glass forming ability and good thermal stability. By the Differential scanning calorimetry (DSC) results, the values of£G£Vx and £G£Vm are 50 and 21 K. And Trg, £^, and £^m values for the Au49Ag5.5Pd2.3Cu26.9Si16.3 bulk metallic glass (BMG) at the heating rate of 0.67 K/s are 0.619, 0.430 and 0.774, respectively. The mechanical properties of Au49Ag5.5Pd2.3Cu26.9Si16.3 in terms of compression testing are examined using an Instron 5582 universal testing machine. Room temperature compression tests are conducted on specimens with various strain rates. To know the size effect, the micro-pillars were made by using a focus ion beam (FIB) technique. The micro-pillars were under the tests of compression at different strain rates, compared with macro-scale 2 mm rod specimens. In contrast to the brittle fracture in a bulk sample, these micro-pillar specimens show significant plasticity. The morphology of compressed pillar samples indicates that the number of shear bands increased with the sample size and strain rates.

Significant quantities of hydrocarbons are found in complex salt environments. One of the modern challenges of exploration and production activities is to image below salt. This challenge arises from the complexities of salt structures, weak primaries from the subsalt, and the interference of free-surface multiples with the weak primaries of the subsalt. To effectively process subsalt data, we need to develop a method of attenuating free-surface multiples that preserves the amplitude and phase of primaries and does not introduce artifacts at either near and far offsets. In this thesis, we will demonstrate that the weak primaries of the subsalt can be preserved while attenuating free-surface multiples. The method used for the demonstration is the bottom-multiple generator (BMG) reflector approximation. This technique requires that a portion of the data containing only primaries be defined. A multidimensional convolution of the data containing only primaries with the actual data will predict free-surface multiples and hence is used to attenuate free-surface multiples from the actual data. This method is one of the most effective methods for attenuating free-surface multiples; however, the method requires muting data at the BMG location. One of the issues investigated in this thesis, is to establish the sensitivity of the BMG demultiple technique when the mute at the BMG location end up cutting some seismic reflections, which can be the case in complex environments such as the Gulf of Mexico and Gulf of Guinea, where freesurface multiples interfere with primaries. For this investigation, we generated synthetic data through the 2D elastic finite-difference modeling technique. The synthetic seismic data contain primaries; free-surface multiples, and internal multiples, and direct waves acquired over a 2D geological model that depicts a shallow-water geology. In this thesis, we also investigate if the first step of the BMG demultiple technique can sufficiently attenuate free-surface multiples. For this investigation, we designed a 2D geological model, which depicts the deep offshore environment, and we generated synthetic data through the 2D elastic finite-difference modeling technique. After performing the various investigations mentioned above, the following conclusions were made, that the demultiple result is not affected when the mute at the BMG location end up cutting some primaries, that the first step of the BMG demultiple technique is not sufficient for the demultiple, and that the weak subsalt primaries are preserved during demultiple processes. We compared shot gathers and zero offset data before and after the demultiple.

Ce travail de thèse contribue à étudier le comportement élasto-plastique au rayage du verre métallique massif Zr55Cu30Al10Ni5 par la méthode des éléments finis (MEF) et expérimentaux. Le critère de plasticité de type Drucker-Prager est utilisé, une méthode de remaillage est proposée afin d'éviter le problème de convergence qui vient de la grand contrainte cisaillement. Pour cela, le comportement au rayage est étudié par le changement de l'angle d'attaque, du coefficient de frottement local entre le matériau et l'indenteur. Ces influences sont valorisés par l'évolution des forces rayures, par la morphologie de l'échantillon, et ils montrent le mécanisme de changement des modes de rayage : du labourage à l'usinage avec la formation des copeaux. Les essais sont réalisés à l'aide de l'équipement du LARMAUR : Un nano-triboindenteur de type Hysitron Ti-950. La comparaison des résultats simulés et expérimentaux nous permettre d'évaluer la loi comportement utilisé et d'estimer la valeur de coefficient de frottement entre le matériau et l'indenteur. / This thesis contributes to modeling of the elasto-plastic behavior in scratch test of a Zr55Cu30Al10Ni5 Bulk Metallic Glasses (BMG) by the finite element method and by experimental testing. The Drucker-Prager criterion is used and dedicated re-meshing method is proposed in order to solve the numerical problems classically encountered when modeling such a test and this with a controlled element population. The influence of friction coefficient as well as the angle of attack are investigated to understand the occurrence of two deformation mechanisms : plowing and cutting. The test is realized by using the LARMAUR's equipment : nano triboindenter Hysitron Ti-950. The result of experimental and simulation are confronted the finite element simulations.

Brightness enhancement film (BEF) has been manufactured in foreign factories for backlight module of liquid crystal display (LCD), then it only have some interior factories to put in exploitation. Because of this, the study presents a precision machining and new step-imprint hot embossing process to fabricate pyramid-shaped microlens array. First, a tungsten (W) steel material is manufactured by precision machining. The dimension of a pyramid-shaped microlens on the W steel are about 300 £gm in the base line of three side, 222 £gm in bevel edge of three side, 139 £gm in height of bottom to top, 180 £gm in pitch of the left and right sides between two pyramid-shaped microlens tips, and 85 degree in top angle of three bevel. The W steel mold is used as the first mold. Second, the pyramid peaks of first mold pattern are transferred on bulk metallic glass (BMG) using step-imprint hot embossing method with position adjustable mechanism to form a smaller concave pyramid-shaped microlens array, it can avoid arc radius of cutting tools which is used as the second mold. Another the pyramid peaks are transferred on PMMA (Polymethylmethacrylate) for concave pyramid-shaped microlens array of optical film in the hot embossing system. Finally, the second mold is fabricated to emboss convex pyramid-shaped microlens array of optical film on PMMA. The foregoing method is provided for backlight module of optical films process.

The master´s thesis assesses the way of cash management in an international company focused on cash pooling and netting. On the basis of an analysis of current situation and with respect to impact of cash management there is offered proposal for netting implementation in the selected company.

No description available.

A soja é uma cultura de importância econômica fundamental e o Brasil está entre os principais produtores mundiais. A ferrugem asiática, causada pelo fungo Phakopsora pachyrhizi, é uma doença relativamente recente no Brasil e pode causar grandes perdas na cultura da soja, representadas pela diminuição da produtividade e pelas despesas com aquisição e aplicação de fungicidas. Já existem algumas fontes de genes de resistência vertical para esta doença, mas também já existem casos de quebra de resistência de alguns destes genes principais. A tolerância, definida como a capacidade da planta em suportar o ataque do patógeno sem apresentar perdas significativas, é uma estratégia complementar que pode ser utilizada no controle da ferrugem. O objetivo desta pesquisa foi estudar a tolerância à ferrugem asiática em genótipos experimentais derivados de 45 cruzamentos em dialelo 10 x 10 do Setor de Genética Aplicada às Espécies Autógamas do Departamento de Genética/ESALQ/USP por meio de métodos de estimação do efeito ferrugem e da estabilidade fenotípica em combinações de manejos de fungicidas, locais e anos agrícolas, além de identificar linhagens promissoras para inclusão em futuros programas de melhoramento. Os delineamentos experimentais utilizados foram blocos aumentados de Federer nos anos 2011/12 e 2012/13 e blocos ao acaso estratificados em conjuntos em 2013/14. Em cada ano e local foram realizados dois experimentos: manejo 1, com aplicações de fungicidas para o controle da ferrugem e outras doenças fúngicas, incluindo as doenças de final de ciclo; manejo 2, com apenas o controle de outras doenças fúngicas, excluindo-se a ferrugem. O contraste entre estes dois manejos com fungicidas permitiu uma estimativa da tolerância. Além disso, foram utilizadas as medidas de estabilidade-bmg (Pi) e ecovalência (Wi) para quantificar a tolerância relativa entre genótipos. Foram pesquisadas 225 progênies F2:7 em 2011/12; 675 linhagens F7:8 em 2012/13 e as melhores 225 linhagens F7:9 em 2013/14. Os resultados obtidos permitiram concluir que: a) houve evidências claras de tolerância à ferrugem asiática entre e dentro de cruzamentos; b) a estratégia de utilizar a comparação entre diferentes manejos de fungicidas para estimar a tolerância (efeito ferrugem) foi útil para a seleção, mas sofreu instabilidade, apresentando baixas correlações entre anos agrícolas; c) os métodos da estabilidade baseada no melhor genótipo (bmg) e da ecovalência complementaram as informações obtidas do efeito ferrugem e auxiliaram na seleção de linhagens tolerantes; d) avaliações iniciais da severidade de ferrugem (nota de ferrugem NF1) apresentaram baixa precisão, tornando recomendável concentrar as avaliações da severidade após maior tempo de infecção (NF2 e NF3) para melhor eficácia na estimação da tolerância; e) a tolerância estimada pelo peso de cem sementes mostrou baixa correlação com a tolerância estimada para produtividade de grãos, de maneira que o uso combinado dos dois critérios melhorou a eficiência da seleção para tolerância e produtividade; f) na seleção simulada foram identificadas 48 linhagens promissoras para tolerância à ferrugem e produtividade, correspondente a um porcentual de seleção de cerca de 22%. / Soybean is an economically important culture and Brazil is among the largest world producers. Asian rust, caused by the fungus Phakopsora pachyrhizi, is a relatively new disease in Brazil and can cause large losses in this culture, represented by yield decreases and increases in costs for fungicide applications. There are some sources of vertical resistance genes for this disease, but there are also cases of resistance breakdown for some of these main genes. Tolerance, defined as the capacity of plants to endure a pathogen attack without significant losses, is a complementary strategy that can be used to control rust. The objective of this research was to study tolerance to Asian rust in experimental genotypes derived from 45 crosses in a 10 x 10 diallel design developed at the Sector of Applied Genetics to Self- Pollinated Crops, Department of Genetics/ESALQ/USP through methods of estimation of the rust effect and of phenotypic stability in combinations of fungicide managements, locations and years, besides identifing promising lines for inclusion in future breeding programs. The experimental designs used were Federer\'s augmented blocks in 2011/12 and 2012/13 and a randomized block design stratified in sets in 2013/14. In each year and location two experiments were performed: management 1, with the application of fungicides to control rust and other fungal diseases, including late season leaf diseases; management 2, only controlling other fungal disease, excluding rust. The contrast between these two managements allowed for an estimate of tolerance. Besides that, the stability based on the best genotype (Pi) and ecovalence (Wi) measurements were also used to estimate relative tolerance between genotypes. In 2011/12 225 F2:7 progenies were evaluated; in 2012/13 675 F7:8 lines were evaluated and the best 225 F7:9 lines were evaluated in 2013/14. The results let to the following conclusions: a) there was clear evidence of tolerance to Asian rust among and within crosses; b) the strategy of comparing different fungicide managements to estimate tolerance (rust effect) was useful, but suffered instability, presenting low correlations among years; c) the methods of superiority or stability based on the best genotype (bmg) and ecovalence complemented the information based on the rust effect and aided in the selection of tolerant lines; d) initial evaluations for rust severity (rust score NF1) had low precision and it was recommended to concentrate on rust tolerance evaluations after longer periods of infection (NF2 and NF3); e) tolerance estimated by means of hundred-seed weights had low correlation with tolerance estimated by seed yield, therefore the combined use of both criteria improved the efficiency of selection for tolerance and seed yield; f) in the simulated selection 48 promising lines were identified for rust tolerance and seed yield, corresponding to approximately 22% selection percentage.

Bulk metallic glasses represent a newly developed class of materials. Some metallic glasses possess combinations of very good or even excellent mechanical, chemical and/or magnetic properties uncovering a broad range of both industrial and vital applications. Besides all advantages metallic glasses have also significant drawbacks, which have to be overcome for commercial application. Apart from low critical thicknesses, brittleness and chemical inhomogeneity one important problem of metallic glasses is the lack of an appropriate theory describing their structure. Therefore, the search for new glass forming compositions as well as the improving of existing ones occurs at present by means of trial-and-error methods and a number of empirical rules. Empirical rules for good glass-forming ability of bulk metallic glasses have been established in recent years by Inoue and Egami. Two of these rules, (i) Preference of more than 3 elements and (ii) Need of more than 12 % radii difference of base elements, seem to be closely related to topological (geometrical) criteria. From this point of view topological parameters contribute essentially to the glass-forming ability. The third rule (iii) demands a negative mixing enthalpy of base elements and refers to the chemical interaction of the atoms. The generalized Bernal’s model (hard-sphere approximation) was used for the simulation of monatomic, binary and multi-component structures. Excluding chemical interaction, this method allows the investigation of topological criteria of the glass-forming ability. Bernal’s hard-sphere model was shown to be a good approximation for bulk metallic glasses and metallic liquids and yields good coincidence of experimental and theoretical results. • The Laguerre (weighted Voronoi) tessellation technique was used as the main tool for the structural analysis. Due to very complex structures it is impossible to determine the structure of bulk metallic glasses by means of standard crystallographic methods. • Density, radial distribution function, coordination number and Laguerre polyhedra analysis confirm amorphism of the simulated structures and are in a good agreement with available experimental results. • The ratio of the fractions of non-crystalline to crystalline Laguerre polyhedra faces was introduced as a new parameter . This parameter reflects the total non-crystallinity of a structure and the amount of atomic rearrangements necessary for crystallization. Thus, the parameter is related to the glass-forming ability. It depends strongly on composition and atomic size ratio and indicates a region of enhanced glass-forming ability in binary mixtures at 80 % of small atoms and atomic size ratio of 1.3. All found maxima of parameter for ternary mixtures have compositions and size ratios which are nearly the same as for the binary mixture with the maximum value of . • A new method of multiple-compression was introduces in order to test the tendency towards densification and/or crystallization of the simulated mixtures. The results of the multiple-compression of monatomic mixtures indicate a limiting value of about 0.6464 for the density of the amorphous state. Further densification is necessarily connected to formation and growth of nano-crystalline regions. • The results of the multiple-compression for binary mixtures shows a new maximum of the density at the size ratio of 1.3 and 30 % to 90 % of small atoms. This maximum indicates a local island of stability of the amorphous state. The maximal receivable density without crystallization in this region is enhanced compared to neighbouring regions. • The comparison of the parameter and the density to the distribution of known binary bulk metallic (metal-metal) glasses clearly shows that both parameters play a significant role in the glass-forming ability. • The polyhedra analysis shows regions with enhanced fraction of the icosahedral short-range order (polyhedron (0, 0, 12)) in the binary systems with the maximum at 80 % of small atoms and size ratio of 1.3. Comparison of the distribution of the (0, 0, 12) polyhedra to the distribution of known binary metallic (metal-metal) glasses and to the parameter shows that icosahedral short-range order is not related to the glass-forming ability and is a consequence of the high non-crystallinity (high values of ) of the mixtures and non vice versa. Results for the ternary mixtures confirm this observation. • A new approach for the calculation of the mixing enthalpy is proposed. The new method is based on the combination of Miedema’s semi-empirical model and Laguerre tessellation technique. The new method as well as 6 other methods including the original Miedema’s model were tested for more than 1400 ternary and quaternary alloys. The results show a better agreement with experimental values of the mixing enthalpy for the new model compared to all other methods. The new model takes into account the local structure at atom site and can be applied to all metallic alloys without additional extrapolations if the atomic structure of the considered alloy is known from a suitable atomistic structure model.

A soja é uma cultura de importância econômica fundamental e o Brasil está entre os principais produtores mundiais. A ferrugem asiática, causada pelo fungo Phakopsora pachyrhizi, é uma doença relativamente recente no Brasil e pode causar grandes perdas na cultura da soja, representadas pela diminuição da produtividade e pelas despesas com aquisição e aplicação de fungicidas. Já existem algumas fontes de genes de resistência vertical para esta doença, mas também já existem casos de quebra de resistência de alguns destes genes principais. A tolerância, definida como a capacidade da planta em suportar o ataque do patógeno sem apresentar perdas significativas, é uma estratégia complementar que pode ser utilizada no controle da ferrugem. O objetivo desta pesquisa foi estudar a tolerância à ferrugem asiática em genótipos experimentais derivados de 45 cruzamentos em dialelo 10 x 10 do Setor de Genética Aplicada às Espécies Autógamas do Departamento de Genética/ESALQ/USP por meio de métodos de estimação do efeito ferrugem e da estabilidade fenotípica em combinações de manejos de fungicidas, locais e anos agrícolas, além de identificar linhagens promissoras para inclusão em futuros programas de melhoramento. Os delineamentos experimentais utilizados foram blocos aumentados de Federer nos anos 2011/12 e 2012/13 e blocos ao acaso estratificados em conjuntos em 2013/14. Em cada ano e local foram realizados dois experimentos: manejo 1, com aplicações de fungicidas para o controle da ferrugem e outras doenças fúngicas, incluindo as doenças de final de ciclo; manejo 2, com apenas o controle de outras doenças fúngicas, excluindo-se a ferrugem. O contraste entre estes dois manejos com fungicidas permitiu uma estimativa da tolerância. Além disso, foram utilizadas as medidas de estabilidade-bmg (Pi) e ecovalência (Wi) para quantificar a tolerância relativa entre genótipos. Foram pesquisadas 225 progênies F2:7 em 2011/12; 675 linhagens F7:8 em 2012/13 e as melhores 225 linhagens F7:9 em 2013/14. Os resultados obtidos permitiram concluir que: a) houve evidências claras de tolerância à ferrugem asiática entre e dentro de cruzamentos; b) a estratégia de utilizar a comparação entre diferentes manejos de fungicidas para estimar a tolerância (efeito ferrugem) foi útil para a seleção, mas sofreu instabilidade, apresentando baixas correlações entre anos agrícolas; c) os métodos da estabilidade baseada no melhor genótipo (bmg) e da ecovalência complementaram as informações obtidas do efeito ferrugem e auxiliaram na seleção de linhagens tolerantes; d) avaliações iniciais da severidade de ferrugem (nota de ferrugem NF1) apresentaram baixa precisão, tornando recomendável concentrar as avaliações da severidade após maior tempo de infecção (NF2 e NF3) para melhor eficácia na estimação da tolerância; e) a tolerância estimada pelo peso de cem sementes mostrou baixa correlação com a tolerância estimada para produtividade de grãos, de maneira que o uso combinado dos dois critérios melhorou a eficiência da seleção para tolerância e produtividade; f) na seleção simulada foram identificadas 48 linhagens promissoras para tolerância à ferrugem e produtividade, correspondente a um porcentual de seleção de cerca de 22%. / Soybean is an economically important culture and Brazil is among the largest world producers. Asian rust, caused by the fungus Phakopsora pachyrhizi, is a relatively new disease in Brazil and can cause large losses in this culture, represented by yield decreases and increases in costs for fungicide applications. There are some sources of vertical resistance genes for this disease, but there are also cases of resistance breakdown for some of these main genes. Tolerance, defined as the capacity of plants to endure a pathogen attack without significant losses, is a complementary strategy that can be used to control rust. The objective of this research was to study tolerance to Asian rust in experimental genotypes derived from 45 crosses in a 10 x 10 diallel design developed at the Sector of Applied Genetics to Self- Pollinated Crops, Department of Genetics/ESALQ/USP through methods of estimation of the rust effect and of phenotypic stability in combinations of fungicide managements, locations and years, besides identifing promising lines for inclusion in future breeding programs. The experimental designs used were Federer\'s augmented blocks in 2011/12 and 2012/13 and a randomized block design stratified in sets in 2013/14. In each year and location two experiments were performed: management 1, with the application of fungicides to control rust and other fungal diseases, including late season leaf diseases; management 2, only controlling other fungal disease, excluding rust. The contrast between these two managements allowed for an estimate of tolerance. Besides that, the stability based on the best genotype (Pi) and ecovalence (Wi) measurements were also used to estimate relative tolerance between genotypes. In 2011/12 225 F2:7 progenies were evaluated; in 2012/13 675 F7:8 lines were evaluated and the best 225 F7:9 lines were evaluated in 2013/14. The results let to the following conclusions: a) there was clear evidence of tolerance to Asian rust among and within crosses; b) the strategy of comparing different fungicide managements to estimate tolerance (rust effect) was useful, but suffered instability, presenting low correlations among years; c) the methods of superiority or stability based on the best genotype (bmg) and ecovalence complemented the information based on the rust effect and aided in the selection of tolerant lines; d) initial evaluations for rust severity (rust score NF1) had low precision and it was recommended to concentrate on rust tolerance evaluations after longer periods of infection (NF2 and NF3); e) tolerance estimated by means of hundred-seed weights had low correlation with tolerance estimated by seed yield, therefore the combined use of both criteria improved the efficiency of selection for tolerance and seed yield; f) in the simulated selection 48 promising lines were identified for rust tolerance and seed yield, corresponding to approximately 22% selection percentage.

Bulk metallic glasses represent a newly developed class of materials. Some metallic glasses possess combinations of very good or even excellent mechanical, chemical and/or magnetic properties uncovering a broad range of both industrial and vital applications. Besides all advantages metallic glasses have also significant drawbacks, which have to be overcome for commercial application. Apart from low critical thicknesses, brittleness and chemical inhomogeneity one important problem of metallic glasses is the lack of an appropriate theory describing their structure. Therefore, the search for new glass forming compositions as well as the improving of existing ones occurs at present by means of trial-and-error methods and a number of empirical rules. Empirical rules for good glass-forming ability of bulk metallic glasses have been established in recent years by Inoue and Egami. Two of these rules, (i) Preference of more than 3 elements and (ii) Need of more than 12 % radii difference of base elements, seem to be closely related to topological (geometrical) criteria. From this point of view topological parameters contribute essentially to the glass-forming ability. The third rule (iii) demands a negative mixing enthalpy of base elements and refers to the chemical interaction of the atoms. The generalized Bernal’s model (hard-sphere approximation) was used for the simulation of monatomic, binary and multi-component structures. Excluding chemical interaction, this method allows the investigation of topological criteria of the glass-forming ability. Bernal’s hard-sphere model was shown to be a good approximation for bulk metallic glasses and metallic liquids and yields good coincidence of experimental and theoretical results. • The Laguerre (weighted Voronoi) tessellation technique was used as the main tool for the structural analysis. Due to very complex structures it is impossible to determine the structure of bulk metallic glasses by means of standard crystallographic methods. • Density, radial distribution function, coordination number and Laguerre polyhedra analysis confirm amorphism of the simulated structures and are in a good agreement with available experimental results. • The ratio of the fractions of non-crystalline to crystalline Laguerre polyhedra faces was introduced as a new parameter . This parameter reflects the total non-crystallinity of a structure and the amount of atomic rearrangements necessary for crystallization. Thus, the parameter is related to the glass-forming ability. It depends strongly on composition and atomic size ratio and indicates a region of enhanced glass-forming ability in binary mixtures at 80 % of small atoms and atomic size ratio of 1.3. All found maxima of parameter for ternary mixtures have compositions and size ratios which are nearly the same as for the binary mixture with the maximum value of . • A new method of multiple-compression was introduces in order to test the tendency towards densification and/or crystallization of the simulated mixtures. The results of the multiple-compression of monatomic mixtures indicate a limiting value of about 0.6464 for the density of the amorphous state. Further densification is necessarily connected to formation and growth of nano-crystalline regions. • The results of the multiple-compression for binary mixtures shows a new maximum of the density at the size ratio of 1.3 and 30 % to 90 % of small atoms. This maximum indicates a local island of stability of the amorphous state. The maximal receivable density without crystallization in this region is enhanced compared to neighbouring regions. • The comparison of the parameter and the density to the distribution of known binary bulk metallic (metal-metal) glasses clearly shows that both parameters play a significant role in the glass-forming ability. • The polyhedra analysis shows regions with enhanced fraction of the icosahedral short-range order (polyhedron (0, 0, 12)) in the binary systems with the maximum at 80 % of small atoms and size ratio of 1.3. Comparison of the distribution of the (0, 0, 12) polyhedra to the distribution of known binary metallic (metal-metal) glasses and to the parameter shows that icosahedral short-range order is not related to the glass-forming ability and is a consequence of the high non-crystallinity (high values of ) of the mixtures and non vice versa. Results for the ternary mixtures confirm this observation. • A new approach for the calculation of the mixing enthalpy is proposed. The new method is based on the combination of Miedema’s semi-empirical model and Laguerre tessellation technique. The new method as well as 6 other methods including the original Miedema’s model were tested for more than 1400 ternary and quaternary alloys. The results show a better agreement with experimental values of the mixing enthalpy for the new model compared to all other methods. The new model takes into account the local structure at atom site and can be applied to all metallic alloys without additional extrapolations if the atomic structure of the considered alloy is known from a suitable atomistic structure model.