δ-Bonding and Spin-Orbit Coupling Make SrAg4Sb2 a Topological Insulator.

Bonding interactions and spin-orbit coupling in the topological insulator SrAg4Sb2 are investigated using DFT with orbital projection analysis. Ag-Ag delta bonding is a key ingredient in the topological insulating state because the 4 d x y + 4 d x 2 - y 2 ${4d_{xy} + 4d_{x^2 - y^2 } }$ delta antibonding band forms a band inversion with the 5 s sigma bonding band. Spin-orbit coupling is required to lift d orbital degeneracies and lower the antibonding band enough to create the band inversion. These bonding effects are enabled by a longer-than-covalent Ag-Ag distance in the crystal lattice, which might be a structural characteristic of other transition metal based topological insulators. A simplified model of the topological bands is constructed to capture the essence of the topological insulating state in a way that may be engineered in other materials.

As predicted and more: modulated channel occupation in YZn5+x.

Like many complex intermetallic phases, the crystal structures of REZn5+x compounds (RE = lanthanide or Group 3 element) based on the EuMg5 type have gradually unfolded. The original reports described a complex hexagonal structure with an unusual combination of tetrahedrally close-packed regions and open spaces, as well as observations of superstructure reflections. More recently, we reinvestigated the structure of YZn5, reclassifying it as the EuMg5+x-type compound YZn5+x (x ≃ 0.2), in which disordered channels run along c through the spaces formerly considered open. In addition, DFT-chemical pressure (DFT-CP) analysis of ordered models of YZn5+x highlighted paths for communication between neighboring channels setting the stage for superstructure formation. Herein, the experimental elucidation of this effect is presented with the synthesis and structure determination of a modulated form of YZn5+x. By slow-cooling samples of YZn5+x from the annealing temperature, crystals were obtained that exhibit satellite reflections with the modulation wavevector q = {1\over 3}a* + {1\over 3}b* + 0.3041c*. Structure solution and refinement using a (3+1)D model in superspace group P31c({1\over 3}\,\!{1\over 3}σ3)00s reveals incommensurate order in the structure's channels. Here, two Zn sites associated with the channels are present, each with discontinuous atomic domains that are slanted in the x3x4 plane. Their slanting corresponds to adjustments along the c axis for the presence or absence of close neighbors along that axis, while the occupation patterns of neighboring channels are shifted by {1\over 3} of the modulation period. These features follow earlier predictions from CP analysis, highlighting how this approach can be used predictively in search of new phenomena.

Seam Properties of Overlap Welding Strategies from Copper to Aluminum Using Green Laser Radiation for Battery Tab Connections in Electric Vehicles.

Laser beam welding of metals has progressed dramatically over the last years mainly arising from joining applications in the field of electromobility. Allowing the flexible, automated manufacturing of mechanically, electrically, and thermally stressed components, the process is more frequently applied for joining highly reflective materials, for example for battery tab and busbar connections. The local, non-contact energy input favors this welding technology; however, joining of copper and aluminum sheets still poses a challenge due to the physical properties of the joining partners and intermetallic phases from dissimilar metal interaction, which reduce seam performance. The use of green laser radiation compared to infrared laser radiation offers the advantage of a significantly increased absorptivity for copper materials. A changed incoupling behavior is observed, and a lower deep penetration threshold has been already proven for 515 nm wavelength. When copper and aluminum are welded with the former as top sheet, this welding mode is essential to overcome limited aspect ratios from heat conduction welding. However, the opportunities of applying these beam sources in combination with spatial power modulation to influence the interconnection area of copper-aluminum joints have not yet been studied. The aim of this work is therefore to investigate the seam properties and process stability of different overlap welding strategies using green laser radiation for dissimilar metal welding. A microstructural analysis of the different fusion zones and mechanical strength of the joints are presented. In addition, the experimental parameter sets were analyzed regarding their application in battery module busbars by examining the electrical resistance and temperature distribution after welding. A parameter window was identified for all investigated welding strategies, with the stitched seam achieving the most stable results.

Effect of Isothermal Holding at 750 °C and 900 °C on Microstructure and Properties of Cast Duplex Stainless Steel Containing 24% Cr-5% Ni-2.5% Mo-2.5% Cu.

Changes in the microstructure and selected mechanical properties of two-phase ferritic-austenitic cast steel containing 24% Cr-5% Ni-2.5% Mo-2.5% Cu after isothermal holding at 750 °C and 900 °C are presented. The choice of the two temperatures of isothermal holding was dictated by the precipitation of brittle phases within a range of 600 °C-950 °C, while the holding time depended on the casting cooling time in the mould. Changes in the microstructure were studied by the SEM-EDS and XRD techniques. As a result of the decomposition of the eutectoid ferrite, a σ phase that was rich in Cr, Mo, and Ni and a secondary γ2 austenite with Widmannstätten morphology were formed. Compared to the austenite, the chemical composition of the secondary γ2 austenite showed depletion of Cr and Mo. In the ferrite, the presence of Cr2N nitrides was also detected. After a holding time of 3 h at 900 °C, these phases increased the hardness of the tested cast steel to approximately 275 HV10. At the same time, the UTS value was recorded to decrease with the increasing temperature based on the tensile test results. At 750 °C, the value of UTS was 250 MPa for 1 h of holding and 345 MPa for 3 h of holding. These values decreased after increasing the temperature to 900 °C and amounted to 139 for 1 h holding and 127 MPa for 3 h holding. It was also found that the elongation values at 750 °C ranged from 7-10%, while they amounted to 35-37% at 900 °C. A fracture analysis of the tested cast steel showed that in the prevailing part, the fractures were made of ductile nature with an arrangement of dimples that is typical for this type of fracture. Non-metallic inclusions that are typical for cast steel (i.e., oxides and nitrides) were also found in the area of the fractures.

Interface Reaction between Molten Al99.7 Aluminum Alloy and Various Tool Steels.

During the die-casting process as well as the hot forming process, the tool is subjected to complex thermal, mechanical, and chemical stresses that can cause various types of damage to different parts of the tool. This study was carried out to determine the resistance of various tool steels, i.e., UTOPMO1, HTCS-130, and W600, in molten Al99.7 aluminum alloy at a temperature of 700 °C. The formation kinetics of the interaction layer between the molten aluminum and tool steels was studied using differential scanning calorimetry. Light and field-emission scanning electron microscopy were used to analyze the thickness and nature of the interaction layers, while thermodynamic calculations using the Thermo-Calc software were used to explain the results. The stability of the HTCS-130 and W600 tool steels is better than the stability of the UTOPMO1 tool steel in the molten Al99.7 aluminum. Two interaction layers were formed, which in all cases indicate an intermetallic Al13Fe4 layer near the aluminum alloy and an intermetallic Al5Fe2 layer near the tool steels, containing small round carbides. It was confirmed that Ni reduces the activity of aluminum in the ferrite matrix and causes a reduction in the thickness of the intermetallic layer.

Precipitation Hardening at Elevated Temperatures above 400 °C and Subsequent Natural Age Hardening of Commercial Al-Si-Cu Alloy.

The precipitation of intermetallic phases and the associated hardening by artificial aging treatments at elevated temperatures above 400 °C were systematically investigated in the commercially available AC2B alloy with a nominal composition of Al-6Si-3Cu (mass%). The natural age hardening of the artificially aged samples at various temperatures was also examined. A slight increase in hardness (approximately 5 HV) of the AC2B alloy was observed at an elevated temperature of 480 °C. The hardness change is attributed to the precipitation of metastable phases associated with the α-Al15(Fe, Mn)3Si2 phase containing a large amount of impurity elements (Fe and Mn). At a lower temperature of 400 °C, a slight artificial-age hardening appeared. Subsequently, the hardness decreased moderately. This phenomenon was attributed to the precipitation of stable θ-Al2Cu and Q-Al4Cu2Mg8Si6 phases and their coarsening after a long duration. The precipitation sequence was rationalized by thermodynamic calculations for the Al-Si-Cu-Fe-Mn-Mg system. The natural age-hardening behavior significantly varied depending on the prior artificial aging temperatures ranging from 400 °C to 500 °C. The natural age-hardening was found to strongly depend on the solute contents of Cu and Si in the Al matrix. This study provides fundamental insights into controlling the strength level of commercial Al-Si-Cu cast alloys with impurity elements using the cooling process after solution treatment at elevated temperatures above 400 °C.

The Effect of Sn Addition on Zn-Al-Mg Alloy; Part I: Microstructure and Phase Composition.

In this study, the addition of Sn on the microstructure of Zn 1.6 wt.% Al 1.6 wt.% Mg alloy was studied. Currently, the addition of Sn into Zn-Al-Mg based systems has not been investigated in detail. Both as-cast and annealed states were investigated. Phase transformation temperatures and phase composition was investigated via DSC, SEM and XRD techniques. The main phases identified in the studied alloys were η(Zn) and α(Al) solid solutions as well as Mg2Zn11, MgZn2 and Mg2Sn intermetallic phases. Addition of Sn enabled the formation of Mg2Sn phase at the expense of MgxZny phases, while the overall volume content of intermetallic phases is decreasing. Annealing did not change the phase composition in a significant way, but higher Sn content allowed more effective spheroidization and agglomeration of individual phase particles.

Image Processing of Mg-Al-Sn Alloy Microstructures for Determining Phase Ratios and Grain Size and Correction with Manual Measurement.

The study of microstructures for the accurate control of material properties is of industrial relevance. Identification and characterization of microstructural properties by manual measurement are often slow, labour intensive, and have a lack of repeatability. In the present work, the intermetallic phase ratio and grain size in the microstructure of known Mg-Sn-Al alloys were measured by computer vision (CV) technology. New Mg (Magnesium) alloys with different alloying element contents were selected as the work materials. Mg alloys (Mg-Al-Sn) were produced using the hot-pressing powder metallurgy technique. The alloys were sintered at 620 °C under 50 MPa pressure in an argon gas atmosphere. Scanning electron microscopy (SEM) images were taken for all the fabricated alloys (three alloys: Mg-7Al-5Sn, Mg-8Al-5Sn, Mg-9Al-5Sn). From the SEM images, the grain size was counted manually and automatically with the application of CV technology. The obtained results were evaluated by correcting automated grain counting procedures with manual measurements. The accuracy of the automated counting technique for determining the grain count exceeded 92% compared to the manual counting procedure. In addition, ASTM (American Society for Testing and Materials) grain sizes were accurately calculated (approximately 99% accuracy) according to the determined grain counts in the SEM images. Hence, a successful approach was proposed by calculating the ASTM grain sizes of each alloy with respect to manual and automated counting methods. The intermetallic phases (Mg17Al12 and Mg2Sn) were also detected by theoretical calculations and automated measurements. The accuracy of automated measurements for Mg17Al12 and Mg2Sn intermetallic phases were over 95% and 97%, respectively. The proposed automatic image processing technique can be used as a tool to track and analyse the grain and intermetallic phases of the microstructure of other alloys such as AZ31 and AZ91 magnesium alloys, aluminium, titanium, and Co alloys.

Manufacturing of Al2O3/Ni/Ti Composites Enhanced by Intermetallic Phases.

In this study, ceramic-metal composites in the Al2O3/Ti/Ni system were fabricated using the slip casting method. Two series of composites with 15 vol.% metal content and different solid phase contents were obtained and examined. A proper fabrication process allows obtaining composites enhanced by intermetallic phases. The microstructure of the base powders, slurries, and sintered composites was analyzed by scanning electron microscope. Analysis of the sedimentation tendency of slurries was carried out. The phase composition of the sintered samples was examined by X-ray diffraction analysis. A monotonic compression test was used to investigate the mechanical properties of the composites. A fractography investigation was also carried out. The research conducted revealed that the slip casting method allows the obtaining of composites enhanced by intermetallic phases (TiNi, Ni3Ti). The results show the correlation between solid-phase content, microstructure, and mechanical properties of the composites.

Thermal Unequilibrium of PdSn Intermetallic Nanocatalysts: From In Situ Tailored Synthesis to Unexpected Hydrogenation Selectivity.

Effective control on chemoselectivity in the catalytic hydrogenation of C=O over C=C bonds is uncommon with Pd-based catalysts because of the favored adsorption of C=C bonds on Pd surface. Here we report a unique orthorhombic PdSn intermetallic phase with unprecedented chemoselectivity toward C=O hydrogenation. We observed the formation and metastability of this PdSn phase in situ. During a natural cooling process, the PdSn nanoparticles readily revert to the favored Pd3 Sn2 phase. Instead, using a thermal quenching method, we prepared a pure-phase PdSn nanocatalyst. PdSn shows an >96 % selectivity toward hydrogenating C=O bonds of various α,ß-unsaturated aldehydes, highest in reported Pd-based catalysts. Further study suggests that efficient quenching prevents the reversion from PdSn- to Pd3 Sn2 -structured surface, the key to the desired catalytic performance. Density functional theory calculations and analysis of reaction kinetics provide an explanation for the observed high selectivity.

The Effect of the ß-Al5FeSi Phases on Microstructure, Mechanical and Fatigue Properties in A356.0 Cast Alloys with Higher Fe Content without Additional Alloying of Mn.

Secondary-cast aluminum alloys have increasing industrial applications. Their biggest deficiency is their impurity content, especially Fe, which has low solubility in Al and almost all the content creates intermetallic phases. This work examines the effect of higher Fe content on the microstructure and properties of A356.0 alloy. At the same time, no other possibility existed to affecting the brittleness of the formation of the ß phases. The calculation of Fecrit, ratio of Mn/Fe, quantitative and computed tomography analysis of porosity and Fe plate-like phases, measurement of mechanical and fatigue properties, and fractography analysis were performed in this study. The results show that gravity die casting into a sand mold, and the non-usage of Mn addition or heat treatment, do not have a negative effect on increasing the size of the Fe-rich plate-like phases. The longest Fe-rich phases have limited the pore growth and ratios, but their higher thickness led to greater porosity formation. The mechanical and fatigue properties correlate with the Fecrit level and the highest were for the experimental alloy with 0.454 wt.% of Fe. The experimental results confirmed the fact that if the Fe plate-like phases have a length of up to 50 µm, the fatigue properties depend more on the size of porosity. If the length of the Fe needles is more than 50 µm, then the properties are mainly affected by the length of these Fe phases.

Formation of Die Soldering and the Influence of Alloying Elements on the Intermetallic Interface.

Die soldering of die castings is a serious problem in the aluminum casting industry. The precise mechanism, the influence of the alloy composition, and the options for prevention have not yet been fully elaborated. A well-established solution for alloys with low iron content is the addition of manganese. However, up to 0.8 wt.% is necessary, which increases the amount of brittle phases in the material and consequently reduces ductility. Immersion tests with 1.2343 tool steel and pure aluminum as well as a hypoeutectic AlSi-alloy with Mn, Mo, Co, and Cr additions were carried out to systematically investigate the formation of die soldering. Three different intermetallic layers and a scattered granular intermetallic phase formed at the interface between steel and Al-alloy after immersion into the melt for a duration of 6 min at 710 °C. The combined presence of the irregular, needle-shaped ß-Al5FeSi phase and the surrounding alloy was responsible for the bond between the two components. Mn and Mo inhibited the formation of the ß-phase, and instead promoted the αC-Al15(Fe,X)3Si2 phase. This led to an evenly running boundary to the AlSi-alloy and thus prevented bonding. Cr has proven to be the most efficient addition against die soldering, with 0.2 wt.% being sufficient. Contrary to the other elements investigated, Cr also reduced the thickness of the intermetallic interface.

Challenges in the Forging of Steel-Aluminum Bearing Bushings.

The current study introduces a method for manufacturing steel-aluminum bearing bushings by compound forging. To study the process, cylindrical bimetal workpieces consisting of steel AISI 4820 (1.7147, 20MnCr5) in the internal diameter and aluminum 6082 (3.2315, AlSi1MgMn) in the external diameter were used. The forming of compounds consisting of dissimilar materials is challenging due to their different thermophysical and mechanical properties. The specific heating concept discussed in this article was developed in order to achieve sufficient formability for both materials simultaneously. By means of tailored heating, the bimetal workpieces were successfully formed to a bearing bushing geometry using two different strategies with different heating durations. A metallurgical bond without any forging defects, e.g., gaps and cracks, was observed in areas of high deformation. The steel-aluminum interface was subsequently examined by optical microscopy, scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). It was found that the examined forming process, which utilized steel-aluminum workpieces having no metallurgical bond prior to forming, led to the formation of insular intermetallic phases along the joining zone with a maximum thickness of approximately 5-7 µm. The results of the EDS analysis indicated a prevailing FexAly phase in the resulting intermetallic layer.

A Study on Material Properties of Intermetallic Phases in a Multicomponent Hypereutectic Al-Si Alloy with the Use of Nanoindentation Testing.

The paper concerns modeling the microstructure of a hypereutectic aluminum-silicon alloy developed by the authors with the purpose of application for automobile cylinder liners showing high resistance to abrasive wear at least equal to that of cast-iron liners. With the use of the nanoindentation method, material properties of intermetallic phases and matrix in a hypereutectic Al-Si alloy containing Mn, Cu, Cr, Ni, V, Fe, and Mg as additives were examined. The scanning electron microscope equipped with an adapter for chemical composition microanalysis was used to determine the chemical composition of intermetallics and of the alloy matrix. Intermetallic phases, such as Al(Fe,Mn,M)Si, Al(Cr,V,M)Si, AlFeSi, AlFeNiM, AlCuNi, Al2Cu, and Mg2Si, including those supersaturated with various alloying elements (M), were identified based on results of X-ray diffraction (XRD) tests and microanalysis of chemical composition carried out with the use of X-ray energy dispersive spectroscopy (EDS). Shapes of the phases included regular, irregular, or elongated polygons. On the disclosed intermetallic phases, silicon precipitations, the matrix, values of the indentation hardness (HIT), and the indentation modulus (EIT) were determined by performing nanoindentation tests with the use of a Nanoindentation Tester NHT (CSM Instruments) equipped with a Berkovich B-L 32 diamond indenter. The adopted maximum load value was 20 mN.

Mechanism of Bi-Ni Phase Formation in a Microwave-Assisted Polyol Process.

Typically, intermetallic phases are obtained in solid-state reactions or crystallization from melts, which are highly energy and time consuming. The polyol process takes advantage of low temperatures and short reaction times using easily obtainable starting materials. The formation mechanism of these intermetallic particles has received little attention so far, even though a deeper understanding should allow for better synthesis planning. In this study, we therefore investigated the formation of BiNi particles in ethylene glycol in a microwave-assisted polyol process mechanistically. The coordination behavior in solution was analyzed using HPLC-MS and UV-Vis. Tracking the reaction with PXRD measurements, FT-IR spectroscopy and HR-TEM revealed a successive reduction of Bi3+ and Ni2+, leading to novel spherical core-shell structure in a first reaction step. Bismuth particles are encased in a matrix of nickel nanoparticles of 2 nm to 6 nm in diameter and oxidation products of ethylene glycol. Step-wise diffusion of nickel into the bismuth particle intermediately results in the bismuth-rich compound Bi3Ni, which consecutively transforms into the BiNi phase as the reaction progresses. The impacts of the anion type, temperature and pH value were also investigated.

Al2 Pt for Oxygen Evolution in Water Splitting: A Strategy for Creating Multifunctionality in Electrocatalysis.

The production of hydrogen via water electrolysis is feasible only if effective and stable catalysts for the oxygen evolution reaction (OER) are available. Intermetallic compounds with well-defined crystal and electronic structures as well as particular chemical bonding features are suggested here to act as precursors for new composite materials with attractive catalytic properties. Al2 Pt combines a characteristic inorganic crystal structure (anti-fluorite type) and a strongly polar chemical bonding with the advantage of elemental platinum in terms of stability against dissolution under OER conditions. We describe here the unforeseen performance of a surface nanocomposite architecture resulting from the self-organized transformation of the bulk intermetallic precursor Al2 Pt in OER.

Chemical Synthesis of Magnetic Nanoparticles for Permanent Magnet Applications.

Permanent magnets are a class of critical materials for information storage, energy storage, and other magneto-electronic applications. Compared with conventional bulk magnets, magnetic nanoparticles (MNPs) show unique size-dependent magnetic properties, which make it possible to control and optimize their magnetic performance for specific applications. The synthesis of MNPs has been intensively explored in recent years. Among different methods developed thus far, chemical synthesis based on solution-phase reactions has attracted much attention owing to its potential to achieve the desired size, morphology, structure, and magnetic controls. This Minireview focuses on the recent chemical syntheses of strongly ferromagnetic MNPs (Hc >10 kOe) of rare-earth metals and FePt intermetallic alloys. It further discusses the potential of enhancing the magnetic performance of MNP composites by assembly of hard and soft MNPs into exchange-coupled nanocomposites. High-performance nanocomposites are key to fabricating super-strong permanent magnets for magnetic, electronic, and energy applications.

Biocorrosion Zoomed In: Evidence for Dealloying of Nanometric Intermetallic Particles in Magnesium Alloys.

Biodegradable magnesium alloys generally contain intermetallic phases on the micro- or nanoscale, which can initiate and control local corrosion processes via microgalvanic coupling. However, the experimental difficulties in characterizing active degradation on the nanoscale have so far limited the understanding of how these materials degrade in complex physiological environments. Here a quasi-in situ experiment based on transmission electron microscopy (TEM) is designed, which enables the initial corrosion attack at nanometric particles to be accessed within the first seconds of immersion. Combined with high-resolution ex situ cross-sectional TEM analysis of a well-developed corrosion-product layer, mechanistic insights into Mg-alloys' degradation on the nanoscale are provided over a large range of immersion times. Applying this methodology to lean Mg-Zn-Ca alloys and following in detail the dissolution of their nanometric Zn- and Ca-rich particles the in statu nascendi observation of intermetallic-particle dealloying is documented for magnesium alloys, where electrochemically active Ca and Mg preferentially dissolve and electropositive Zn enriches, inducing the particles' gradual ennoblement. Based on electrochemical theory, here, the concept of cathodic-polarization-induced dealloying, which controls the dynamic microstructural changes, is presented. The general prerequisites for this new dealloying mechanism to occur in multicomponent alloys and its distinction to other dealloying modes are also discussed.

From 3D to 2D: Structural, Spectroscopic and Theoretical Investigations of the Dimensionality Reduction in the [PtAl2 ]δ- Polyanions of the Isotypic MPtAl2 Series (M=Ca-Ba, Eu).

Four new MPtAl2 (M=Ca, Sr, Ba, Eu) compounds, adopting the orthorhombic MgCuAl2 -type structure, have been synthesized from the elements using tantalum ampoules. All compounds are obtained as platelet-shaped crystallites and exhibit an increasing moisture sensitivity with increasing size of the formal M cation. Structural investigations indicate a pronounced elongation of the crystallographic b-axis, which results in a significant distortion of the [PtAl2 ]δ- polyanion. Within the polyanion, layer-like arrangements can be found with bonding Pt-Al interactions within the slab; the increase of the b-axis can be attributed to increasing Al-Al distances and therefore decreasing interactions between the slabs, caused by the differently-sized formal M cations. While the alkaline earth (M=Ca, Sr) representatives exhibit Pauli paramagnetism, BaPtAl2 shows diamagnetic behavior, finally EuPtAl2 is ferromagnetic with TC =54.0(5) K. The effective magnetic moment indicates that the Eu atoms are in a divalent oxidation state, which is confirmed by 151 Eu Mössbauer spectroscopic investigations. Measurements below the Curie-temperature show a full magnetic hyperfine field splitting with Bhf =21.7(1) T. 27 Al and 195 Pt magic-angle spinning NMR spectroscopy corroborates the presence of single crystallographic sites for the Pt and Al atoms. The large 27 Al nuclear electric quadrupolar coupling constants confirm unusually strong electric field gradients, in agreement with the structural distortions and the respective theoretical calculations. X-ray photoelectron spectroscopy has been utilized to investigate the charge transfer within the polyanion. The Pt 4f binding energy decreases with decreasing electronegativity / ionization energy of the alkaline earth elements, suggesting an increasing electron density at the Pt atoms. Theoretical investigations underline the platinide character of the investigated compounds by Bader charge calculations. The analysis of the integrated crystal orbital Hamilton population (ICOHP) values, electron localization function (ELF) and isosurface analyses lead to a consistent structural picture, indicating stable layer-like arrangements of the [PtAl2 ]δ- polyanion.

Principles of weakly ordered domains in intermetallics: the cooperative effects of atomic packing and electronics in Fe2Al5.

Many complex intermetallic structures feature a curious juxtaposition of domains with strict 3D periodicity and regions of much weaker order or incommensurability. This article explores the basic principles leading to such arrangements through an investigation of the weakly ordered channels of Fe2Al5. It starts by experimentally confirming the earlier crystallographic model of the high-temperature form, in which nearly continuous columns of electron density corresponding to disordered Al atoms emerge. Then electronic structure calculations on ordered models are used to determine the factors leading to the formation of these columns. These calculations reveal electronic pseudogaps near 16 electrons/Fe atom, an electron concentration close to the Al-rich side of the phase's homogeneity range. Through a reversed approximation Molecular Orbital (raMO) analysis, these pseudogaps are correlated with the filling of 18-electron configurations on the Fe atoms with the support of isolobal σ Fe-Fe bonds. The resulting preference for 16 electrons/Fe requires a fractional number of Al atoms in the Fe2Al5 unit cell. Density functional theory-chemical pressure (DFT-CP) analysis is then applied to investigate how this nonstoichiometry is accommodated. The CP schemes reveal strong quadrupolar distributions on the Al atoms of the channels, suggestive of soft atomic motions along the undulating electron density observed in the Fourier map that allow the Al positions to shift easily in response to compositional changes. Such a combination of preferred electron counts tied to stoichiometry and continuous paths of CP quadrupoles could provide predictive indicators for the emergence of channels of disordered or incommensurately spaced atoms in intermetallic structures.