Solute Atoms Research Articles

Mechanical response in tension of twin-induced Mg alloys in wide strain rate regimes

Effect of twin boundary with/without segregation of solute atoms on deformation behavior in tension is examined in Mg–3Al–1Zn (AZ31) alloys from low strain rates to high strain rates. Solute atoms (Al and/or Zn atoms) are segregated at {10 1‾ 2} twin boundaries by static annealing at a temperature of 423 K with a holding time of 150 min. The room-temperature tensile mechanical response of the specimens, which have pre-induced twin boundaries, shows detwinning behavior, regardless of the strain rate between 10−5/s and 100/s. The yield strength of these specimens is also unlikely to be affected by strain rate, because twin boundary mobility, i.e., the shrinkage, is an athermal process. On the other hand, the specimen with segregating of solute atoms at twin boundaries exhibits an increased strength and a decreased strain hardening as compared with those in the specimen having non-segregated twin boundaries. Newly formed deformation twins of several types, i.e., the {10 1‾ 2} twins, {101‾ 1} twins and {101‾ 2}-{101‾ 1} double twins, are the origin of fracture in these specimens.

Grain refinement of Mg-Ca alloys by native MgO particles

In Mg-Ca alloys the grain refining mechanism, in particular regarding the role of nucleant substrates, remains the object of debates. Although native MgO is being recognised as a nucleating substrate accounting for grain refinement of Mg alloys, the possible interactions of MgO with alloying elements that may alter the nucleation potency have not been elucidated yet. Herein, we design casting experiments of Mg-xCa alloys varied qualitatively in number density of native MgO, which are then comprehensively studied by advanced electron microscopy. The results show that grain refinement is enhanced as the particle number density of MgO increases. The native MgO particles are modified by interfacial layers due to the co-segregation of Ca and N solute atoms at the MgO/Mg interface. Using aberration-corrected scanning transmission electron microscopy and electron energy loss spectroscopy, we reveal the nature of these Ca/N interfacial layers at the atomic scale. Irrespective of the crystallographic termination of MgO, Ca and N co-segregate at the MgO/Mg interface and occupy Mg and O sites, respectively, forming an interfacial structure of a few atomic layers. The interfacial structure is slightly expanded, less ordered and defective compared to the MgO matrix due to compositional deviations, whereby the MgO substrate is altered as a poorer template to nucleate Mg solid. Upon solidification in a TP-1 mould, the impotent MgO particles account for the grain refining mechanism, where they are suggested to participate into nucleation and grain initiation processes in an explosive manner. This work not only reveals the atomic engineering of a substrate through interfacial segregation but also demonstrates the effectiveness of a strategy whereby native MgO particles can be harnessed for grain refinement in Mg-Ca alloys.

Kinetic Monte Carlo simulations of solute clustering during quenching and aging of Al–Mg–Zn alloys

The physical mechanisms behind cluster formation during quenching and aging of age-hardening metallic alloys are poorly understood based on classical nucleation and growth theories, especially in multicomponent alloys with supersaturated vacancies and fast-diffusing solute atoms. Here, solute clustering in an Al–Mg–Zn alloy during quenching immediately after high-temperature (800 K) solution treatment is modeled with a newly developed kinetic Monte Carlo (kMC) framework. This includes accurate surrogate models trained using first-principles-calculated data to predict vacancy migration energetics on the fly as functions of local lattice occupations. First, kMC simulations at constant aging temperatures revealed that temporal evolution of the number, sizes, and compositions of solute clusters change with aging temperature. Such changes are consistent with our analyses based on classical nucleation theory (CNT) and Monte Carlo simulations. Second, the kMC algorithm was revised for simulating quenching processes by iteratively updating the kMC temperature based on simulated cooling rate profiles. These quenching simulations show that rapid solute clustering mainly occurs from ∼600 to ∼400 K during cooling. Below ∼400 K, the clustering is suppressed to a steady state because vacancies are trapped by stable clusters with sizes of ∼2 nm and high magnitudes of formation energies. The configurations of these steady-state clusters closely resemble the solute clusters we observed experimentally in 7XXX series Al–Mg–Zn-based alloy samples immediately after quenching. A two-stage vacancy trapping mechanism revealed in our simulations can provide physical guidance to tune precipitation kinetics during natural and artificial aging.

Superior specific capacity and energy density simultaneously achieved by Sr/In co-deposition behavior of Mg-Sr-In ternary alloys as anodes for Mg-Air cells

In this work, the combined addition of strontium/indium (Sr/In) to the magnesium anode for Mg-Air Cells is investigated to improve discharge performance by modifying the anode/electrolyte interface. Indium exists as solid solution atoms in the α-Mg matrix without its second-phase generation, and at the same time facilitates grain refinement, dendritic segregation and Mg17Sr2-phases precipitation. During discharge operation, Sr modifies the film composition via its compounds and promoted the redeposition of In at the substrate/film interface; their co-deposition behavior on the anodic reaction surface enhances anode reaction kinetics, suppresses the negative difference effect (NDE) and mitigates the “chunk effect” (CE), which is contributed to uniform dissolution and low self-corrosion hydrogen evolution rate (HER). Therefore, Mg-Sr-xIn alloy anodes show excellent discharge performance, e.g., 0.5Sr-1.0In shows an average discharge voltage of 1.4234 V and a specific energy density of 1990.71 Wh kg−1 at 10 mA cm−2. Furthermore, the decisive factor (CE and self-discharge HE) for anodic efficiency are quantitively analyzed, the self-discharge is the main factor of cell efficiency loss. Surprisingly, all Mg-Sr-xIn anodes show anodic efficiency greater than 60% at high current density (≥10 mA cm−2), making them excellent candidate anodes for Mg-Air cells at high-power output.

Mitigating the efficiency-voltage trade-off in magnesium air battery via a novel active learning framework

Reconciling the inherent trade-off between anodic efficiency and discharge voltage in the design of high-energy-density magnesium-air (Mg-air) batteries has been a persistent challenge. Herein, we propose a pioneering active learning strategy that integrates physically motivated variables, machine learning, exploration of the Pareto front, experimental data feedback, and generated data feedback for the purpose of designing magnesium anodes. Within an extensive compositional space (∼350,000 possibilities), we have pinpointed a novel alloy, Mg-1Ga-1Ca-0.5In, exhibiting exceptional performance with high efficiency (64 ± 5.5 % at 1 mA cm−2, 64 ± 0.5 % at 10 mA cm−2) and high voltage (1.80 ± 0.00 V at 1 mA cm−2, 1.57 ± 0.01 V at 10 mA cm−2), surpassing conventional methods of alloying. Subsequent experiments and density functional theory (DFT) calculations have unveiled that the outstanding performance of Mg-1Ga-1Ca-0.5In stems from “grain boundary activation” induced by active second phases and “intra-grain inhibition” resulting from the orbital hybridization between solute atoms and Mg atoms. This study provides a novel research paradigm and offers valuable insights for the further development of high-performance Mg-air batteries.

Improving Quantum Chemical Solvation Models by Dynamic Radii Adjustment for Continuum Solvation (DRACO).

We present the Dynamic Radii Adjustment for COntinuum solvation (DRACO) approach, which employs precomputed atomic partial charges and coordination numbers of the solute atoms to improve the solute cavity. As such, DRACO is compatible with major solvation models, improving their performance significantly and robustly at virtually no extra cost, especially for charged solutes. Combined with the purely electrostatic CPCM and COSMO models, DRACO reduces the mean absolute deviation (MAD) of the solvation free energy by up to 4.5 kcal mol-1 (67%) for a large data set of polar and ionic solutes. Even in combination with the highly empirical universal solvation model (SMD), DRACO substantially reduces the MAD for charged solutes by up to 1.5 kcal mol-1 (39%), while neutral solutes are slightly improved (0.2 kcal mol-1 or 16%). We present an interface of DRACO with two computationally efficient atomic charge models that enables fully automated, out-of-the-box calculations with the widely used program packages Orca and TurboMole.

Microstructure evolution and strengthening mechanism of FeCo-1.5V0.5Nb0.4 W soft magnetic alloy rolled strip with high yield strength and low coercivity

The low strength of soft magnetic alloy limits the ability to operate high speed rotors in aero-generators. Strengthening of soft magnetic alloys remains a challenge, as most methods that enhance strength lead to the deterioration of magnetic properties. In this work, a rolled strip of FeCo-1.5V0.5Nb0.4W (wt.%) alloy with high yield strength and low coercivity was developed. We demonstrated that minor additions of Nb and W has a little effect on the magnetic properties. Due to the microalloying has a negligible effect on magnetocrystalline anisotropy, and low content of the secondary phase. Additionally, solute atoms are enriched at the grain boundaries, which reduces the grain boundary energy and promotes the nucleation and growth of Laves-Co2Nb phase at the grain boundary by grain boundary diffusion. These lead to almost stagnation of grain growth during isothermal annealing at 1123 K for 3 h and stabilization at ∼6 μm. Therefore, based on the reduction of dislocation density by high-temperature annealing to restore the magnetic properties of the alloy, fine-grain strengthening coupled with solid solution strengthening, and a certain amount of Orowan bypass effect and dislocation strengthening contribution, provide for the high strength of the alloy. The yield strength of the rolled strip reached 742 MPa under the conditions of no significant decrease in the saturation magnetization of 2.39 T and an extremely low coercivity of 152 A/m. These results are of great significance for understanding the relationship between the strengthening mechanisms of metallic materials and further developing high-performance FeCo-based soft magnetic alloys.

Intermediate temperature embrittlement and Portevin-Le Châtelier effect of Inconel 625 alloy caused by carbides

The phenomena of intermediate temperature embrittlement (ITE) and Portevin-Le Châtelier (PLC) effect are common in nickel-based superalloys, which seriously restrict the machinability and serviceability of the alloys. The ITE and PLC effect of Inconel 625 alloy caused by carbides and hot ductility were studied by optical microscope (OM), scanning electron microscope (SEM), transmission electron microscopy (TEM), and Gleeble 3500 thermal simulation equipment. The results show that hot ductility has a strong dependence on temperatures of Inconel 625 alloy. During the heating process, ductility initially decreases at 600 ℃ and reaches a minimum at 800 ℃ as the temperature increases, which was due to the formation of microcracks. Dynamic recrystallization can be observed at 900 ℃, and then ductility begins to drop until 1212 ℃ due to material melting. Meanwhile, the variation trend of the cooling process is consistent with the heating process. ITE exists in both the heating process and the cooling process, occurring at 600–900 ℃ and 600–1000 ℃ respectively of Inconel 625 alloy. The microcracks caused by the precipitation of carbides (NbC, (Nb, Ti)C, and M23C6) at grain boundaries led to the formation of ITE. The size, shape, distribution position, and type of carbides have different degrees of influence on the formation of microcracks. In addition, the serrated flow was observed throughout the test temperature range of Inconel 625 alloy. With the increase of the temperature, the type and amplitude of the serration changed, which is caused by the interaction between carbides (solute atoms) and dislocations.

Effect of Oxygen in Mo-TM (TM = Ti, Zr, Hf) Solid Solutions as Studied with Density Functional Theory Calculations

Mo-Ti-Si, Mo-Zr-B, and Mo-Hf-B are promising alloy systems for high-temperature applications as they show higher toughness and higher creep resistance than other Mo-based alloys. Regarding ductility and toughness, the chemical composition of the Mo solid-solution phase is the main parameter with which to tweak these properties of multiphase Mo-based alloys. Besides the common solid-solution hardening, one goal is to minimize embrittlement by decreasing the detrimental effects of interstitials like oxygen atoms in Mo alloys, which might be present in the bulk material due to trapping. For a better understanding of the trapping mechanisms and behavior of Mo solid solutions, the bonding situation and interaction of Mo atoms with the atoms of the alloying partners, as well as oxygen atoms, is worthwhile to investigate. For this, an in-depth analysis of the chemical bonding situation with calculations based on density functional theory in selected Mo-TM(-O) (TM = Ti, Zr, Hf) solid solutions is conducted in this work. It is shown that Ti atoms in a Mo solid solution are strong traps for oxygen atoms, while Hf and, even more clearly, Zr atoms are not. It is pointed out that the ionic and covalent interactions are the primary influence on the trapping behavior, as the change in ionic and covalent interactions between trapping and nontrapping models follows the trend Mo-1Ti > Mo-1Hf > Mo-1Zr, which resembles the trend of the trapping energy.

Microstructure-Informed Prediction of Hardening in Ion-Irradiated Reactor Pressure Vessel Steels

Ion irradiation combined with nanoindentation is a promising tool for studying irradiation-induced hardening of nuclear materials, including reactor pressure vessel (RPV) steels. For RPV steels, the major sources of hardening are nm-sized irradiation-induced dislocation loops and solute atom clusters, both representing barriers for dislocation glide. The dispersed barrier hardening (DBH) model provides a link between the irradiation-induced nanofeatures and hardening. However, a number of details of the DBH model still require consideration. These include the role of the unirradiated microstructure, the proper treatment of the indentation size effect (ISE), and the appropriate superposition rule of individual hardening contributions. In the present study, two well-characterized RPV steels, each ion-irradiated up to two different levels of displacement damage, were investigated. Dislocation loops and solute atom clusters were characterized by transmission electron microscopy and atom probe tomography, respectively. Nanoindentation with a Berkovich indenter was used to measure indentation hardness as a function of the contact depth. In the present paper, the measured hardening profiles are compared with predictions based on different DBH models. Conclusions about the appropriate superposition rule and the consideration of the ISE (in terms of geometrically necessary dislocations) are drawn.

New insights into the character of austenite-ferrite boundaries in an additively manufactured duplex stainless steel

The crystallography and chemistry of interfaces between austenite and ferrite in duplex steels control many important materials properties but remain poorly understood. In this study, we experimentally show that in an additively manufactured and heat treated duplex stainless steel, the majority of austenite-ferrite interfaces terminate on {111}A/{110}F planes, and this behaviour is more pronounced for rational interfaces with the Kurdjomov-Sachs orientation relationship. Interface segregation was found to be controlled by not only the interface crystallography but also the bonding properties of solute atoms. Solute elements showed higher interfacial excess at irrational interfaces. Furthermore, a heterogeneous distribution of selected solute elements in austenite-ferrite interfaces planes was observed. Our findings reinforce the importance and, in fact, necessity to consider five independent crystallographic parameters and chemical architecture of interphase boundaries for advanced control of mechanical and other critical properties in duplex materials.

Enhancing capillary action of acidified paper to achieve uniform deacidification and long-lasting aging resistance

Deacidification is a necessary and urgent means of protecting acidified paper documents. However, the contradiction between deacidification efficiency and uniformity in existing aqueous or organic phase deacidification methods has not been resolved yet, which is mainly attributed to the differences in capillary action of paper on solvents with different polarities. In this work, a strategy of two-phase deacidification was proposed to achieve efficient and uniform deacidification and long-lasting aging resistance. Impregnation of nano magnesium oxide organic dispersion of deacidified paper achieved efficient batch deacidification and sufficient alkali reserve. Using ultrasonic atomization of saturated calcium hydroxide aqueous solution, the penetration of alkaline substances into paper promoted uniform deacidification based on strong capillary action. Meanwhile, microstructural reinforcement of paper fibers was achieved based on the multiple interactions. This method can endow the treated paper with better thermal stability and long-lasting aging resistance. After artificial accelerated aging for 30 d, the treated paper samples still maintained the highest tensile index (18.46 Nm/g), folding endurance (8.5 times), tear index (3.95 mN·m2/g) and displayed negligible chromatic aberration (∆E = 2.46 ± 0.21). This method greatly extends the lifespan of acidified paper, which has significant value for the protection of paper documents.

Effects of heat treatment cooling methods on precipitated phase and mechanical properties of CoCrFeMnNi–Mo5C0.5 high entropy alloy

C and Mo in the form of solid solution atom or compound phase is distributed in CoCrFeMnNi high entropy alloy (HEA), which have the effects of solution strengthening or second phase strengthening. CoCrFeMnNi–Mo5C0.5 HEA were prepared by adding C and Mo elements to CoCrFeMnNi HEA, and then which heat treatment were carried out by furnace-cooling, air-cooling and water-cooling respectively. the microstructure and phase composition of as-cast or heat treated CoCrFeMnNi–Mo5C0.5 HEA were examined by scanning electron microscopy (SEM), energy dispersive spectrometry (EDS) and X-ray diffraction (XRD), the mechanical properties of as-cast or heat treated CoCrFeMnNi–Mo5C0.5 HEA were tested by the tensile test and hardness test, and the effects of heat treatment cooling methods on precipitated second phase and mechanical properties of CoCrFeMnNi–Mo5C0.5 HEA were investigated. The results show that precipitated second phase in CoCrFeMnNi–Mo5C0.5 HEA is MC phase, which is rich in Mo, Cr and C elements. With change of heat treatment cooling methods from furnace-cooling, air-cooling to water-cooling respectively, heat treatment cooling rate is increased. With increase of heat treatment cooling rate, the amount and size of precipitated second phase are all decreases, and the position of second phase precipitation changes from grain boundaries to intragranular. The tensile strength and elongation of heat treatment water-cooled CoCrFeMnNi–Mo5C0.5 HEA are 739 MPa and 41% respectively, which are realizes the simultaneous increased of strength and plasticity. With increase of heat treatment cooling rate, the hardness of CoCrFeMnNi–Mo5C0.5 HEA decreases, the uniform plastic deformation and the elongation are all increases, and the plasticity increase. The fractures of as-cast, heat treatment furnace-cooled, air-cooled and water-cooled CoCrFeMnNi–Mo5C0.5 HEA are all brittle fracture with cleavage characteristics, and the plastic deformation occurs mainly in the uniform plastic deformation stage. The fracture mode of as-cast CoCrFeMnNi–Mo5C0.5 HEA is intergranular fracture, the fracture mode of heat treatment furnace-cooled, air-cooled and water-cooled CoCrFeMnNi–Mo5C0.5 HEA are all transgranular fracture.

First-principles investigation of the Mg, Cu segregation at Al Σ5 (310) and Σ9 (221) symmetrical tilt grain boundaries

The segregation of alien solute atoms at grain boundaries (GBs) in nanocrystalline materials can dramatically affect their macroscopic properties. As important solutes in Al alloys, Mg and Cu atoms have been experimentally observed to segregate at GBs, which would render a significant impact on the material. In this work, first-principles calculations were used to conduct a systematic and comprehensive investigation to reveal the segregation behavior of Mg and Cu atoms at Al Σ5 (310) and Σ9 (221) GBs and its effect on GB properties. The negative segregation energy demonstrates that both Mg and Cu have a strong tendency to segregate to the Al GBs. Moreover, the segregation of Mg and Cu atoms can reduce the GB energy, indicating an increased thermodynamic stability of the GBs. Mechanical properties are explored by a combination of canonical Griffith fracture model with ab-initio tensile test method. Results reveal that the doped Mg will embrittle both GBs due to the elongation of interatomic bonds and depletion of charge density across the GBs. Contrarily, the segregated Cu contributes greatly to enhancing the GB strength by creating strong Cu-Al bonds with surrounding Al at GBs. Besides, the increased tensile separation displacement of GBs with Cu segregation also suggests an improved resistance to fracture, especially the Σ9 (221) GB. This work provides a theoretical understanding for the changes in microscopic properties of Al GBs caused by Mg and Cu segregation from an atomic and electronic level.

Interfacial Kagome lattice transitions induced by segregation of solute atoms

Interfacial structural transformations arising from solute segregation play a crucial role in the performance of materials. However, these micro-transitions are often difficult to reveal due to their buried nature. Here, in a typical Mg-rare-earth model system, we present the discovery of interfacial Kagome lattice transitions triggered by segregation of solutes coupled with bi-crystalline lattice interactions, in three types of partially coherent tilt grain boundaries (GBs), using atomic-resolution scanning transmission electron microscopy observations plus theoretical calculations. The results demonstrate that the minimization of GB elastic strain is responsible for the selective segregation of solutes at interfacial specific sites, resulting in a confined phase transition of the embedded triangular-quadrilateral (101¯1)Mg lattice to a topological hexagonal-triangular Kagome lattice via atomic shuffling. Furthermore, the pressure-temperature conditions that trigger such interfacial Kagome lattice transitions have also been determined. These findings not only enrich the transition pathways formed by the Kagome lattice but also provide a bottom-up approach for investigating interfacial structural transformations induced by solute/impurity segregation in polycrystalline materials.

Effects of Ni Content and Heat Treatment on the Properties, Microstructures, and Precipitates of Cu-0.2 wt% Be-x wt% Ni Alloys.

Cu-Be alloys exhibit excellent comprehensive performance in electrics, thermotics, and mechanics, and hence, they attract much attention. Among them, low-Be copper alloys are more environmentally friendly and promising. This study explores the effects of different Ni contents and heat treatment parameters on the properties, microstructures, and precipitates of Cu-0.2 wt% Be-x wt% Ni (0 < x < 2.0) alloys. The experimental results demonstrate that the fast cooling rate of cast alloys during solidification contributes to retention of the solute atoms in the copper matrix, which is beneficial for subsequent solid solution treatment. Furthermore, solid solution treatment slightly reduces the electrical conductivities, microhardness values, and compressive yield strengths of Cu-0.2 wt% Be-1.0/1.6 wt% Ni alloys. The optimal solution temperature and time are about 925 ℃ and 60 min, respectively. Aging treatment significantly increases the electrical conductivities, microhardness values, and compressive yield strengths of Cu-0.2 wt% Be-1.0/1.6 wt% Ni alloys. The best aging temperature is around 450 ℃. However, the properties of Cu-0.2 wt%Be-0.4 wt%Ni alloys remain unaffected by solution and aging treatments. Around x = 1.0, Cu-0.2 wt% Be-x wt% Ni alloys possess the best comprehensive properties, which are about 72%IACS of electrical conductivity, 241 HV of microhardness, and 281MPa of compressive yield strength, respectively. TEM and EDS analyses reveal that the precipitate evolution of Cu-0.2 wt% Be-1.0 wt% Ni alloys with aging time is GP zones → γ″ → γ'. Notably, a distinct double-peak age strengthening phenomenon emerges with Cu-0.2 wt% Be-1.0/1.6 wt% Ni alloys. The precipitation of plenty of GP zones at the early stage of aging should account for the first strengthening peak, and the strengthening mechanism transformation of the γ″ or γ' phase from shear to Orowan should induce the second strengthening peak. This work may help to design new low-Be copper alloys and their preparation processes.

The new sight to Fe–C system

ABSTRACT The crystalline Fe–C alloy had been the focal point of research in the traditional metallurgical steel industry. However, its corresponding amorphous alloy system had received little attention, with a lack of consensus on the microstructural evolution. Three types of Fe–C unbalanced composite films with different carbon content were fabricated using the magnetron sputtering method. The results indicated that as the carbon content increased, carbon existed in the form of supersaturated solid solution atoms in crystalline Fe, an amorphous Fe–C structure and Fe3C, respectively. The resistivity of the films in these three carbon types gradually increased from 1.37 × 10−4 ohm/cm to 4.53 × 10−2 ohm/cm and then to 5.43 × 10−2 ohm/cm. Simultaneously, the transmittance gradually increased from 0% to 28% and then to 51%. Upon annealing at 400°C, with the crystallisation of Fe in the low-carbon film, unbalanced carbon atoms were pushed out of the lattice and precipitated as Fe3C. After annealing at 650°C, the Fe3C in the high-carbon film decomposed into Fe and C. The as-prepared medium-carbon film displayed commendable corrosion resistance. These findings provided valuable insights for the design and performance development of new materials.

Statistical analysis of serrated flows in CoNiV medium-entropy alloy

The Portevin–Le Chatelier (PLC) effect induced by dynamic strain aging is commonly observed in various alloys. The stress-drop magnitude of serrations and the critical strain at which serrations occur are two pivotal features characterizing serrated flow. This study investigates the temperature (160–460 °C) and strain rate (6 × 10−4 s−1–2 × 10−2 s−1) dependence of the serrated flow behavior in the CoNiV medium-entropy alloy through uniaxial tensile tests. Under the guidance of the mean-field theory, a scale theory has been applied to derive a scale function and scale indices that can be used to predict the distribution of stress drops. A normal PLC behavior of critical strain is fitted using the dislocation pinning model, demonstrating the presence of specific solute atoms conforming to the dislocation pinning model within medium-entropy alloys.

Effect of Cr Segregation on Mechanical Behavior and Deformation Mechanism of Ni─Co─Cr Alloy

AbstractNi─Co alloys have attracted extensive attention from materials researchers in recent years because of their excellent properties. The effect of solute segregation on the properties of the alloy is studied by molecular dynamics simulation. The results show that the yield strength increases from 2.8 to 3.5 GPa when the solute atom Cr is introduced into the grain boundary. Under the action of stress, the disorder of segregation grain boundary is enhanced, which hinders the growth of grain, produces less layer fault structure, and the peak number of HCP (Hexagonal Close Packed) atom decreases from 50 000 to 37 000. The introduction of solute atoms provides a strong support for the grain boundary and has a similar skeleton structure, which improves the deformation resistance of the lattice. In addition, the improved grain boundary stability leads to the difficulty of nucleation of the dislocation, because the obstruction of the grain boundary makes it difficult to activate the dislocation source in the adjacent grain, and the maximum reduction of the perfect dislocation is 74%. In general, the microscopic mechanism of solute segregation strengthening is discussed from dislocation, phase structure, and energy, which provides guidance for plastic deformation of solid‐solution alloys.

Interpreting Image Patterns for Agricultural Sprays Using Statistics and Machine Learning Techniques

The atomization of liquid spray solutions through nozzles is a mechanism for delivering many pesticides to the target. The smallest drop sizes (&lt;150 μm) are known as driftable fines and have a propensity for wind-induced convection. Many agricultural applications include oil-in-water formulations. The experimental metrics obtained from spray images of these formulations include the distance from the nozzle origin to the drop centroid once a drop has formed; the hole location and surface area for holes that form in the liquid sheet (all hole areas approximated as polygons); the angles formed between polygon segments (whose vertices are represented as boundary points); and the ligament dimensions that form from intersecting holes, such as the ligament aspect ratio (R/L), ligament length (L), and ligament radius (width), along with the number of drops a ligament breaks up into. These metrics were used in a principal component regression (PCR) analysis, and the results illustrated that 99% of the variability in the response variable (DT10) was addressed by 10 principal components. Angles formed by the colliding holes, hole distance from the nozzle, drop distance, hole number, ligament number, and drop number were negatively correlated to the atomization driftable fine fraction, while hole area, ligament distance, ligament area, and boundary area were positively correlated. Thus, to decrease/minimize driftable fines, one needs to increase the negatively correlated metrics.