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Showing papers by "University of North Texas published in 2017"


Journal ArticleDOI
TL;DR: Recent extensions and improvements are described, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.
Abstract: Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches Quantum ESPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement their ideas In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software

3,638 citations


Journal ArticleDOI
TL;DR: Quantum ESPRESSO as discussed by the authors is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density functional theory, density functional perturbation theory, and many-body perturbations theory, within the plane-wave pseudo-potential and projector-augmented-wave approaches.
Abstract: Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudo-potential and projector-augmented-wave approaches. Quantum ESPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement theirs ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.

2,818 citations


Journal ArticleDOI
TL;DR: In this paper, the recent progress in 2D materials beyond graphene and includes mainly transition metal dichalcogenides (TMDs) (e.g., MoS2, WS2, MoSe2, and WSe2).

1,728 citations


Journal ArticleDOI
TL;DR: The HiTOP promises to improve research and clinical practice by addressing the aforementioned shortcomings of traditional nosologies and provides an effective way to summarize and convey information on risk factors, etiology, pathophysiology, phenomenology, illness course, and treatment response.
Abstract: The reliability and validity of traditional taxonomies are limited by arbitrary boundaries between psychopathology and normality, often unclear boundaries between disorders, frequent disorder co-occurrence, heterogeneity within disorders, and diagnostic instability. These taxonomies went beyond evidence available on the structure of psychopathology and were shaped by a variety of other considerations, which may explain the aforementioned shortcomings. The Hierarchical Taxonomy Of Psychopathology (HiTOP) model has emerged as a research effort to address these problems. It constructs psychopathological syndromes and their components/subtypes based on the observed covariation of symptoms, grouping related symptoms together and thus reducing heterogeneity. It also combines co-occurring syndromes into spectra, thereby mapping out comorbidity. Moreover, it characterizes these phenomena dimensionally, which addresses boundary problems and diagnostic instability. Here, we review the development of the HiTOP and the relevant evidence. The new classification already covers most forms of psychopathology. Dimensional measures have been developed to assess many of the identified components, syndromes, and spectra. Several domains of this model are ready for clinical and research applications. The HiTOP promises to improve research and clinical practice by addressing the aforementioned shortcomings of traditional nosologies. It also provides an effective way to summarize and convey information on risk factors, etiology, pathophysiology, phenomenology, illness course, and treatment response. This can greatly improve the utility of the diagnosis of mental disorders. The new classification remains a work in progress. However, it is developing rapidly and is poised to advance mental health research and care significantly as the relevant science matures. (PsycINFO Database Record

1,635 citations


Journal ArticleDOI
TL;DR: Three different alloys, covering a large range of technology readiness levels, are selected to illustrate particular microstructural features developed by AM and clarify the engineering paradigm relating process–microstructure–property.

632 citations


Journal ArticleDOI
TL;DR: The first example of in situ exfoliated, edge-rich, oxygen-functionalized graphene on the surface of carbon fibers using Ar plasma treatment is successfully prepared and has a higher specific surface area and an increased number of active sites for OER and ORR.
Abstract: Metal-free electrocatalysts have been extensively developed to replace noble metal Pt and RuO2 catalysts for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in fuel cells or metal-air batteries. These electrocatalysts are usually deposited on a 3D conductive support (e.g., carbon paper or carbon cloth (CC)) to facilitate mass and electron transport. For practical applications, it is desirable to create in situ catalysts on the carbon fiber support to simplify the fabrication process for catalytic electrodes. In this study, the first example of in situ exfoliated, edge-rich, oxygen-functionalized graphene on the surface of carbon fibers using Ar plasma treatment is successfully prepared. Compared to pristine CC, the plasma-etched carbon cloth (P-CC) has a higher specific surface area and an increased number of active sites for OER and ORR. P-CC also displays good intrinsic electron conductivity and excellent mass transport. Theoretical studies show that P-CC has a low overpotential that is comparable to Pt-based catalysts, as a result of both defects and oxygen doping. This study provides a simple and effective approach for producing highly active in situ catalysts on a carbon support for OER and ORR.

563 citations


Journal ArticleDOI
TL;DR: A systematic literature review explores key factors affecting patient dissatisfaction following total knee arthroplasty and found that patient dissatisfaction pertains to several key factors.
Abstract: Background Dissatisfaction following total knee arthroplasty (TKA) is common. Approximately 20% of patients report dissatisfaction following primary TKA. This systematic literature review explores key factors affecting patient dissatisfaction following TKA. Methods Six literature databases published between 2005 and 1 January 2016 were searched using 3 key search phrases. Papers were included if the study investigated patient dissatisfaction in primary unilateral or bilateral TKA. Information from each article was categorized to the domains of socioeconomic, preoperative, intraoperative, and postoperative factors affecting patient dissatisfaction. Results This review found that patient dissatisfaction pertains to several key factors. Patient expectations prior to surgery, the degree of improvement in knee function, and pain relief following surgery were commonly cited in the literature. Fewer associations were found in the socioeconomic and surgical domains. Conclusion Identifying who may be dissatisfied after their TKA is mystifying; however, we note several strategies that target factors whereby an association exists. Further research is needed to better quantify dissatisfaction, so that the causal links underpinning dissatisfaction can be more fully appreciated and strategies employed to target them.

396 citations


Journal ArticleDOI
TL;DR: Adding very small amounts of zinc to magnesium alloys containing rare earth elements dramatically improves their creep life, and it is shown that this is due to stiff covalent bonding of zinc and rare earth Elements such as neodymium.
Abstract: Several recent papers report spectacular, and unexpected, order of magnitude improvement in creep life of alloys upon adding small amounts of elements like zinc. This microalloying effect raises fundamental questions regarding creep deformation mechanisms. Here, using atomic-scale characterization and first principles calculations, we attribute the 600% increase in creep life in a prototypical Mg–rare earth (RE)–Zn alloy to multiple mechanisms caused by RE–Zn bonding—stabilization of a large volume fraction of strengthening precipitates on slip planes, increase in vacancy diffusion barrier, reduction in activated cross-slip, and enhancement of covalent character and bond strength around Zn solutes along the c-axis of Mg. We report that increased vacancy diffusion barrier, which correlates with the observed 25% increase in interplanar bond stiffness, primarily enhances the high-temperature creep life. Thus, we demonstrate that an approach of local, randomized tailoring of bond stiffness via microalloying enhances creep performance of alloys. Adding very small amounts of zinc to magnesium alloys containing rare earth elements dramatically improves their creep life. Here, the authors use first principles calculations and atomic-scale characterization to show that this is due to stiff covalent bonding of zinc and rare earth elements such as neodymium.

394 citations


Journal ArticleDOI
TL;DR: In this paper, a Co-containing MOF was used to create coordinately unsaturated metal sites (CUMSs) as catalytic centers for oxygen evolution reaction (OER) in Zeolitic imidazolate frameworks.

347 citations


Journal ArticleDOI
TL;DR: An overview on the most relevant synthetic approaches for the covalent and non-covalent functionalization and characterization of GBMs of electroactive units and their application in solar energy conversion schemes and energy production is offered.
Abstract: Graphene-based materials (GBMs), with graphene, their most known member, at the head, constitute a large family of materials which has aroused the interest of scientists working in different research fields such as chemistry, physics, or materials science, to mention a few, arguably as no other material before. In this review, we offer a general overview on the most relevant synthetic approaches for the covalent and non-covalent functionalization and characterization of GBMs. Moreover, some representative examples of the incorporation into GBMs of electroactive units such as porphyrins, phthalocyanines, or ferrocene, among others, affording electron donor–acceptor (D–A) hybrids are presented. For the latter systems, the photophysical characterization of their ground- and excited-state features has also been included, paying particular attention to elucidate the fundamental dynamics of the energy transfer and charge separation processes of these hybrids. For some of the presented architectures, their application in solar energy conversion schemes and energy production has been also discussed.

327 citations


Journal ArticleDOI
TL;DR: In this article, the authors combined two bibliometric analysis methods to provide a systematic and holistic review of social media-related academic literature and found that a total of 406 publications related to social media between 2007 and 2016 were identified from 16 business and hospitality/tourism journals.

Proceedings ArticleDOI
01 Aug 2017
TL;DR: An unsupervised model for keyphrase extraction from scholarly documents that incorporates information from all positions of a word’s occurrences into a biased PageRank, which achieves remarkable improvements over PageRank models that do not take into account word positions.
Abstract: This paper proposes PositionRank, an unsupervised model for keyphrase extraction from scholarly documents that incorporates information from all positions of a word's occurrences into a biased PageRank.

Journal ArticleDOI
TL;DR: A successful demonstration of integrated strengthening using Hall-Petch and precipitation strengthening is shown in the fcc based high entropy alloy (HEA) Al0.3CoCrFeNi, leading to quantitative determinations of the Hall-petch coefficients for both hardness and tensile yield strength, as well as the enhancements in the yield strength from two distinct types of ordered precipitates, L12 and B2 as mentioned in this paper.

Journal ArticleDOI
TL;DR: The favorable physiological degradation behavior of pure zinc stents makes zinc a promising candidate for future stent applications.

Journal ArticleDOI
TL;DR: An algorithm based on the gradient push-sum method is proposed to solve the EDP in a distributed manner over communication networks potentially with time-varying topologies and communication delays.
Abstract: In power system operation, the economic dispatch problem (EDP) aims to minimize the total generation cost while meeting the demand and satisfying generator capacity limits. This paper proposes an algorithm based on the gradient push-sum method to solve the EDP in a distributed manner over communication networks potentially with time-varying topologies and communication delays. This paper shows that the proposed algorithm is guaranteed to solve the EDP if the time-varying directed communication network is uniformly jointly strongly connected. Moreover, the proposed algorithm is also able to handle arbitrarily large but bounded time-varying delays on communication links. Numerical simulations are used to illustrate and validate the proposed algorithm.

Journal ArticleDOI
TL;DR: The research concludes that compared with pure PLA filament, adding WF changed the microstructure of material fracture surface, the initial deformation resistance of the composite was enhanced, the starting thermal degradation temperature of the Composite decreased slightly, and there were no effects on the melting temperature.
Abstract: This paper presents the development of wood flour (WF)-filled polylactic acid (PLA) composite filaments for a fused deposition modeling (FDM) process with the aim of application to 3D printing. The composite filament consists of wood flour (5 wt %) in a PLA matrix. The detailed formulation and characterization of the composite filament were investigated experimentally, including tensile properties, microstructure, thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and X-ray diffraction (XRD). The feedstock filaments of this composite were produced and used successfully in an assembled FDM 3D printer. The research concludes that compared with pure PLA filament, adding WF changed the microstructure of material fracture surface, the initial deformation resistance of the composite was enhanced, the starting thermal degradation temperature of the composite decreased slightly, and there were no effects on the melting temperature. The WF/PLA composite filament is suitable to be printed by the FDM process.

Journal ArticleDOI
TL;DR: A genetic algorithm-based, self-organizing network clustering (GASONeC) method that provides a framework to dynamically optimize wireless sensor node clusters and greatly extends the network life and the improvement up to 43.44 %.
Abstract: The dynamic nature of wireless sensor networks (WSNs) and numerous possible cluster configurations make searching for an optimal network structure on-the-fly an open challenge. To address this problem, we propose a genetic algorithm-based, self-organizing network clustering (GASONeC) method that provides a framework to dynamically optimize wireless sensor node clusters. In GASONeC, the residual energy, the expected energy expenditure, the distance to the base station, and the number of nodes in the vicinity are employed in search for an optimal, dynamic network structure. Balancing these factors is the key of organizing nodes into appropriate clusters and designating a surrogate node as cluster head. Compared to the state-of-the-art methods, GASONeC greatly extends the network life and the improvement up to 43.44 %. The node density greatly affects the network longevity. Due to the increased distance between nodes, the network life is usually shortened. In addition, when the base station is placed far from the sensor field, it is preferred that more clusters are formed to conserve energy. The overall average time of GASONeC is 0.58 s with a standard deviation of 0.05.

Journal ArticleDOI
TL;DR: A fast algorithm for single image dehazing is proposed based on linear transformation by assuming that a linear relationship exists in the minimum channel between the hazy image and the haze-free image, which can clearly and naturally recover the image.
Abstract: Images captured in hazy or foggy weather conditions are seriously degraded by the scattering of atmospheric particles, which directly influences the performance of outdoor computer vision systems. In this paper, a fast algorithm for single image dehazing is proposed based on linear transformation by assuming that a linear relationship exists in the minimum channel between the hazy image and the haze-free image. First, the principle of linear transformation is analyzed. Accordingly, the method of estimating a medium transmission map is detailed and the weakening strategies are introduced to solve the problem of the brightest areas of distortion. To accurately estimate the atmospheric light, an additional channel method is proposed based on quad-tree subdivision. In this method, average grays and gradients in the region are employed as assessment criteria. Finally, the haze-free image is obtained using the atmospheric scattering model. Numerous experimental results show that this algorithm can clearly and naturally recover the image, especially at the edges of sudden changes in the depth of field. It can, thus, achieve a good effect for single image dehazing. Furthermore, the algorithmic time complexity is a linear function of the image size. This has obvious advantages in running time by guaranteeing a balance between the running speed and the processing effect.

Journal ArticleDOI
TL;DR: An efficient, Bezier curve based approach for the path planning in a dynamic field using a Modified Genetic Algorithm (MGA), which aims to boost the diversity of the generated solutions of the standard GA which increases the exploration capabilities of the MGA.

Journal ArticleDOI
TL;DR: Characterization of ten Cluster N temperate mycobacteriophages revealed at least five distinct prophage-expressed viral defence systems that interfere with the infection of lytic and temperate phages that are either closely related (homotypic defence) or unrelated (heterotypic Defence) to the prophages.
Abstract: Temperate phages are common, and prophages are abundant residents of sequenced bacterial genomes. Mycobacteriophages are viruses that infect mycobacterial hosts including Mycobacterium tuberculosis and Mycobacterium smegmatis, encompass substantial genetic diversity and are commonly temperate. Characterization of ten Cluster N temperate mycobacteriophages revealed at least five distinct prophage-expressed viral defence systems that interfere with the infection of lytic and temperate phages that are either closely related (homotypic defence) or unrelated (heterotypic defence) to the prophage. Target specificity is unpredictable, ranging from a single target phage to one-third of those tested. The defence systems include a single-subunit restriction system, a heterotypic exclusion system and a predicted (p)ppGpp synthetase, which blocks lytic phage growth, promotes bacterial survival and enables efficient lysogeny. The predicted (p)ppGpp synthetase coded by the Phrann prophage defends against phage Tweety infection, but Tweety codes for a tetrapeptide repeat protein, gp54, which acts as a highly effective counter-defence system. Prophage-mediated viral defence offers an efficient mechanism for bacterial success in host-virus dynamics, and counter-defence promotes phage co-evolution.

Journal ArticleDOI
TL;DR: The continual connection provided by phones combined with the social pressure to respond quickly to calls/messages is leading to increased use and reliance on mobile devices, which increases the potential for parents' mobile device use to disrupt parent-child interactions.

Journal ArticleDOI
TL;DR: This manuscript updates the literature over the last decade in addressing several new content areas that have emerged in the grandfamilies literature, along with issues that are still important to understanding grandparents raising their grandchildren today.
Abstract: Background and objectives In this manuscript, we update the literature over the last decade in addressing several new content areas that have emerged in the grandfamilies literature, along with issues that are still important to understanding grandparents raising their grandchildren today. Research design and methods The social science and gerontological literature since 2004 was accessed, reviewed, organized topically, and integrated, based upon an exhaustive PsychINFO literature search. Results Our review indicates an ongoing and/or growing emphasis on (a) the strengths of grandparent raising grandchildren, (b) diversity among grandfamilies along a number of parameters, (c) the social-interpersonal, cultural, and policy-related contexts of grandfamilies, (d) process-focused research, (e) parenting, parenting skills, and family relationships, (f) grandparent psychological distress, (g) targets for and the efficacy of interventions with grandfamilies, and (h) methodological issues relevant to the study of grandfamilies. Implications We discuss the implications of our findings in terms of more completely understanding grandfamilies along a number of parameters, as well as presenting specific recommendations for future research and practice.

Journal ArticleDOI
TL;DR: The biological responses of human bone marrow mesenchymal stem cells (hMSC) to Zn and the underlying cellular signaling mechanisms are studied and small RNA interference to knockdown related key molecules are illustrated to illustrated the mechanisms of Zn-induced cellular signaling.
Abstract: Zn biomaterials attract strong attentions recently for load-bearing medical implants because of their mechanical properties similar to bone, biocompatibility, and degradability at a more matched rate to tissue healing. It has been shown previously that Zn alloys are beneficial for bone regeneration, but the supporting mechanisms have not been explored in detail. Here, we studied the biological responses of human bone marrow mesenchymal stem cells (hMSC) to Zn and the underlying cellular signaling mechanisms. Typical Mg material AZ31 was used as a comparative benchmark control. Direct culture of cells on the materials revealed that cell adhesion, proliferation, and motility were higher on Zn than on AZ31. Significant cytoskeletal reorganizations induced by Zn or AZ31 were also observed. Mineralization of extracellular matrix (ECM) and hMSC osteogenic differentiation, measured by Alizarin red and ALP staining and activities, were significantly enhanced when cells were cultured with Zn or AZ31. Quantitative ...

Journal ArticleDOI
TL;DR: To rationally design COF-based electrocatalysts for oxygen reduction and evolution reactions in fuel cells and metal-air batteries, activity descriptors, derived from orbital energy and bonding structures, are identified with the first-principle calculations for the COFs, which correlate COF structures with their catalytic activities.
Abstract: Covalent organic frameworks (COFs), an emerging class of framework materials linked by covalent bonds, hold potential for various applications such as efficient electrocatalysts, photovoltaics, and sensors. To rationally design COF-based electrocatalysts for oxygen reduction and evolution reactions in fuel cells and metal-air batteries, activity descriptors, derived from orbital energy and bonding structures, are identified with the first-principle calculations for the COFs, which correlate COF structures with their catalytic activities. The calculations also predict that alkaline-earth metal-porphyrin COFs could catalyze the direct production of H2O2, a green oxidizer and an energy carrier. These predictions are supported by experimental data, and the design principles derived from the descriptors provide an approach for rational design of new electrocatalysts for both clean energy conversion and green oxidizer production.

Journal ArticleDOI
TL;DR: It is found that extracting sentiments during a disaster may help emergency responders develop stronger situational awareness of the disaster zone itself and help them understand the dynamics of the network.
Abstract: Sentiment analysis has been widely researched in the domain of online review sites with the aim of generating summarized opinions of users about different aspects of products. However, there has been little work focusing on identifying the polarity of sentiments expressed by users during disaster events. Identifying such sentiments from online social networking sites can help emergency responders understand the dynamics of the network, e.g., the main users' concerns, panics, and the emotional impacts of interactions among members. In this paper, we perform a sentiment analysis of tweets posted on Twitter during the disastrous Hurricane Sandy and visualize online users' sentiments on a geographical map centered around the hurricane. We show how users' sentiments change according not only to their locations, but also based on the distance from the disaster. In addition, we study how the divergence of sentiments in a tweet posted during the hurricane affects the tweet retweetability. We find that extracting sentiments during a disaster may help emergency responders develop stronger situational awareness of the disaster zone itself.

Journal ArticleDOI
TL;DR: The potential of virtual reality for enhancing ecological validity while maintaining experimental control in social neuroscience research is discussed and key technical features and concepts related to virtual reality are introduced.
Abstract: The emergence of social neuroscience has significantly advanced our understanding of the relationship that exists between social processes and their neurobiological underpinnings. Social neuroscience research often involves the use of simple and static stimuli lacking many of the potentially important aspects of real world activities and social interactions. Whilst this research has merit, there is a growing interest in the presentation of dynamic stimuli in a manner that allows researchers to assess the integrative processes carried out by perceivers over time. Herein, we discuss the potential of virtual reality for enhancing ecological validity while maintaining experimental control in social neuroscience research. Virtual reality is a technology that allows for the creation of fully interactive, three-dimensional computerized models of social situations that can be fully controlled by the experimenter. Furthermore, the introduction of interactive virtual characters—either driven by a human or by a computer—allows the researcher to test, in a systematic and independent manner, the effects of various social cues. We first introduce key technical features and concepts related to virtual reality. Next, we discuss the potential of this technology for enhancing social neuroscience protocols, drawing on illustrative experiments from the literature.

Journal ArticleDOI
TL;DR: It is suggested that symptom provocation/clinical abnormality associated with all domains except NPC and ACCOM can delay recovery after SRC in youth and adolescents.
Abstract: Background Vestibular and ocular motor impairments are routinely reported in patients with sports-related concussion (SRC) and may result in delayed return to play (RTP) The Vestibular/Ocular Motor Screening (VOMS) assessment has been shown to be consistent and sensitive in identifying concussion when used as part of a comprehensive examination To what extent these impairments or symptoms are associated with length of recovery is unknown Purpose To examine whether symptom provocation or clinical abnormality in specific domains of the VOMS results in protracted recovery (time from SRC to commencement of RTP protocol) Study design Cohort study (prognosis); Level of evidence, 2 Methods A retrospective chart review was conducted of 167 patients (69 girls, 98 boys; mean ± SD age, 15 ± 2 years [range, 11-19 years]) presenting with SRC in 2014 During the initial visit, VOMS was performed in which symptom provocation or clinical abnormality (eg, unsmooth eye movements) was documented by use of a dichotomous scale (0 = not present, 1 = present) The VOMS used in this clinic consisted of smooth pursuits (SMO_PUR), horizontal and vertical saccades (HOR_SAC and VER_SAC), horizontal and vertical vestibular ocular reflex (HOR_VOR and VER_VOR), near point of convergence (NPC), and accommodation (ACCOM) Domains were also categorized into ocular motor (SMO_PUR, HOR_SAC, VER_SAC, NPC, ACCOM) and vestibular (HOR_VOR, VER_VOR) Cox proportional hazard models were used to explore the relationship between the domains and recovery Alpha was set at P ≤ 05 Results Symptom provocation and/or clinical abnormality in all domains except NPC ( P = 107) and ACCOM ( P = 234) delayed recovery (domain, hazard ratio [95% CI]: SMO_PUR, 065 [047-090], P = 009; HOR_SAC, 068 [050-094], P = 018; VER_SAC, 055 [040-075], P Conclusion These data suggest that symptom provocation/clinical abnormality associated with all domains except NPC and ACCOM can delay recovery after SRC in youth and adolescents Thus, the VOMS not only may augment current diagnostic tools but also may serve as a predictor of recovery time in patients with SRC The findings of this study may lead to more effective prognosis of concussion in youth and adolescents

Journal ArticleDOI
TL;DR: This report envisage that this report of using relative energy differences between the 5fδ/ϕ and 5fπ*/5fσ* orbitals as a qualitative measure of overlap-driven actinyl bond covalency will spark activity, and extend to numerous applications of RIXS and HR-XANES to gain new insights into the electronic structures of the actinide elements.
Abstract: One of the long standing debates in actinide chemistry is the level of localization and participation of the actinide 5f valence orbitals in covalent bonds across the actinide series. Here we illuminate the role of the 5f valence orbitals of uranium, neptunium and plutonium in chemical bonding using advanced spectroscopies: actinide M4,5 HR-XANES and 3d4f RIXS. Results reveal that the 5f orbitals are active in the chemical bonding for uranium and neptunium, shown by significant variations in the level of their localization evidenced in the spectra. In contrast, the 5f orbitals of plutonium appear localized and surprisingly insensitive to different bonding environments. We envisage that this report of using relative energy differences between the 5fδ/φ and 5fπ*/5fσ* orbitals as a qualitative measure of overlap-driven actinyl bond covalency will spark activity, and extend to numerous applications of RIXS and HR-XANES to gain new insights into the electronic structures of the actinide elements.

Journal ArticleDOI
TL;DR: In this article, a detailed investigation of precipitation of the ordered L12 (γ) phase in a Al0.3CrCuFeNi2 high entropy alloy (HEA), more generally referred to as a complex concentrated alloy (CCA), reveals the role of copper (Cu) on stabilization and precipitation.

Journal ArticleDOI
TL;DR: This work presents a strong and ductile non-equiatomic HEA obtained after friction stir processing (FSP), which results in synergistic strengthening via TRIP, grain boundary strengthening, and effective strain partitioning between the γ and ε phases during deformation, thus leading to enhanced strength and ductility of the TRIP-assisted dual-phase HEA engineered via FSP.
Abstract: The potential of high-entropy alloys (HEAs) to exhibit an extraordinary combination of properties by shifting the compositional regime from the corners towards the centers of phase diagrams has led to worldwide attention by material scientists. Here we present a strong and ductile non-equiatomic HEA obtained after friction stir processing (FSP). A transformation-induced plasticity (TRIP) assisted HEA with composition Fe50Mn30Co10Cr10 (at.%) was severely deformed by FSP and evaluated for its microstructure-mechanical property relationship. The FSP-engineered microstructure of the TRIP HEA exhibited a substantially smaller grain size, and optimized fractions of face-centered cubic (f.c.c., γ) and hexagonal close-packed (h.c.p., e) phases, as compared to the as-homogenized reference material. This results in synergistic strengthening via TRIP, grain boundary strengthening, and effective strain partitioning between the γ and e phases during deformation, thus leading to enhanced strength and ductility of the TRIP-assisted dual-phase HEA engineered via FSP.