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At least 19 records

Current Advances in i‐MAX Phases and their Two Dimensional Derivative i‐MXenes: Challenges and Opportunities (Adv. Electron. Mater. 21/2025)

The discovery of quaternary (M′ 2/3 M′′ 1/3 ) 2 AX phases has introduced newly ordered i-MAX phases in the MAX phase community. These atomically layered solids display in-plane chemical ordering of M′ and M′′, featuring a frustrated triangular lattice overlaid on an M′ honeycomb arrangement and an A Kagomé lattice. This unique structure gives rise to novel electronic and magnetic properties, paving the way for diverse applications and the creation of new MXenes. Both experimental and theoretical research have confirmed that these i-MAX phases can be chemically exfoliated into single- or multilayered and vacancy-ordered 2D transition metal carbides, known as i-MXenes. These 2D i-MXenes exhibit intriguing optical, electrochemical, piezoelectric, and magnetic properties, which are decidedly reliant on the surface functional groups (-F, -OH, -O). This review encompasses all available theoretical and experimental studies on i-MAX and i-MXenes, with a focus on their fundamental properties, organized in multiple sections. Along with the experimental investigation, significant attention is also directed toward theoretical predictions of potential i-MAX phases and i-MXenes, including their structural, vibrational, electronic, optical, magnetic, mechanical, piezoelectric, and electrochemical properties. This article provides a comprehensive understanding of vital properties of these materials by providing a review of foundational literature with existing challenges, limitations, and future perspectives.

electrochemical, electronic

Chemistry and Mineralogy of Antarctica Dry Valley Soils: Implications for Mars

The Antarctic Dry Valleys (ADV) comprise the largest ice-free region of Antarctica. Precipitation almost always occurs as snow, relative humidity is frequently low, and mean annual temperatures are about -20 C. The ADV soils have previously been categorized into three soil moisture regimes: subxerous, xerous and ultraxerous, based on elevation and climate influences. The subxerous regime is predominately a coastal zone soil, and has the highest average temperature and precipitation, while the ultraxerous regime occurs at high elevation (>1000 m) and have very low temperature and precipitation. The amounts and types of salts present in the soils vary between regions. The nature, origin and significance of salts in the ADV have been previously investigated. Substantial work has focused on soil formation in the ADVs, however, little work has focused on the mineralogy of secondary alteration phases. The dominant weathering process in the ADV region is physical weathering, however, chemical weathering has been well documented. The objective of this study was to characterize the chemistry and mineralogy, including the alteration mineralogy, of soils from two sites, a subxerous soil in Taylor Valley, and an ultraxerous soil in University Valley. The style of aqueous alteration in the ADVs may have implications for pedogenic processes on Mars.

Quinn, J. E.

X-ray Amorphous Components of Antarctica Dry Valley Soils: Weathering Implications for Mars

The Antarctic Dry Valleys (ADV) comprise the largest ice-free region of Antarctica. Precipitation usually occurs as snow, relative humidity is frequently low, and mean annual temperatures are about -20°C [1]. Substantial work has focused on soil formation in the ADVs [2], however, little work has focused on the mineralogy of secondary alteration phases. The dominant weathering process in the ADV region is physical weathering, however, chemical weathering has been well documented [3]. The occurrence of chemical weathering processes are suggested by the presence of clay minerals and iron and titanium oxides in soil. Previously we have investigated soils from two sites in the ADV’s and have shown evidence of chemical weathering by the presence of clay minerals (vermiculite, smectite), short-range ordered (SRO) and/or X-ray amorphous materials, and Fe- and Tioxides as well as the presence of discrete calcite crystals [4, 5]. The Chemistry and Mineralogy (CheMin) instrument onboard the Mars Curiosity rover has detected abundant amounts (approx. 25-30 wt. %) of X-ray amorphous materials in a windblown deposit or “soil” (Rocknest) and in a sedimentary rocks [6,7,8]. The occurrence of large amounts of X-ray amorphous materials in Mars sediments is surprising because these materials are usually present in small quantities in terrestrial environments. The objective of this study is to further characterize the chemistry and mineralogy, specifically the secondary alteration mineralogy and the presence of X-ray amorphous material, of soils from two sites we have previously studied, a subxerous soil in Taylor Valley, and an ultraxerous soil in University Valley. While the chemical alteration processes and mineralogy of the ADV has been documented previously, there has been limited discussion on the occurrence and formation of X-ray amorphous and SRO materials in Antarctica soils. The process of aqueous alteration in the ADVs may have implications for pedogenic processes on Mars, and may lead to a better understanding to the abundance of amorphous material found in sediments in Gale crater.

Quinn, J. E.

A Mars/phobos Transportation System

A transportation system will be necessary to support construction and operation of bases on Phobos and Mars beginning in the year 2020 or later. An approach to defining a network of vehicles and the types of vehicles which may be used in the system are presented. The network will provide a convenient, integrated means for transporting robotically constructed bases to Phobos and Mars. All the technology needed for the current plan is expected to be available for use at the projected date of cargo departure from the Earth system. The modular design of the transportation system provides easily implemented contingency plans, so that difficulties with any one vehicle will have a minimal effect on the progress of the total mission. The transportation network proposed consists of orbital vehicles and atmospheric entry vehicles. Initially, only orbital vehicles will participate in the robotic construction phase of the Phobos base. The Interplanetary Transfer Vehicle (ITV) will carry the base and construction equipment to Phobos where the Orbital Maneuvering Vehicles (OMV's) will participate in the initial construction of the base. When the Mars base is ready to be sent, one or more ITV's will be used to transport the atmospheric entry vehicles from Earth. These atmospheric vehicles are the One Way Landers (OWL's) and the Ascent/Descent Vehicles (ADV's). They will be used to carry the base components and/or construction equipment. The OMV's and the Orbital Transfer Vehicles (OTV's) will assist in carrying the atmospheric entry vehicles to low Martian orbit where the OWL's or ADV's will descent to the planet surface. The ADV's were proposed to accommodate expansion of the system. Additionally, a smaller version of the ADV class is capable of transporting personnel between Mars and Phobos.

Source record

Mineralogy of Antarctica Dry Valley Soils: Implications for Pedogenic Processes on Mars

The Antarctic Dry Valleys (ADVs) located in the Transantarctic Mountains are the coldest and driest locations on Earth. The mean annual air temperature is -20 C or less and the ADVs receive 100mm or less of precipitation annually in the form of snow. The cold and dry climate in the ADVs is one of the best terrestrial analogs for the climatic conditions on Mars [2]. The soils in the ADVs have been categorized into three soil moisture zones: subxerous, xerous and ultraxerous. The subxerous zone is a coastal region in which soils have ice-cemented permafrost relatively close to the surface. Moisture is available in relatively large amounts and soil temperatures are above freezing throughout the soil profile (above ice permafrost) in summer months. The xerous zone, the most widespread of the three zones, is an inland region with a climate midway between the subxerous and ultraxerous. The soils from this zone have dry permafrost at moderate depths (30-75cm) but have sufficient water in the upper soil horizons to allow leaching of soluble materials. The ultraxerous zone is a high elevation zone, where both temperature and precipitation amounts are very low resulting in dry permafrost throughout the soil profile. The three moisture regime regions are similar to the three microclimatic zones (coastal thaw, inland mixed, stable upland) defined by Marchant and Head.

Quinn, J. E.

X-ray Amorphous Materials in Soils from the Antarctica Dry Valleys: Insights into Aqueous Alteration Processes on Mars

The CheMin XRD instrument onboard the Curiosity rover has discovered abundant quantities of X-ray amorphous materials (25-40 wt. %) in windblown deposits and sedimentary rocks on Mars. The large amounts of X-ray amorphous materials on Mars is surprising because these materials are usually not found in large abundances in terrestrial soils. We have previously identified short-range ordered or X-ray amorphous materials in Antarctica Dry Valleys (ADV) soils. The ADV are one of the driest and coldest environments on Earth and provide an ideal process analog environment for Mars. The objective of this study was to further characterize the chemistry and mineralogy of ADV soils, specifically to quantify and characterize the X-ray amorphous materials. Two soils were characterized from different elevations in the ADV - a low elevation, coastal, subxerous soil in Taylor Valley and a high elevation, ultraxerous soil in University Valley. Rietveld analysis of XRD patterns generated with a CheMin-like analog instrument indicated up to 40 and 15 wt. % X-ray amorphous materials in the Taylor and University Valley soils, respectively. The high abundance of X-ray amorphous materials in Taylor Valley is surprising for one of the driest places on Earth. These materials may have been physically and chemical altered during soil formation, however, the limited interaction with water and low temperatures may have resulted in the formation of “immature” X-ray amorphous or SRO materials. Perhaps, a similar process contributes to the formation of the high content of X-ray amorphous materials detected on Mars.

Antarctica

Studies on disease transmission in spacecraft environments

The effects of the Skylab gas mixtures on general health and immunocompetence of mice and ferrets subjected to the Skylab space cabin environment (SCE) were initially studied in a stainless steel low pressure facility which was maintained at gas ratios of 30% nitrogen and 70% oxygen under 5 psia, and which consisted of two subchambers, that permitted mutual isolation of experimental groups and/or selective removal of animals without return of the entire cabin to ambient pressure was developed. The studies demonstrated that ferrets immunized with Brucella Strain 19 prior to being housed in SCE had decreased synthesis of IgG compared to their respective controls. The possibility of latent infections being responsible for stress-induced upper respiratory diseases of astronauts required that the role of neutralizing antibody as a function of antibody affinity/avidity be investigated. The model consisted of Aleutian disease virus (ADV) which infects ferrets and mink resulting in nonneutralized immune complexes. These studies demonstrated that early antibody to ADV had lower affinity/avidity than late antibody with respect to chronicity. These studies culminated in a description of antibody affinity, first isolation of ADV and its cultivation in vitro.

Kenyon, A. J.

Learning turbulent flows with generative models for super resolution and sparse flow reconstruction

Neural operators are promising surrogates for dynamical systems but when trained with standard L 2 losses they tend to oversmooth fine-scale turbulent structures. Here, we show that combining operator learning with generative modeling overcomes this limitation. We consider three practical turbulent-flow challenges where conventional neural operators fail: spatio-temporal super-resolution, forecasting, and sparse flow reconstruction. For Schlieren jet super-resolution, an adversarially trained neural operator (adv-NO) reduces the energy-spectrum error by 15 × while preserving sharp gradients at neural operator-like inference cost. For 3D homogeneous isotropic turbulence, adv-NO trained on only 160 timesteps from a single trajectory forecasts accurately for five eddy-turnover times and offers 114 × wall-clock speed-up at inference than the baseline diffusion-based forecasters, enabling near-real-time rollouts. For reconstructing cylinder wake flows from highly sparse Particle Tracking Velocimetry-like inputs, a conditional generative model infers full 3D velocity and pressure fields with correct phase alignment and statistics. These advances enable accurate reconstruction and forecasting at low compute cost, bringing near-real-time analysis and control within reach in experimental and computational fluid mechanics.

Fluid dynamics

A physically consistent model for artificial dissipation in transonic potential flow computations

The effect that artificial dissipation has on numerical solutions of the transonic Full Potential Equation (FPE) are investigated by comparing the artificially dissipative FPE to a Physically Dissipative Potential (PDP) equation. Analytic expressions were derived from the variables C and M sub c that are used in the artificial density formulation. It was shown that these new values generate artificial dissipation which is equivalent to the physical dissipation existing in the PDP equation. The new expression for the variables C and M sub c can easily be incorporated into the existing full potential codes which are based either on the artificial density or on the artificial viscosity formulation. A comparison of Physically Dissipative Potential (PDP), Artificial Density or Viscosity (ADV), Artificial Mass Flux (AMF), and ADV with variable C and M sub c formulation (MCC) is also presented.

Dulikravich, George S.

Efficient Unstructured Grid Adaptation Methods for Sonic Boom Prediction

This paper examines the use of two grid adaptation methods to improve the accuracy of the near-to-mid field pressure signature prediction of supersonic aircraft computed using the USM3D unstructured grid flow solver. The first method (ADV) is an interactive adaptation process that uses grid movement rather than enrichment to more accurately resolve the expansion and compression waves. The second method (SSGRID) uses an a priori adaptation approach to stretch and shear the original unstructured grid to align the grid with the pressure waves and reduce the cell count required to achieve an accurate signature prediction at a given distance from the vehicle. Both methods initially create negative volume cells that are repaired in a module in the ADV code. While both approaches provide significant improvements in the near field signature (< 3 body lengths) relative to a baseline grid without increasing the number of grid points, only the SSGRID approach allows the details of the signature to be accurately computed at mid-field distances (3-10 body lengths) for direct use with mid-field-to-ground boom propagation codes.

Campbell, Richard L.

Coordinating Chemical and Mineralogical Analyses of Antarctic Dry Valley Sediments as Potential Analogs for Mars

The Antarctic Dry Valleys (ADV) provide a unique terrestrial analog for Martian surface processes as they are extremely cold and dry sedimentary environments. The surface geology and the chemical composition of the Dry Valleys that are similar to Mars suggest the possible presence of these soil-formation processes on Mars. The soils and sediments from Wright Valley, Antarctica were investigated in this study to examine mineralogical and chemical changes along the surface layer in this region and as a function of depth. Surface samples collected near Prospect Mesa and Don Juan Pond of the ADV were analyzed using visible/near-infrared (VNIR) and mid-IR reflectance spectroscopy and major and trace element abundances.

Patel, S. N.

Correction: Anharmonic effects on the dynamical stability of Ce–Co–Cu intermetallic ternary compounds

Correction for ‘Anharmonic effects on the dynamical stability of Ce–Co–Cu intermetallic ternary compounds’ by Wei-Shen Tee et al., RSC Adv., 2026, 16, 14395–14405, https://doi.org/10.1039/D5RA09680D. In the original article, the Acknowledgements section was omitted. The Acknowledgements section for this article is given below.

Tee, Wei-Shen [Ames Laboratory (AMES), Ames, IA (U

Polarization and domains in wurtzite ferroelectrics: Fundamentals and applications

The 2019 report of ferroelectricity in (Al,Sc)N [Fichtner et al., J. Appl. Phys. 125, 114103 (2019)] broke a long-standing tradition of considering AlN the textbook example of a polar but non-ferroelectric material. Combined with the recent emergence of ferroelectricity in HfO2-based fluorites [Böscke et al., Appl. Phys. Lett. 99, 102903 (2011)], these unexpected discoveries have reinvigorated studies of integrated ferroelectrics, with teams racing to understand the fundamentals and/or deploy these new materials—or, more correctly, attractive new capabilities of old materials—in commercial devices. The five years since the seminal report of ferroelectric (Al,Sc)N [Fichtner et al., J. Appl. Phys. 125, 114103 (2019)] have been particularly exciting, and several aspects of recent advances have already been covered in recent review articles [Jena et al., Jpn. J. Appl. Phys. 58, SC0801 (2019); Wang et al., Appl. Phys. Lett. 124, 150501 (2024); Kim et al., Nat. Nanotechnol. 18, 422–441 (2023); and F. Yang, Adv. Electron. Mater. 11, 2400279 (2024)]. We focus here on how the ferroelectric wurtzites have made the field rethink domain walls and the polarization reversal process—including the very character of spontaneous polarization itself—beyond the classic understanding that was based primarily around perovskite oxides and extended to other chemistries with various caveats. The tetrahedral and highly covalent bonding of AlN along with the correspondingly large bandgap lead to fundamental differences in doping/alloying, defect compensation, and charge distribution when compared to the classic ferroelectric systems; combined with the unipolar symmetry of the wurtzite structure, the result is a class of ferroelectrics that are both familiar and puzzling, with characteristics that seem to be perfectly enabling and simultaneously nonstarters for modern integrated devices. The goal of this review is to (relatively) quickly bring the reader up to speed on the current—at least as of early 2025—understanding of domains and defects in wurtzite ferroelectrics, covering the most relevant work on the fundamental science of these materials as well as some of the most exciting work in early demonstrations of device structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC

From prediction to experimental realization of ferroelectric wurtzite Al1− x Gd x N alloys

AlN-based alloys find widespread application in high-power microelectronics, optoelectronics, and electromechanics. The realization of ferroelectricity in wurtzite AlN-based heterostructural alloys has opened up the possibility of directly integrating ferroelectrics with conventional microelectronics based on tetrahedral semiconductors, such as Si, SiC, and III–Vs, enabling compute-in-memory architectures, high-density data storage, and more. The discovery of AlN-based wurtzite ferroelectrics has been driven to date by chemical intuition and empirical explorations. Here, we demonstrate the computationally-guided discovery and experimental demonstration of new ferroelectric wurtzite Al1−xGdxN alloys. First-principles calculations indicate that the minimum energy pathway for switching changes from a collective to an individual switching process with a lower overall energy barrier, at a rare-earth fraction x with x > 0.10–0.15. Experimentally, ferroelectric switching is observed at room temperature in Al1−xGdxN films with x > 0.12, which strongly supports the switching mechanisms in wurtzite ferroelectrics proposed previously [Lee et al., Sci. Adv. 10, eadl0848 (2024)]. This is also the first demonstration of ferroelectricity in an AlN-based alloy with a magnetic rare-earth element, which could pave the way for additional functionalities such as multiferroicity and opto-ferroelectricity in this exciting class of AlN-based materials.

36 MATERIALS SCIENCE

DFT-based insight into finite-temperature properties of ferroelectric perovskites with lone-pair: the case of CsGeX 3 (X = Cl, Br, I)

Ferroelectrics remain in the focus of scientific attention for decades owing to their fundamental and practical appeal. Recently, ferroelectricity has been demonstrated in semiconducting halide perovskites (Zhang et al 2022 Sci. Adv. 8 eabj5881), offering both a rare combination of ferroelectricity and semiconductivity in the same material and a possible alternative to the prevailing perovskite oxide ferroelectrics. We propose a route to simulating such materials at finite temperatures capable of reproducing key experimental and first-principle data, such as Curie temperature, phase transition sequence, spontaneous polarization, and soft mode frequencies. The key methodological finding is the superior performance of hybrid exchange correlation functionals in parametrization of effective Hamiltonians for ferroelectrics with lone pair. The parametrization for effective Hamiltonians for CsGeX 3 (X = Cl, Br, I) is reported. The application of methodology to study polarization reversal in CsGeX 3 allows for the development of a ‘minimalistic’ model for polarization reversal in ferroelectrics that provides an insight into the mechanisms of polarization reversal and its key features, such as the relationship between the coercive field, temperature, and AC field frequency. Importantly, the model reveals the origin of the well-known and ever-puzzling overestimation of coercive fields in computations. Furthermore, we report a variety of finite-temperature properties of CsGeX 3 ferroelectrics, such as dielectric susceptibility, pyroelectric coefficients, and energy storage density, which reveal that these halide perovskites possess properties comparable to their oxide counterparts. Here, we believe that our work provides significant methodological advancements, deepens fundamental understanding of ferroelectrics, and reveals the potential of halide perovskite ferroelectrics.

effective Hamiltonian