Properties Of Crystals Research Articles

Interface-driven microwave absorption enhancement in Mn-optimized Co2FeAl1-xMnx Heusler alloys

To address the urgent need for efficient and stable electromagnetic wave absorbing materials for electromagnetic interference (EMI) protection, we synthesized Co2FeAl1−xMnx Heusler soft magnetic alloys using a high-energy planetary ball milling method. We comprehensively analyzed their structural characteristics, surface morphology, magnetic properties, and electromagnetic parameters to explore their potential in electromagnetic wave absorption. The results show that incorporating manganese (Mn) significantly changes the alloys' crystal structure, surface morphology, and magnetic properties, greatly enhancing their wave absorption performance. The Mn doping specifically alters the surface morphology, which plays a crucial role in influencing the wave absorption characteristics of the Heusler alloys. When the Mn content increased to 25 %, the sample exhibits superior wave absorption, achieving the maximum reflection loss of −44.83 dB at 13.68 GHz with a thickness of 1.5 mm and an effective absorption bandwidth of 5.52 GHz. With a significant increase in the aspect ratio and noticeable changes in surface morphology, the sample with 75 % Mn content shows exceptional performance with an effective absorption bandwidth of 5.68 GHz, representing the highest effective absorption bandwidth in single-phase Heusler alloys. The Mn doping strategy effectively improves the material's impedance matching by adjusting its permittivity and permeability, facilitating multiple polarization relaxation mechanisms and significantly enhancing the alloys' electromagnetic wave absorption efficiency. Our study provides detailed experimental data for optimizing the electromagnetic wave absorption characteristics of Heusler alloys, verifies their practical application potential, and paves the way for developing new high-performance electromagnetic wave absorbing materials.

Physicochemical properties, structure and biological activity of ginger polysaccharide: Effect of microwave infrared dual-field coupled drying

Ginger was dried by microwave infrared dual-field coupled drying (MIDFCD). The composition, structure, physicochemical properties and biological activity of ginger polysaccharides at various stages of MIDFCD were investigated. The MIDFCD significantly impacted the chemical composition, molecular weight (Mw), microstructure, and physicochemical properties of ginger polysaccharides. However, there were no notable differences in functional group composition. The Mw and chemical composition were notably influenced by microwave-infrared exposure and prolonged drying time. The degradation of polysaccharides due to high temperatures in the later stage resulted in further decreases in Mw and alterations in monosaccharide composition. These changes in chemical composition and Mw affected thermal properties, crystallization properties, particle size, rheological properties, antioxidant capacity, and hypoglycemic activity. These findings suggest that MIDFCD enhances the quality and bioactivity of natural polysaccharides. This study offers theoretical support for MIDFCD processing and the value-added utilization of ginger.

Modification of microstructural, mechanical and optical properties with carbon ion irradiation in Y2SiO5 crystals

Yttrium orthosilicate Y2SiO5 crystals, a member of the silicate family, are versatile and multifunctional materials when doped with rare earth or transition metal ions. However, there have been limited investigations into the impact of ion irradiation on the crystal structure of Y2SiO5 crystals to date. In this paper, the effect of microstructure, mechanical and optical properties of Y2SiO5 crystal before and after different fluences of carbon ions irradiation was investigated utilizing complementary characterization techniques. The results indicate that carbon ion irradiation caused lattice disorder and damage, which resulted in structural deterioration and changes in optical properties, such as decrease in the optical band gap energy (from5.77 eV to 5.44 eV), changes in the effective refractive index (neff) which resulted in the formation of “well + barrier” type and “barrier” type waveguides. In addition, elastic modulus increased after carbon ion irradiation. The results will be helpful for understanding the damage study of the Y2SiO5 crystal with carbon ion irradiation and proving that ion beam techniques can be used for material modification.

Numerical simulation of the creep of a turbine blade made of a monocrystalline alloy

The article is devoted to the creep model of a monocrystalline alloy and the development of a methodology for identifying material parameters based on the results of physical experiments. A finite element analysis of the creep of a gas turbine engine blade was performed. Creep is one of the most dangerous types of deformation in the operating conditions of turbine blades. In the process of studying the problems of assessing the strength of turbine blades of aircraft engines and power plants, special attention should be paid to the study of stress redistribution during creep. The characteristics of the crystallographic structures of modern turbine blades have a very significant influence on the progress of the crack development process during engine operation. To date, turbine blades are manufactured by the method of single-crystal casting. This type of blade material structure is characterized by orthotropic mechanical properties. This study considers the steady-state creep model of an anisotropic heat-resistant single-crystal alloy with cubic symmetry. The authors carried out a numerical simulation of the material parameters using the well-known literary creep properties of single crystals. An algorithm is described that allows you to determine some creep characteristics of single crystals. The parameters of the given ratios can be obtained after conducting direct experiments, or based on micromechanical analysis, using the example of composite materials. The authors calculated the creep constants of a typical heat-resistant monocrystalline alloy as a result of the approximation of its creep curves, which were obtained experimentally. Based on the Norton-Bailey equation and using the Maple Release 2021.0 calculation complex, a graph of the dependence of the rate of creep deformation on the level of load applied to the material was plotted, and the minimum rate of deformation and creep constants were also determined. The results of the calculations were used for finite-element simulation of creep on the example of a solid-state model of a high-pressure turbine blade. Several series of calculations were carried out on the basis of the ANSYS Workbench complex, in particular, the calculation of the elastic problem when the blade is loaded by centrifugal forces, as well as the accumulation of creep deformations at different exposure times. Graphs of the change in equivalent stresses and creep deformations as a function of time are plotted.

Wood fibers with natural blowing agents for extrusion and injection molding of polypropylene

ABSTRACT This paper presents a new two-step approach of foaming polypropylene (PP) containing wood fibers (WF) with tri-sodium citrate dihydrate as the low-temperature chemical blowing agent (CBA) and sucrose as the high-temperature CBA. The first CBA was intentionally selected to thermally degrade during extrusion (lower temperature range), whereas the second CBA during the injection molding (higher temperature range). The CBAs were dissolved in water, and WF were soaked in these solutions, afterward dried, ground, and then mixed with PP and extruded. The extruded granules were then injection molded to produce dumbbell-shaped samples. The porosity, thermal degradation, PP crystallization, mechanical and thermomechanical properties of the wood-polymer composites (WPCs), as well as their susceptibility to acoustic damping, were determined. It was shown that sucrose can be an effective CBA for injection-molded WPC samples. However, the effectiveness of this additive is improved by the addition of tri-sodium citrate dihydrate, which decomposed during extrusion.

Crystal structure and magnetic properties of Yb2Pt2Pb under multi-extreme conditions

ABSTRACT Structural and magnetic properties of the Shastry-Sutherland material Yb2Pt2Pb were studied in single-crystalline form under pressures up to 10 GPa, magnetic fields up to 17 T, and temperatures down to 0.3 K. Surprisingly robust magnetic order is observed with the Néel temperature T N = 2.1 K stable up to 8.1 GPa. Indication of an additional magnetic phase formation can be traced in resistivity data for magnetic field along the c-axis exceeding the (pressure-dependent) metamagnetic transition. The related anomaly shifts to higher temperatures with increasing field, merging T N at the tricritical point. Experiments with μ0 H // [110] revealed the pressure stabilization of observed magnetic phases with respect to the magnetic field. The crystal-structure type is stable up to 10 GPa, without any sign of symmetry change, exhibiting moderate volume compressibility with bulk modulus B = 116(13) GPa, in good agreement with B = 118 GPa provided by the density functional theory.

Dumbbell Impurities in 2D Crystals of Repulsive Colloidal Spheres Trap Dislocations.

Impurity-induced defects play a crucial role for the properties of crystals, but little is known about impurities with anisotropic shape. Here, we study how colloidal dumbbells distort and interact with a hexagonal crystal of charged colloidal spheres at a fluid interface. We find that subtle differences in the dumbbell length determine whether it induces a local distortion of the lattice or traps a dislocation, and determine how the dumbbell moves inside the repulsive hexagonal lattice. Our results provide new routes toward controlling material properties and understanding fundamental questions in phase transitions through particle-bound dislocations.

Exploration of the structure, electronic and optical properties of AB 2(PO3)5 polyphosphates: a first-principle approach

The density functional theory method was applied using the gradient PBE, incorporating the hybrid PBE0 functional along with dispersion corrections D3(BJ). These objectives were accomplished through the utilization of the CRYSTAL package, employing a localized atomic orbital basis. Calculations encompassing crystal properties, including electronic, structural, and linear/nonlinear opto-electronic characteristics, were conducted for monoclinic AB 2(PO3)5. Specifically, the polyphosphates investigated in this study are RbPb2(PO3)5, CsPb2(PO3)5, KBa2(PO3)5, and RbBa2(PO3)5. It was demonstrated that in monoclinic phosphates, phosphorus and oxygen atoms form infinite chains [PO4]∞ based on the· ⋯ O1-P-O1 ⋯ ·structure. Alkali metal and lead (barium) atoms are surrounded by oxygen atoms O2, forming polyhedra. Infrared absorption spectra calculations confirmed the presence of chain backbone structural units. Additionally, band structure and partial density of electronic states were determined. The nature of valence and unoccupied states was also investigated. In lead-doped compounds, lead atoms contribute to the formation of upper-valence and lower-unoccupied states. Conversely, in barium-doped compounds, the upper valence states are primarily formed by O2 p-states, while the lower unoccupied states are formed by phosphorus. Also, the coefficients of second harmonic generation and birefringence were calculated, assessing the potential use of phosphates as nonlinear optical materials.

Electronic, optical, phonon, and thermodynamic properties of bismuth oxyhalides for photocatalysis application using density functional theory

Bismuth oxyhalide (BiOX) represents a class of layered materials distinguished by unique physicochemical and optical characteristics. This study delivers an extensive investigation into the properties of BiOX crystals, employing first-principles calculations to analyze the electronic band structure, projected density of states (PDOS), Raman and infrared (IR) spectra, dielectric functions, alongside phonon and thermodynamic properties. The computed electronic band gaps BiOI, BiOBr, BiOCl, and BiOF crystals were determined to be 2.19 eV, 3.05 eV, 3.29 eV, and 3.43 eV, respectively. Furthermore, an analysis of the PDOS for each BiOX type indicates that the valence band maximum (VBM) primarily comprises dominant O 2p and halide X np states, while the conduction band minimum (CBM) predominantly features Bi 6p states. In addition, significant absorption edges for BiOI, BiOBr, BiOCl, and BiOF crystals, oriented along the [100] axis, were observed at wavelengths of 540 nm, 449 nm, 367 nm, and 320 nm, respectively. The Raman spectral analysis revealed a noticeable shift correlating with the increasing number of halogen atoms, with intensity enhancements observed at elevated temperatures. Phonon dispersion studies corroborated the geometric stability of the optimized structures of BiOX crystals. Thermodynamic evaluations suggested that BiOX materials exhibit qualities characteristic of hard materials at higher temperatures while displaying softer material attributes at lower temperatures. In summary, this research substantially enriches the current understanding of bismuth oxyhalides by detailing their structural, electronic, optical, phonon, and thermodynamic properties. The findings presented in this study provide a foundational basis for future advancements in photocatalytic applications and material development.

Aryl/fluoroaryl-substituted triphenylene discotic liquid crystals: Synthesis, mesomorphism, and photophysical properties

Fluorine aromatic hydrocarbons are ubiquitous optoelectronic functional materials and their efficient synthetic methods are still the subject of rapid, ongoing development. Here, several aryl- and fluoroaryl-substituted triphenylenes (Ar-TP/FAr-TP) were synthesized via either Suzuki-Miyaura cross-coupling or aromatic nucleophilic substitution (SNAr) of perfluoroarenes, respectively, starting indifferently from 2-bromo-3,6,7,10,11-pentakis(hexyloxy)triphenylene (Br-TP). These compounds possess very high thermal stability with initial decomposition temperature over 300 °C, as measured by thermal gravimetric analysis (TGA). Differential scanning calorimetry (DSC), polarized optical microscopy (POM), and small/wide angle X-ray scattering (S/WAXS) revealed that they all self-organize into hexagonal columnar (Colhex) mesophase over broad temperature ranges, occurring at room temperature for some of them, with higher stability than the archetypical 2,3,6,7,10,11-hexakis(hexyloxy)triphenylene parent compound. Under the combined influence of the conjugated π-system and core-side arm distortion, the clearing temperatures and mesophase ranges increase from phenyl- (P-TP), naphthyl- (N-TP), to biphenyl-triphenylene (BP-TP). The number of fluorine atoms on the side fluoroaryl group also impacts the columnar mesomorphism: the more fluorine atoms, the higher the clearing temperatures and the wider the Colhex phase ranges, concomitantly with increasing arene-fluorarene intermolecular interactions. In addition, these compounds show blue-violet photoluminescence in solution: the largest fluorescent absolute quantum yield is measured for BP-TP (45 %), while the smallest is for 7FN-TP (10 %). Perfluoroaryls tend to lower the LUMO, which results in fluorescence red-shift. The arene-perfluoroarene polar-π interactions improve the physical properties of these FAr-TP discotic liquid crystals.

Dielectric analysis of unpolymerized and photopolymerized NOA65 in a parallel-plate cell

The flourishing development of liquid crystal research in recent decades has highlighted the importance of polymer materials in enhancing liquid–crystal material and device properties, demonstrating tremendous potential in a wide range of industries. One of the polymer materials widely used in polymer-dispersed liquid crystal is Norland UV-curable optical adhesive (NOA65). This study focuses on the dielectric behavior of the optical adhesive in a parallel-plate cell. Given the broadness and asymmetry of the dielectric dispersion curve, the two-relaxation Havriliak–Negami model was employed to analyze the complex dielectric spectra of NOA65 before and after photocuring. Experimental results indicate that as temperature rises, the dielectric relaxation of NOA65 undergoes a blue shift, leading to an eventual overlap with pseudo-dielectric relaxation at a higher frequency. This brings about an increase in the obtained signal in the dielectric loss spectrum, implying that the observed feature of pseudo-dielectric relaxation is actually superposed or contributed by the intrinsic relaxation signal. Furthermore, as temperature continues to rise, the intrinsic dielectric loss signal of NOA65 becomes untraceable beyond the frequency span within which the pseudo-dielectric relaxation signal lies.

Intrinsic scintillation performance & europium concentration effects in RbSr2I5 and RbSr2Br5 scintillators

Scintillators play crucial roles in homeland security applications like gamma ray spectroscopy and high energy X-ray radiography. For promising new scintillators, fine-tuning the luminescent dopant concentration is one avenue to further improve their performance and tailor their properties. In this work, the effects of europium dopant concentrations on the crystal growth, luminescence and scintillation properties of RbSr2Br5 and RbSr2I5 crystals was investigated. Nine transparent 7 mm diameter single crystals were grown via the Vertical Bridgman method. The optical band gap of RbSr2Br5 was 5.9 eV and that of RbSr2I5 was 4.7 eV. High scintillation performance was achieved with a relatively low europium concentration of 1 mol%. For both RbSr2Br5:Eu and RbSr2I5:Eu crystals, light yield of 60–90,000 ph/MeV, energy resolution 2.8–4.0 % at 662 keV, and X-ray afterglow 0.79–1.5 % at 2 ms were obtained.

Dy3+ doped Zn0.66Mg0.3Al2O4 nanophosphor for high dose radiation thermoluminescence dosimetric applications

Zinc Magnesium Aluminate doped with Dysprosium (Zn (1-x-y) Mg(y)Al2O4:x Dy (x=0.04 and y=0.3 mol%)) was prepared using the solution combustion synthesis method. The prepared phosphor was characterized using energy-dispersive X-ray spectroscopy, scanning electron microscopy, X-ray diffraction, transmission electron microscopy, and Fourier transform infrared, respectively, to study crystal structure, surface morphology, and vibrational properties. The thermoluminescence peak temperatures were 250°C, 248°C, and 246°C at irradiating doses of 600–1000 Gy, respectively. Through the computation of the activation energy (E), order of kinetics (b), and frequency factor (s−1), the kinetic parameters were assessed using the TL glow curve. It is observed from the TL dose-response curve that the intensity rises nearly linearly for all doses between 600 and 1000 Gy. Nanophosphor Zn0.66Mg0.3Al2O4:0.04Dy shows almost linear dose-response for a dose range of 600–1000 Gy and an optimum activation energy (E) of 0.93–0.97 eV, which makes it suitable for high-dose radiation thermoluminescence dosimetric applications.

Preparation of high transparency, thermal stability, flame retardant polymethyl methacrylate nanocomposite via gamma-radiation polymerization

Achieving flame retardancy and thermal stability in poly(methyl methacrylate) (PMMA) while maintaining its inherent high transparency presents a significant challenge. In this work, we successfully fabricated an exceptional composite (P-SiO2-PMMA) with high transparency, flame retardancy, and thermal stability using 60Co γ-ray irradiation-induced copolymerization of methyl methacrylate (MMA), 2-hydroxyethyl 2-methyl-2-propenoate phosphate (HEMAP), and nano-silica (SiO2). The impact of the HEMAP on the crystal, optical, thermal stability, and combustion behavior properties of P-SiO2-PMMA has been investigated. P-SiO2/PMMA forms a three-dimensional network cross-linked molecular chain structure, enhancing the thermal decomposition temperature (Tdi), maximum thermal decomposition temperature (Tmax), glass transition temperature (Tg), and reducing the coefficient of thermal expansion (CTE). HEMAP and SiO2 significantly enhance the flame retardancy of the material. The limiting oxygen index (LOI) value of transparent flame-retardant 20-P-SiO2/PMMA composite material increased from 17.5% for PMMA to 23.2%, with a 47.3% decrease in peak heat release rate (PHRR). The flame retardant mechanism was also investigated. This study offers a novel approach for the industrial application of high transparency, thermal stability, and halogen-free flame-retardant PMMA composite.

Optical properties of crystals and two-phase ceramics of the AgCl0.25Br0.75 – AgI system

Research of materials’ optical properties is critical for further development and manufacturing of optical products. While recently, single crystals and two-phase ceramics of the AgCl0.25Br0.75 – AgI system have been developed by the authors. This work is focused on studying the transmission ranges, refractive index dispersion, optical losses, and photoresistance of materials in the AgCl0.25Br0.75 – AgI system, as well as comparing the properties of single-crystals and ceramics. The materials are transparent in the visible and IR regions from 0.49 to 54 um, as well as in the terahertz (far IR and millimeter regions) of 300–1500 um (0.3–1.0 THz). For all compositions, the refractive index in the IR varied from 2.107 to 2.436. The materials’ absorption coefficients were (0.06–6.67) ∙ 10-4 in the middle IR, which is lower compared to other halide materials known and indicates low optical loss. Finally, both single-crystals and two-phase ceramics showed a trend towards an increase in photoresistance with a rise of the AgI content in the AgCl0.25Br0.75 solid solution. After UV irradiation, the materials showed a decrease in transmission in the visible and middle IR (to 10 µm) with negligible loss at a wavelength of 10 µm or more. For a single crystal and two samples of ceramics with a composition of 20 mol. % AgI in AgCl0.25Br0.75, a comparison of properties was conducted in this study. Based on the comparison results, close but not identical values of the refractive indices, an increase in the absorption coefficient for ceramic materials, and a low photoresistance of the sample obtained from the mechanical mixture were revealed. The last two characteristics are associated with the high heterogeneity of two-phase ceramics based on a mechanical mixture, which leads to a deterioration in functional properties. These results prove high prospects for the use of these materials in fiber optics and photonics for medical technologies, thermography, and optoelectronics.

New insights into the crystal structure and physical properties of the antiferromagnetic Mn2MAl (M = Fe, Co, Ni) alloys

New insights into the crystal structure and physical properties of the antiferromagnetic Mn2MAl (M = Fe, Co, Ni) alloys

Green synthesis of novel Z-scheme SnS2/HAp nanocomposite using Ocimum tenuiflorum leaf extract and investigation of its photocatalytic activity.

The present study focuses on the green synthesis of a novel Z-scheme SnS₂/HAp photocatalyst using Ocimum tenuiflorum (tulsi) leaf extract as a stabilizing agent. This approach not only emphasizes sustainability but also adds value to waste by extracting hydroxyapatite (HAp) from Labeo rohita fish scales, addressing the challenge of their disposal. The synthesized photocatalyst was thoroughly characterized using a range of analytical techniques to evaluate its crystal structure, optical properties, morphology, and elemental composition. The photocatalytic activity of the SnS₂/HAp composite was assessed through the degradation of gentian violet (GV) dye, a representative organic pollutant. Various reaction parameters were optimized to enhance the degradation efficiency, and the photocatalyst's performance was further tested across different water matrices. Under optimal conditions, the SnS₂/HAp photocatalyst achieved a maximum photodegradation efficiency of 97.49% with a rate constant of 0.0494min- 1 for GV dye. Additionally, it exhibited an efficiency greater than 70% against other emerging pollutants via advanced oxidation processes (AOP). The enhanced photocatalytic activity was attributed to the formation of a Z-Scheme heterojunction between SnS2 and HAp, which enhanced the charge separation efficiency and delayed the charge recombination. The study also demonstrated the photocatalyst's remarkable reusability, maintaining high performance over five cycles and across various water environments. This highlights its potential as a sustainable solution for the removal of organic pollutants from aqueous streams. Finally, a Z-scheme electron transport mechanism is proposed to explain the photodegradation process of GV dye using the SnS₂/HAp photocatalyst.

Advances in and Future Perspectives on High-Power Ceramic Lasers

Advancements in laser glass compositions and manufacturing techniques has allowed the development of a new category of high-energy and high-power laser systems which are being used in various applications, such as for fundamental research, material processing and inertial confinement fusion (ICF) technologies research. A ceramic laser is a remarkable revolution in solid state lasers. It exhibits crystalline properties, high yields, better thermal conductivity, a uniformly broadened emission cross-section, and a higher mechanical constant. Polycrystalline ceramic lasers combine the properties of glasses and crystals, which offer the unique advantages of high thermal stability, excellent optical transparency, and the ability to incorporate active laser ions homogeneously. They are less expensive and have a similar fabrication process to glass lasers. Recent developments in these classes of lasers have led to improvements in their efficiency, beam quality, and wavelength versatility, making them suitable for a broad range of applications, such as scientific research requiring ultra-fast laser pulses, medical procedures like laser surgery and high-precision cutting and welding in industrial manufacturing. The future of ceramic lasers looks promising, with ongoing research focused on enhancing their performance, developing new doping materials and expanding their functional wavelengths. The ongoing progress in high-power ceramic lasers is continuously expanding the limits of laser technology, therefore allowing the development of more powerful and efficient systems for a wide range of advanced and complex applications. In this paper, we review the advances, limitations and future perspectives of ceramic lasers.

Nanohybrids of B- and N-codoped reduced graphene oxide/CeO2–Co3O4 nanocomposite for efficient water oxidation

Transition metal oxides are well known as highly active and durable catalysts for the oxygen evolution reaction (OER). In this work, to enhance the electrocatalytic activity of CeO2 nanostructure in the water oxidation reaction, CeO2/Co3O4 and boron-nitrogen co-doped reduced graphene oxide incorporated (B,N-rGO) into CeO2/Co3O4 with a weight ratio of 3:1 of nanoparticles to graphene oxide were synthesized using co-precipitation and hydrothermal methods, respectively. The prepared materials were studied in detail regarding their crystal structure and morphological properties. The as-prepared materials were used as modified carbon paste electrodes for electrochemical water oxidation in an alkaline solution. The results showed that incorporating graphene oxide network into the nanoparticles structure enhances their OER performance. The material based on CeO2/Co3O4@B,N-rGO hybrid nanocomposite showed excellent OER activity with an overpotential of 410@10 mA cm−2, which is 240 and 140 mV less than that of the single CeO2 and CeO2/Co3O4 samples. Also, CeO2/Co3O4@B,N-rGO displayed the lowest Tafel slope and charge transfer resistance among the other catalysts. Moreover, the proposed catalyst displayed high stability and durability during OER. The enhanced OER performance of the CeO2/Co3O4@B,N-rGO is attributed to several catalytically active sites created by B and N doped rGO in the nanocomposite structure. The high performance of this catalyst results from the synergy of combining CeO2/Co3O4 nanoparticles with a three-dimensional co-doped rGO network.

High-temperature structure, elasticity, and thermal expansion of ε-ZrH1.8

Zirconium hydride is a promising candidate material for nuclear microreactor applications as a solid-state moderator component, owing to its favorable neutronics properties and good thermal stability over other metal hydrides. In the present work, the crystal structure, thermal expansion, and elastic properties of the hydrogen-rich ε phase hydride were measured at elevated temperatures in the range 300–900 K. Samples were prepared by direct hydriding Zircaloy-4 metal – a nuclear-grade zirconium alloy. Room-temperature lattice parameters agree well with those reported from literature for unalloyed zirconium hydride and fall within an observed quadratic H-content dependence. The coefficients of thermal expansion, determined from lattice expansion and dilatometry, agree well within our work but were about 30 % lower than those reported by others for unalloyed hydrides. Density functional theory-based molecular dynamics simulations were used to compare with thermal expansion and elasticity measurements. Results showed lattice parameter temperature dependence and slope of thermal expansion align with those from measurements. Based on diffraction scans at select temperatures, ε phase remained stable in air up to at least 770 K. Likewise, dilatometry showed smooth thermal expansion up to the thermal decomposition temperature around 950 K. The precise decomposition temperature was not determined via diffraction due to sparse scanning. The complete elastic property measurements were gathered for ε-phase Ziracloy-4 hydride for the first time. Young's modulus was lower compared to the metal and δ hydride phases. High-temperature elasticity measurements were limited to <350 K due to acoustic dissipation effects.