Faculty Publications

Permanent URI for this communityhttps://idr.nitk.ac.in/handle/123456789/18736

Publications by NITK Faculty

Browse

Has files: NoSubject: search.filters.subject.phase transition

Search Results

Now showing 1 - 7 of 7
  • No Thumbnail Available
    Item
    Phase transformation, structural evolution and mechanical property of nanostructured FeAl as a result of mechanical alloying
    (2009) Rajath Hegde, M.M.R.; Surendranathan, A.O.
    Objective of the work was to synthesize nanostructured FeAl alloy powder by mechanical alloying (MEA). The work concentrated on synthesis, characterization, structural and mechanical properties of the alloy. Nanostructured FeAl intermetallics were prepared directly by MEA in a high energy rate ball mill. Milling was performed under toluene solution to avoid contamination from the milling media and atmosphere. Mixtures of elemental Fe and Al were progressively transformed into a partially disordered solid solution with an average composition of Fe-50 at % Al. Phase transformation, structural changes, morphology, particle size measurement and chemical composition during MEA were investigated by X-ray diffraction (XRD), Scanning electron microscopy (SEM) and Energy dispersive X-ray spectroscopy (EDS) respectively. Vickers micro hardness (VMH) indentation tests were performed on the powders. XRD and SEM studies revealed the alloying of elemental powders as well as transition to nanostructured alloy, crystallite size of 18 nm was obtained after 28 hours of milling. Expansion/contraction in lattice parameter accompanied by reduction in crystallite size occurs during transition to nanostructured alloy. Longer milling duration introduces ordering in the alloyed powders as proved by the presence of superlattice reflection. Elemental and alloyed phase coexist while hardness increased during MEA. © 2009 Allerton Press, Inc.
  • No Thumbnail Available
    Item
    2-Methoxypyridine derivatives: Synthesis, liquid crystalline and photo-physical properties
    (Royal Society of Chemistry, 2014) Ahipa, T.N.; Vasudeva Adhikari, A.V.
    We herein report the design and synthesis of fourteen new bent shaped luminescent mesogens carrying a pyridine core substituted with various polar groups. They possess a slightly non-planar bent conformation with various intermolecular interactions, as evidenced by their single crystal X-ray diffraction study, and exhibit an ambient to elevated temperature liquid crystalline phase (N or Colr), which has been confirmed by differential scanning calorimetry, polarized optical microscopy, and powder X-ray diffraction techniques. In these compounds, the nature of polar substituents influences significantly the formation of the mesophase over a wide thermal range. The appearance of the nematic phase is due to the presence of the lateral CN group attached to the pyridine core and the terminal F or Cl substituent. The formation of a rectangular columnar phase is attributed to the absence of the lateral CN group in the pyridine core and the presence of the terminal Br, NO2 or 4-pyridyl group. © 2014 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.
  • No Thumbnail Available
    Item
    Influence of Integration of Phase Change Materials on Hydration and Microstructure Properties of Nanosilica Admixed Cementitious Mortar
    (American Society of Civil Engineers (ASCE) onlinejls@asce.org 1801 Alexander Bell DriveGEO Reston VA 20191 Alabama, 2020) Snehal, K.; Das, B.B.; Kumar, S.
    The present study demonstrates the influence of integrating phase change materials (PCMs) on hydration and microstructure properties of nanosilica admixed cementitious mortar. First, the optimized dosage of nanosilica in correspondence to compressive strength was determined. Subsequently, the desired proportion of PCMs was identified pertaining to a designated compressive strength of 35 MPa at the curing age of 28 days. The hydration and microstructure studies were carried out through thermo gravimetric analysis (TGA), X-ray diffraction (XRD), and scanning electron microscopy (SEM), respectively. Further, thermal properties were determined by means of differential scanning calorimetry (DSC). Incorporation of nanosilica into the cementitious mortar was found to have a positive influence on early strength development and durability, however, there was found to be an increase in chemical shrinkage as compared to the control mixture. PCMs integrated cementitious mortar improved the thermal efficiency as well as reduced the chemical shrinkage, but adversely affected the mechanical, hydration, and durability properties. With respect to development of compressive strength of the cementitious mortar, it is found that n-octadecane PCMs performed better amidst other PCMs, such as paraffin and sodium carbonate hydrates. Further, studies were carried out on cementitious mortar having both nanosilica (optimized proportion) and PCMs (the best performing). From the results, it is found that cementitious mortar comprising of both nanosilica and PCMs have compensated the drawbacks of one another. Blended mortar (having both nanosilica and PCMs) showed superior strength gain at early age, better durability resistance, low chemical shrinkage, and superior thermal performance. © 2020 American Society of Civil Engineers.
  • No Thumbnail Available
    Item
    Investigation of microstructure and mechanical properties of microwave consolidated TiMgSr alloy prepared by high energy ball milling
    (Elsevier B.V., 2022) Pradeep, N.B.; Rajath Hegde, M.M.R.; Rajendrachari, S.; Surendranathan, A.O.
    The nanostructured TiMgSr (at.% 70:10:20) was synthesized by ball milling process followed by cold compaction and microwave sintering. XRD results after 30 h milling showed crystallite size of ⁓41 nm with a lattice strain of 2.5% and evolution of solid solutions like Mg5.2Sr, MgTiO3. The phases formed from 30 h mechanically alloyed powder are in good agreement with TEM SADP results. Consolidation using microwave sintering resulted in the retention of nanostructure with crystallite size of 78 nm and lattice strain of 1.2%. Densification study results in porosity of 19.8% with almost 20% density reduction compared to CP-Ti. The obtained porosity has promoted density reduction along with low elastic modulus that could be biocompatible with human bone tissue. Nanoindentation test results showed a low modulus of 36 ± 7 GPa with a hardness of 1.8 ± 0.8 GPa. These results are comparable with those Ti alloys produced by various techniques and found to be relatively superior for biomedical applications. © 2022
  • No Thumbnail Available
    Item
    Insulator-to-metal-like transition in thin films of a biological metal-organic framework
    (Nature Research, 2023) Sindhu, P.; Ananthram, K.S.; Jain, A.; Tarafder, K.; Ballav, N.
    Temperature-induced insulator-to-metal transitions (IMTs) where the electrical resistivity can be altered by over tens of orders of magnitude are most often accompanied by structural phase transition in the system. Here, we demonstrate an insulator-to-metal-like transition (IMLT) at 333 K in thin films of a biological metal-organic framework (bio-MOF) which was generated upon an extended coordination of the cystine (dimer of amino acid cysteine) ligand with cupric ion (spin-1/2 system) – without appreciable change in the structure. Bio-MOFs are crystalline porous solids and a subclass of conventional MOFs where physiological functionalities of bio-molecular ligands along with the structural diversity can primarily be utilized for various biomedical applications. MOFs are usually electrical insulators (so as our expectation with bio-MOFs) and can be bestowed with reasonable electrical conductivity by the design. This discovery of electronically driven IMLT opens new opportunities for bio-MOFs, to emerge as strongly correlated reticular materials with thin film device functionalities. © 2023, The Author(s).
  • No Thumbnail Available
    Item
    An Intricate Balance of Ionicity and Covalency: Metal-Like Conduction in All-Inorganic Halide Double Perovskite Cs2AgSbCl6
    (American Chemical Society, 2025) Kalyani, M.; Ananthram, K.S.; Saha, S.; Ninawe, P.; Tarafder, K.; Ballav, N.
    Halide perovskites have recently evolved as attractive materials with enormous technological significance due to synthetic control over the structure-property relationship. Halide perovskites are often realized to be either electrical insulators or semiconductors. We present an unusual metal-like conduction (thermally deactivated) in a Pb-free all-inorganic halide double perovskite, Cs2AgSbCl6. The experimental results were understood using density functional theory studies, combined with molecular dynamics simulations and electron localization function calculations, revealing retention of the predominant ionicity of the Ag-Cl bond and an increase in the covalency of the Sb-Cl bond at an elevated temperature, which resulted in a significant change of the electronic band structure, including the density of states, thereby exhibiting an intricate balance of ionicity and covalency. A significant modulation of the electrical conductivity (more than 3 orders of magnitude) without any noticeable structural change will stimulate the investigation of hitherto unknown electronic phase transitions in halide double perovskites. Additionally, light-induced unidirectional rectification of current in Cs2AgSbCl6 was ascribed to a dynamic internal polarization effect. © 2025 American Chemical Society.
  • No Thumbnail Available
    Item
    Rotational Flexibility in Dication Drives Ambient Temperature Ferroelectricity in an Organic–Inorganic Hybrid Halide
    (John Wiley and Sons Inc, 2025) Hassan, N.; Panday, R.; Chandru, P.G.; Ananthram, K.S.; Jose, T.M.; Bhoi, U.; Sieradzki, A.; Zar?ba, J.K.; Boomishankar, R.; Tarafder, K.; Ballav, N.
    Organic–inorganic hybrid halides (OIHHs) have gained attention as potential ferroelectric materials due to structure-property synergy of the organic and inorganic constituents. This study introduces an unusual Ag(I)-based ternary OIHH, (4,4?-bpy)Ag2Br4, featuring rotational flexibility in the organic dication to induce asymmetry into the structure. The compound crystallizes in a monoclinic crystal system with a non-centrosymmetric polar P21 space group at room-temperature and undergoes a structural phase transition to a centrosymmetric phase (P21/c) at Curie temperature (Tc) of 330 K which was further supported by differential scanning calorimetry (DSC), second harmonic generation (SHG) signals, dielectric anomaly, current-voltage (I–V) profiles, and X-ray photoelectron spectroscopy (XPS) data. Ferroelectricity is confirmed through polarization–electric field (P–E) hysteresis loops and piezoresponse force microscopy (PFM), exhibiting switchable polar domains. Density functional theory (DFT) calculations revealed electronic structures of the ferroelectric and paraelectric phases, identified the (?-AgBr2)nn? inorganic anionic chain contributing to the net polarization, and in general, complemented the experimental results. Comparative studies with structurally analogous Ag(I)-based OIHHs lacking dication rotational freedom endorse the critical role of organic flexibility in driving ferroelectricity. This study provides insights into the role of organic dications in controlling ferroelectric behavior and offers a promising pathway for developing coinage metal-based OIHH ferroelectric materials. © 2025 Wiley-VCH GmbH.