I12-JEEP: Joint Engineering, Environmental and Processing
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Diamond Proposal Number(s):
[35238]
Open Access
Abstract: Achieving wide thermal hysteresis in NiTi-based shape memory alloys is critical for coupling and sealing applications. Yet, the physical mechanisms governing this behaviour in NiTi–Nb remain disputed, which has limited the application of predictive design principles to wide-hysteresis alloys. In this study, a systematic series of NiTi–Nb alloys were investigated using differential scanning calorimetry and in situ synchrotron X-ray diffraction to separate the effects of microstructure and crystallography. Crucially, this study demonstrates that the characteristic hysteresis widening is not driven by the presence of β-Nb phase. Instead, a synergistic thermodynamic mechanism is identified, whereby Nb additions decouple the transformation temperature from crystallographic compatibility. Unlike binary NiTi, where lowering the transformation temperature naturally improves compatibility, Nb additions maintain a large lattice incompatibility even as the martensite start temperature is suppressed to low levels. At these low temperatures, the transformation entropy is intrinsically low; consequently, the system requires a significantly larger undercooling to generate the necessary driving force to overcome the strain energy barrier, resulting in a larger thermal hysteresis width. Additionally, Nb was found to enhance phase homogeneity and suppress intermediate R-phase formation. These findings provide a new, physically grounded criterion for the design of wide-hysteresis shape memory alloys.
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Sep 2026
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I12-JEEP: Joint Engineering, Environmental and Processing
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Diamond Proposal Number(s):
[38691]
Abstract: Metallic materials with nanolamellar structures, such as pearlitic steels, exhibit high strength with appropriate ductility. Considering the potential ability of such nanolamellar structures to break the traditional strength-ductility trade-off in metallic alloys, this study aims at developing a unique nanolamellar structure with superior micromechanical properties by combining two different high-entropy alloys (HEAs). Al0.1CoCrFeNi with the face-centered cubic (FCC) structure is combined with TiZrHfNbTa with the body-centered cubic (BCC) structure using high-pressure torsion (HPT) of half discs of each alloy. That way, a layered hybrid structure was formed, with layer thickness down to about 61 nm. The BCC/FCC nanolamellar hybrid structure exhibits an exceptional combination of properties with an ultimate tensile strength of 2.4 GPa, a maximum bending strength of 4.0 GPa, and a hardness of 740 Hv, while retaining some ductility/plasticity under both tensile and bending loads. Detailed analyses by synchrotron diffraction, electron microscopy and atom probe tomography suggests that these high strength and hardness, which are superior to those of nanostructured HEAs, result from: (i) extreme grain boundary strengthening from nanograins with a mean size of 22 nm, (ii) presence of defects such as dislocations in FCC and BCC, stacking faults in FCC and twins in FCC, and (iii) interphase hardening from BCC/FCC nanolamellar boundaries with about 30% contribution to the total hardness. This work demonstrates that combining two HEAs using HPT into a defect-rich hybrid nanolamellar composite forms a promising synergy of ultrahigh strength and reasonable ductility/plasticity.
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Sep 2026
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I12-JEEP: Joint Engineering, Environmental and Processing
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Kai
Zhang
,
Harry E.
Chapman
,
Imogen
Cowley
,
D. Graham
Mccartney
,
Shishira
Bhagavath
,
Samuel J.
Clark
,
Alexander
Rack
,
Robert C.
Atwood
,
Martyn A.
Jones
,
Chinnapat
Panwisawas
,
Chu Lun Alex
Leung
,
Junji
Shinjo
,
Peter D.
Lee
Diamond Proposal Number(s):
[31855, 30735]
Abstract: Porosity in laser powder-based directed energy deposition (DED) additive manufactured alloy components may compromise mechanical performance. This study demonstrates how a 0.2 wt.% addition of micron-sized La2O3 particles blended with gas atomised RR1000 Ni-based superalloy powder affect pore evolution, reducing the occurrence of porosity, especially large pores. Using correlative in situ high-speed synchrotron X-ray and infrared imaging coupled with multiphysics modelling, we reveal the underlying melt flow and pore evolution behaviour with and without La2O3 additions. The particulate addition produces a pore-lean build with notably fewer large pores. We propose this occurs through two mechanisms involving La2O3 on the surface altering thermal and fluid flow conditions within the melt pool through: (i) a reduction of melt pool surface tension gradient, and (ii) an increase in melt pool absorptivity. Additionally, we find that La2O3 enhances powder capture efficiency.
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Sep 2026
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I20-Scanning-X-ray spectroscopy (XAS/XES)
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Filip J. R.
Meysman
,
Bent
Smets
,
Silvia
Hidalgo-Martinez
,
Nathalie
Claes
,
Bob C.
Schroeder
,
Jeanine S.
Geelhoed
,
Yun
Liu
,
Jiji
Alingapoyil Choyikutty
,
Tamazouzt
Chennit
,
Thijs
Bodson
,
Alberto
Collauto
,
Maxie M.
Roessler
,
Dmitry
Karpov
,
Sylvain
Bohic
,
Matteo
Aramini
,
Shusaku
Hayama
,
Maxwell
Wetherington
,
Martijn A.
Zwijnenburg
,
Galina
Pankratova
,
Isabel
Pintelon
,
Jean-Pierre
Timmermans
,
Gert
Nuyts
,
Karolien
De Wael
,
Sara
Bals
,
Jo
Verbeeck
,
Han
Remaut
,
Henricus T. S.
Boschker
Diamond Proposal Number(s):
[31284, 36538, 38275]
Open Access
Abstract: Biobased electronics aims for disruptive innovation in sustainable electronics but is obstructed by the low intrinsic conductivity of biomaterials. Recently, fibres were discovered within the cell envelope of multi-cellular cable bacteria, which display an exceptional conductivity for a biomaterial. Yet, the molecular structure and electron transport mechanism remain unresolved, thus precluding a detailed structure-function understanding and the development of biomimetic analogues. Here, we demonstrate that each fibre embeds an extended nickel-organic framework, which consists of a bundle of intertwined nanoribbons, each built from stacked repeat units in which multiple nickel centres are linked by organic dithiolene ligands. This metal-organic supramolecular architecture provides extensive conjugation and electron delocalization, thus enabling exceptional conductance over macroscale distances. This suggests a novel design principle for bio-based electronic materials and opens possibilities for biosynthesis of metal-organic frameworks.
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Sep 2026
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I19-Small Molecule Single Crystal Diffraction
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Diamond Proposal Number(s):
[39531]
Open Access
Abstract: Estrogenic hormones are potent endocrine-disrupting contaminants that are inefficiently removed by conventional wastewater treatment processes. Herein, we evaluate a family of isoreticular amino-acid–derived metal–organic frameworks (MOFs), including multivariate variants, for the simultaneous capture of estrone (E1), 17β-estradiol (E2), estriol (E3), and 17α-ethinylestradiol (EE2) from water. Using a solid-phase extraction configuration, a leucine-based oxamidato MOF emerges as a highly efficient sorbent, achieving >90%–95% removal of all four hormones within 30 s in a single loading step, representing one of the fastest simultaneous estrogen capture systems reported to date under SPE conditions. This material exhibits exceptional regenerability, enabling near-quantitative desorption under mild conditions with minimal solvent consumption (1 mL methanol), and stable performance over at least ten reuse cycles. Notably, comparable capture efficiencies are maintained in real river-water samples, demonstrating robustness toward complex aqueous matrices. The crystal structure of a host–guest aggregate confirms estrogen encapsulation within the flexible framework, providing direct structural insight into the origin of the high capture efficiency. These results identify amino-acid–based MOFs as a highly competitive platform for rapid, regenerable, and selective estrogen capture, combining excellent performance with valuable structural insight into host–guest interactions.
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Aug 2026
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B18-Core EXAFS
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Diamond Proposal Number(s):
[33674, 35117, 35776]
Abstract: Modern water treatment and resource recovery demand materials that combine high performance with real-world durability. Traditional remediation approaches (e.g., precipitation and coagulation) have drawbacks (e.g., poor selectivity) that can be overcome using adsorption-based strategies. Metal–organic frameworks (MOFs) offer high tunability, high uptake capacities and the potential for regeneration. Translating MOF adsorbents into scalable, reliable technologies requires consistent method reporting and improved mechanistic insight, toward improving long-term stability in realistic water matrices. In this protocol, we describe how to deploy and assess the performance of MOF-based adsorbents for simultaneous heavy-metal sequestration (e.g., Pb(II), Cd(II), Ni(II) and Mn(II)) and rare-earth element recovery (e.g., Nd(III), Y(III) and Dy(III)) from complex water matrices. The workflow is broadly applicable across MOF chemistries and is illustrated using Cu(II)-based frameworks as representative model systems, synthesized at gram scale using commercially available precursors. We stabilize these frameworks through controlled defect engineering (e.g., partial metal substitution) to mitigate hydrolytic degradation and prolong operation time. We further tune morphology (e.g., nanosheets) to enhance surface accessibility and enable recyclability. For industrial applicability, we shape the MOFs into macrobeads via a green process. The procedure comprises: (i) MOF synthesis; (ii) comprehensive pre-adsorption characterization to assess crystallinity, porosity, morphology and composition using powder X-ray diffraction, nitrogen adsorption–desorption, scanning electron microscopy and inductively coupled plasma optical emission spectrometry; (iii) mechanistic adsorption assessment with kinetic, isotherm, thermodynamic, pH and selectivity analyses; (iv) regeneration and recovery workflows; and (v) deployment considerations in complex aqueous matrices, including industrial effluents, saline waters and e-waste leachates. The protocol provides a reproducible framework for implementing MOF-based adsorption technologies in water remediation and circular resource applications.
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Aug 2026
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I11-High Resolution Powder Diffraction
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Diamond Proposal Number(s):
[32893, 39378]
Open Access
Abstract: Systematic strategies to design properties such as ferroelectricity or magnetoelectric coupling are well-established in simple perovskite materials, but they remain scarce in more complex framework structures. Using a hexagonal polytype of the ternary Manganite AMnO3 (A= Ba, Sr, Ca) as a model system, we introduce a symmetry-guided design principle in which an inversion-breaking rigid-unit mode (RUM) serves as a single structural instability generating both polar and ferromagnetic orders within a bulk antiferromagnetic material. Symmetry analysis and first-principles calculations reveal that cooperative tilts of the Mn2O9 bioctahedral dimers generate a spontaneous polarization, and in the antiferromagnetically ordered state, they also induce a ferromagnetic moment. High-resolution diffraction and magnetic susceptibility measurements show that the structural and magnetic orders persist as high as 450 and 280 K, respectively, highlighting the untapped potential of framework structures that deviate from simple perovskite motifs to be designed to host useful ferroic properties. Our approach establishes a transferable symmetry-based framework for engineering ferroelectric and magnetoelectric states across chemically diverse framework architectures.
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Aug 2026
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I07-Surface & interface diffraction
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Qichun
Gu
,
Tianjun
Liu
,
Yucheng
Xu
,
Xinjuan
Li
,
Yunzhou
Deng
,
Yang
Lu
,
Youcheng
Zhang
,
Zimu
Wei
,
Xinyu
Bai
,
Capucine
Mamak
,
Yutong
Han
,
Alessandro J.
Mirabelli
,
Weidong
Xu
,
Jian
Mao
,
Caterina
Ducati
,
Henning
Sirringhaus
,
Samuel D.
Stranks
,
Miguel
Anaya
Diamond Proposal Number(s):
[32266]
Open Access
Abstract: Perovskite light-emitting diodes (PeLEDs) are promising low-cost, solution-processable, and color-pure optoelectronic devices for display and lighting applications. However, blue PeLEDs continue to lag their green and red counterparts in terms of luminance and operational lifetime, limiting their practical implementation. The performance disparity primarily arises from charge injection imbalance, which accelerates degradation at the perovskite/hole transport layer (HTL) interface under electrical bias. Here, we design a polymer blend HTL comprising poly(N-vinyl-2,7-difluoro-carbazole) (PVK-F) and poly(bis(4-phenyl)(2,4,6-trimethylphenyl)amine) (PTAA), in which strengthened van der Waals interactions promote denser molecular packing. This optimized microstructure simultaneously enhances hole mobility and wettability, enabling high-quality perovskite film formation. Consequently, PeLEDs emitting at 485 nanometers achieve an external quantum efficiency of 24.1% and luminance exceeding 26,000 candela per square meter. Moreover, the improved hole injection mitigates interfacial degradation, yielding an operational half-lifetime exceeding 700 minutes at an initial luminance of 100 candela per square meter. This work establishes polymer blending as an effective strategy for advancing the performance and stability of blue PeLEDs.
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Aug 2026
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Open Access
Abstract: This study presents a two-stage high shear-strain processing deformation technology, consisting of the intensive plastic deformation method of rotary swaging (RS), in combination with the severe plastic deformation method of continuous equal channel angular pressing (ECAP-Conform). The designed technology is experimentally tested at 25 °C, using a commercially pure titanium. Before each individual processing step, uniaxial compression testing is used to acquire stress–strain datasets to subsequently calculate the Hensel–Spittel rheology laws for both of the processing steps. These rheology models are further used to assemble Finite Element Analyses to numerically examine the stress–strain development within the studied material. The study also investigates and characterizes selected deformation parameters. Further, the predicted results are then put in correlation with the experimentally observed (sub)substructure development. The study documents that pre-processing via two passes of rotary swaging has highly positive effects on the substructure development and microstructure homogenization within the titanium workpiece, when compared to a workpiece subjected to just a single pass of ECAP-Conform. The unprocessed Ti and the Ti subjected to RS and ECAP-Conform exhibited faster work-hardening and higher flow stress than the Ti subjected solely to RS. The results also show that the two-stage high shear-strain processed titanium exhibited significantly higher homogeneity of distribution of the imposed strain than a conventional titanium subjected solely to ECAP-Conform. As confirmed by the numerical analyses, the nature of the material plastic flow during RS affected positively the homogeneity after ECAP-Conform.
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Aug 2026
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I15-Extreme Conditions
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Diamond Proposal Number(s):
[40151]
Open Access
Abstract: Pressure-driven phase transitions provide a means to modulate entropy in solids, although achieving large and reversible caloric responses remains a central challenge. The layered hybrid organic-inorganic perovskite (C9H19NH3)2CdCl4 exhibits two first-order transitions near room temperature that underpin its barocaloric response. High-pressure calorimetry combined with synchrotron X-ray diffraction shows that compression stabilizes a mixed-phase region over a wide pressure-temperature range rather than inducing a complete transformation. Consequently, the effective entropy change decreases with pressure, while a substantial reversible contribution is preserved, yielding reversible entropy and temperature changes of ΔSᵣeᵥ ≈ 136 J kg−1 K−1 and ΔTᵣeᵥ ≈ 17 K for a pressure change of 0.8 kbar. This leads to a refrigerant capacity exceeding 4 kJ kg−1 with a favorable coefficient of performance in the low-pressure regime. Notably, the large reversible temperature changes achieved at moderate pressures and close to room temperature highlight the potential of this material for solid-state cooling. Overall, these results demonstrate that high caloric performance can be achieved without complete phase transformation, reflecting a trade-off between entropy change and reversibility enabled by the structural flexibility of hybrid organic-inorganic materials.
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Aug 2026
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