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The main challenge of multimodal optimization problems is identifying multiple peaks with high accuracy in multidimensional search spaces with irregular landscapes. This work proposes the Multiple Global Peaks Big Bang-Big Crunch (MGP-BBBC) algorithm, which addresses the challenge of multimodal optimization problems by introducing a specialized mechanism for each operator. The algorithm expands the Big Bang-Big Crunch algorithm, a state-of-the-art metaheuristic inspired by the universe's evolution. Specifically, MGP-BBBC groups the best individuals of the population into cluster-based centers of mass and then expands them with a progressively lower disturbance to guarantee convergence. During this process, it (i) applies a distance-based filtering to remove unnecessary elites such that the ones on smaller peaks are not lost, (ii) promotes isolated individuals based on their niche count after clustering, and (iii) balances exploration and exploitation during offspring generation to target specific accuracy levels. Experimental results on twenty multimodal benchmark test functions show that MGP-BBBC generally performs better or competitively with respect to other state-of-the-art multimodal optimizers., Comment: 16 pages

Exoskeletons can boost human strength and provide assistance to individuals with physical disabilities. However, ensuring safety and optimal performance in their design poses substantial challenges. This study presents the design process for an underactuated hand exoskeleton (U-HEx), first including a single objective (maximizing force transmission), then expanding into multi objective (also minimizing torque variance and actuator displacement). The optimization relies on a Genetic Algorithm, the Big Bang-Big Crunch Algorithm, and their versions for multi-objective optimization. Analyses revealed that using Big Bang-Big Crunch provides high and more consistent results in terms of optimality with lower convergence time. In addition, adding more objectives offers a variety of trade-off solutions to the designers, who might later set priorities for the objectives without repeating the process - at the cost of complicating the optimization algorithm and computational burden. These findings underline the importance of performing proper optimization while designing exoskeletons, as well as providing a significant improvement to this specific robotic design., Comment: 12 pages, 7 figures, 8 talbes, submitted to IEEE Transactions on Robotics

The structural and electronic properties of the CaMnGe$_2$O$_6$ and SrMnGe$_2$O$_6$ clinopyroxene systems have been investigated by means of perturbed angular correlation (PAC) measurements, performed at ISOLDE, combined with $ab-initio$ electronic structure calculations within the density functional theory (DFT) framework. The partial density of states (PDOS) of the CaMnGe$_2$O$_6$ and SrMnGe$_2$O$_6$ stable compounds has been determined, and it has been observed that the requirement of including an on-site Hubbard-$U$ potential was necessary in order to describe the highly correlated Mn $3d$-states. By considering $U_{eff}$=4 eV, we obtained a band gap width of 1.82 eV and 1.70 eV, for the CaMnGe$_2$O$_6$ and SrMnGe$_2$O$_6$, respectively. Combining electric field gradient (EFG) first principles calculations, using a supercell scheme, with experimental PAC results, we were able to infer that the Cd probe can replace either the $A$ (Ca, Sr) or the Mn sites in the crystalline structures. We also showed that Cd substitution is expected to lead to a reduction in the width of the band gap in these systems, evidencing opportunities for potential band-gap engineering.

Robotic exoskeletons can enhance human strength and aid people with physical disabilities. However, designing them to ensure safety and optimal performance presents significant challenges. Developing exoskeletons should incorporate specific optimization algorithms to find the best design. This study investigates the potential of Evolutionary Computation (EC) methods in robotic design optimization, with an underactuated hand exoskeleton (U-HEx) used as a case study. We propose improving the performance and usability of the U-HEx design, which was initially optimized using a naive brute-force approach, by integrating EC techniques such as Genetic Algorithm and Big Bang-Big Crunch Algorithm. Comparative analysis revealed that EC methods consistently yield more precise and optimal solutions than brute force in a significantly shorter time. This allowed us to improve the optimization by increasing the number of variables in the design, which was impossible with naive methods. The results show significant improvements in terms of the torque magnitude the device transfers to the user, enhancing its efficiency. These findings underline the importance of performing proper optimization while designing exoskeletons, as well as providing a significant improvement to this specific robotic design., Comment: 6 pages (+ref), 4 figures, IEEE International Conference on Robotics and Automation (ICRA) 2024

In four-dimensional scanning transmission electron microscopy (4D STEM) a focused beam is scanned over a specimen and a diffraction pattern is recorded at each position using a pixelated detector. During the experiment, it must be ensured that the scan coordinate system of the beam is correctly calibrated relative to the detector coordinate system. Various simplified and approximate models are used implicitly and explicitly for understanding and analyzing the recorded data, requiring translation between the physical reality of the instrument and the abstractions used in data interpretation. Here, we introduce a calibration method where interactive live data processing in combination with a digital twin is used to match a set of models and their parameters with the action of a real-world instrument.

Multimodal optimization is often encountered in engineering problems, especially when different and alternative solutions are sought. Evolutionary algorithms can efficiently tackle multimodal optimization thanks to their features such as the concept of population, exploration/exploitation, and being suitable for parallel computation. This paper investigates whether a less-known optimizer, the Big Bang-Big Crunch (BBBC) algorithm, is suitable for multimodal optimization. We extended BBBC and propose k-BBBC, a clustering-based multi-modal optimizer. Additionally, we introduce two post-processing methods to (i) identify the local optima in a set of retrieved solutions (i.e., a population), and (ii) quantify the number of correctly retrieved optima against the expected ones (i.e., success rate). Our results show that k-BBBC performs well even with problems having a large number of optima (tested on $379$ optima) and high dimensionality (tested on $32$ decision variables), but it becomes computationally too expensive for problems with many local optima (i.e., in the CEC'2013 benchmark set). Compared to other multimodal optimization methods, it outperforms them in terms of accuracy (in both search and objective space) and success rate (number of correctly retrieved optima) when tested on basic multimodal functions, especially when elitism is applied; however, it requires knowing the number of optima of a problem, which makes its performance decrease when tested on niching competition test CEC'2013. Lastly, we validated our proposed post-processing methods by comparing their success rate to the actual one: results suggest that these methods can be used to evaluate the performance of a multimodal optimization algorithm by correctly identifying optima and providing an indication of success -- without the need to know where the optima are located in the search space., Comment: 18 pages

Soft-growing robots are innovative devices that feature plant-inspired growth to navigate environments. Thanks to their embodied intelligence of adapting to their surroundings and the latest innovation in actuation and manufacturing, it is possible to employ them for specific manipulation tasks. The applications of these devices include exploration of delicate/dangerous environments, manipulation of items, or assistance in domestic environments. This work presents a novel approach for design optimization of soft-growing robots, which will be used prior to manufacturing to suggest engineers -- or robot designer enthusiasts -- the optimal dimension of the robot to be built for solving a specific task. I modeled the design process as a multi-objective optimization problem, in which I optimize the kinematic chain of a soft manipulator to reach targets and avoid unnecessary overuse of material and resources. The method exploits the advantages of population-based optimization algorithms, in particular evolutionary algorithms, to transform the problem from multi-objective into a single-objective thanks to an efficient mathematical formulation, the novel rank-partitioning algorithm, and obstacle avoidance integrated within the optimizer operators. I tested the proposed method on different tasks to access its optimality, which showed significant performance in solving the problem. Finally, comparative experiments showed that the proposed method works better than the one existing in the literature in terms of precision, resource consumption, and run time., Comment: 52 pages, 15 figures

We study the magneto-optical Kerr effect (MOKE) of the two-dimensional heterostructure CrI3/In2Se3/CrI3 by using density functional theory calculations and symmetry analysis. The spontaneous polarization in the In2Se3 ferroelectric layer and the antiferromagnetic ordering in CrI3 layers break the mirror symmetry and the timereversal symmetry, thus activating MOKE. We show that the Kerr angle can be switched by either the polarization or the antiferromagnetic order parameter. Our results suggest that ferroelectric and antiferromagnetic 2D heterostructures could be exploited for ultra-compact information storage devices, where the information is encoded by the two ferroelectric or the two time-reversed antiferromagnetic states, and the read-out performed optically by MOKE.

Persistent spin textures are highly desirable for applications in spintronics as they may allow for long carrier spin lifetimes. However, they are also rare as only four point groups can host such textures, and even for these four groups, the emergence of persistent spin textures requires a delicate balance between coupling parameters, which control the strength of spin-momentum interactions. We use first-principles density functional simulations to predict the possibility of achieving these desirable spin textures through the application of uniaxial stress. Hybrid organic-inorganic perovskite MPSnBr$_3$ (MP = CH$_3$PH$_3$) is a ferroelectric semiconductor which exhibits persistent spin textures in the near to its conduction band minimum and mostly Rashba type in the vicinity of its valence band maximum. Application of uniaxial stress leads to the gradual evolution of the valence bands spin textures from mostly Rashba type to persistent ones under tensile load and to pure Rashba or persistent ones under compressive load. We also report that the material exhibits flexibility, rubber-like response, and both positive and negative piezoelectric constants. Combination of such properties may create opportunities for a flexible/rubbery spintronic devices.

Twisting in bilayers introduces structural chirality with two enantiomers, i.e., left- and right-hand bilayers, depending on the oriented twist angle. The interplay between this global chirality and additional degrees of freedom, such as magnetic ordering and the local octahedral chirality arising from the geometry of the bonds, can yield striking phenomena. In this work, we focus on collinear antiferromagnetic CrI$_3$ twisted homo-bilayers, which are characterized by a staggered octahedral chirality in each monolayer. Using symmetry analysis, density functional theory and tight-binding model calculations we show that layers twisting can lower the structural and magnetic point-group symmetries, thus activating pyroelectricity and the magneto-optical Kerr effect, which would otherwise be absent in untwisted antiferromagnetic homo-bilayers. Interestingly, both electric polarization and Kerr angle are controllable by the twist angle and their sign is reversed when switching from left- to right-twisted bilayers. We further unveil the occurrence of unconventional vortices with spin textures that alternate opposite chiralities in momentum space. These findings demonstrate that the interplay between twisting and octahedral chirality in magnetic bilayers and related van der Waals heterostructures represents an extraordinary resource for tailoring their physical properties for spintronic and optoelectronic applications., Comment: Accepted by PRB; 15 pages, 9 figures, and 4 tables in main text; 10 pages, 8 figures, and 1 table in supplemental material

Metal-organic frameworks comprehend a wide class of hybrid organic-inorganic materials with general structure A$_m$BX$_n$, with $A$ and $X$ being organic molecules and B a metal cation. This often results in enhanced structural flexibility and new functionalities. Hybrid perovskites ABX$_3$ are a well-known example.} In an Iron-based perovskites, (DMA)Fe^{II-III}(COOH)_3, dimethylammonium (DMA) molecules are organized in a hexagonal structure. They are orientationally disordered at high temperatures, but order at around $T=100$~K in a peculiar toroidal pattern. Recent experimental and theoretical study suggest the appearance of ferroelectric polarization in this phase, although the measured polarization is small, and the mechanism of ferroelectricity is still debated. We formulate a Landau-type theory that clarifies the connection between the electric polarization, molecular pattern, and distortive modes of the inorganic lattice. We find a remarkable mechanism of improper ferroelectricity, analogue to the trimerization process in inorganic hexagonal ferrites and manganites, but here driven by the ordering of organic molecules in a metal-organic framework. Our study reveals an extremely rich phase diagram with the prediction of topological domain walls, where the ferroelectricity arise from tripling the unit cells due to molecular ordering. Wide domain walls with inner structure are predicted.

The moir\'e engineering of two-dimensional magnets opens unprecedented opportunities to design novel magnetic states with promises for spintronic device applications. The possibility of stabilizing skyrmions in these materials without chiral spin-orbit couplings or dipolar interactions is yet to be explored. Here, we investigate the formation and control of ground state topological spin textures (TSTs) in moir\'e CrI3 using stochastic Landau-Lifshitz-Gilbert simulations. We unveil the emergence of interlayer vortex and antivortex Heisenberg exchange fields, stabilizing spontaneous and field-assisted ground state TSTs with various topologies. The developed study accounts for the full bilayer spin dynamics, thermal fluctuations, and intrinsic spin-orbit couplings. By examining the effect of the Kitaev interaction and the next nearest-neighbor Dzyaloshinskii-Moriya interaction, we propose the latter as the unique spin-orbit coupling mechanism compatible with experiments on monolayer and twisted CrI3. Our findings contribute to the current knowledge about moir\'e skyrmionics and uncover the nature of spin-orbit coupling in CrI3.

Semi-autonomous telerobotic systems allow both humans and robots to exploit their strengths, while enabling personalized execution of a task. However, for new soft robots with degrees of freedom dissimilar to those of human operators, it is unknown how the control of a task should be divided between the human and robot. This work presents a set of interaction paradigms between a human and a soft growing robot manipulator, and demonstrates them in both real and simulated scenarios. The robot can grow and retract by eversion and inversion of its tubular body, a property we exploit to implement interaction paradigms. We implemented and tested six different paradigms of human-robot interaction, beginning with full teleoperation and gradually adding automation to various aspects of the task execution. All paradigms were demonstrated by two expert and two naive operators. Results show that humans and the soft robot manipulator can split control along degrees of freedom while acting simultaneously. In the simple pick-and-place task studied in this work, performance improves as the control is gradually given to the robot, because the robot can correct certain human errors. However, human engagement and enjoyment may be maximized when the task is at least partially shared. Finally, when the human operator is assisted by haptic feedback based on soft robot position errors, we observed that the improvement in performance is highly dependent on the expertise of the human operator., Comment: 15 pages, 14 figures

Two-dimensional ferromagnetic (2D FM) half-metal holds great potential for quantum magnetoelectronics and spintronic devices. Here, using density functional calculations and magnetic pictures, we study the electronic structure and magnetic properties of the novel van der Waals (vdW) metal-organic framework (MOF), CrCl2(N2C4H4)2, i.e. CrCl2(pyrazine)2. Our results show that CrCl2(pyrazine)2 is a 2D FM half-metal, having a strong intralayer FM coupling but a much weak interlayer one due to the vdW spacing. Its spin-polarized conduction bands are formed by the pyrazine molecular orbitals and are polarized by the robust Cr3+ local spin = 3/2. These results agree with the recent experiments [Pedersen et al., Nature Chemistry, 2018, 10, 1056]. More interestingly, CrCl2(pyrazine)2 monolayer has a strong doping tunability of the FM half-metallicity, and the FM coupling would be significantly enhanced by electron doping. Our work highlights a vital role of the organic ligand and suggests that vdW MOF is also worth exploration for new 2D magnetic materials., Comment: 9 pages, 10 figures, 4 tables

Two-dimensional (2D) hybrid organic-inorganic perovskites (HOIPs) are introducing new directions in the 2D materials landscape. The coexistence of ferroelectricity and spin-orbit interactions play a key role in their optoelectronic properties. We perform a detailed study on a recently synthesized ferroelectric 2D-HOIP, (AMP)PbI$_4$ (AMP = 4-aminomethyl-piperidinium). The calculated polarization and Rashba parameter are in excellent agreement with experimental values. We report a striking new effect, i.e., an extraordinarily large Rashba anisotropy that is tunable by ferroelectric polarization: as polarization is reversed, not only the spin texture chirality is inverted, but also the major and minor axes of the Rashba anisotropy ellipse in k-space are interchanged - a pseudo rotation. A $k \cdot p$ model Hamiltonian and symmetry-mode analysis reveal a quadrilinear coupling between the cation-rotation modes responsible for the Rashba ellipse pseudo-rotation, the framework rotation, and the polarization. These findings may provide new avenues for spin-optoelectronic devices such as spin valves or spin FETs., Comment: 19 pages, 5 figures

The interlayer van der Waals interaction in twisted bilayer graphene (tBLG) induces both in-plane and out-of-plane atomic displacements showing complex patterns that depend on the twist angle. In particular, for small twist angles, within each graphene layer, the relaxations give rise to a vortex-like displacement pattern which is known to affect the dispersion of the flat bands. Here, we focus on yet another structural property, the chirality of the twisted bilayer. We perform first-principles calculations based on density functional theory to investigate the properties induced by twist chirality in both real and momentum space. In real space, we study the interplay between twist chirality and atomic relaxation patterns. In momentum space, we investigate the spin textures around the $K$ points of the Brillouin zone, showing that alternating vortex-like textures are correlated with the chirality of tBLG. Interestingly, the helicity of each vortex is inverted by changing the chirality while the different twist angles also modify the spin textures. We discuss the origin of the spin textures by calculating the layer weights and using plot regression models., Comment: 12 pages and 7 figures in main text, 11 pages and 12 figures in supplemental material; revised according to referees' suggestions; Accepted in Phys. Rev. B

Soft robot serial chain manipulators with the capability for growth, stiffness control, and discrete joints have the potential to approach the dexterity of traditional robot arms, while improving safety, lowering cost, and providing an increased workspace, with potential application in home environments. This paper presents an approach for design optimization of such robots to reach specified targets while minimizing the number of discrete joints and thus construction and actuation costs. We define a maximum number of allowable joints, as well as hardware constraints imposed by the materials and actuation available for soft growing robots, and we formulate and solve an optimization problem to output a planar robot design, i.e., the total number of potential joints and their locations along the robot body, which reaches all the desired targets, avoids known obstacles, and maximizes the workspace. We demonstrate a process to rapidly construct the resulting soft growing robot design. Finally, we use our algorithm to evaluate the ability of this design to reach new targets and demonstrate the algorithm's utility as a design tool to explore robot capabilities given various constraints and objectives.

Multiferroics with intrinsic ferromagnetism and ferroelectricity are highly desired but rather rare, while most ferroelectric magnets are antiferromagnetic. A recent theoretical work [Phys. Rev. B {\bf 99}, 195434 (2019)] predicted that oxyhalides VO$X_2$ ($X$: halogen) monolayers are two-dimensional multiferroics by violating the empirical $d^0$ rule. Most interestingly, the member VOI$_2$ are predicted to exhibit spontaneous ferromagnetism and ferroelectricity. In this work, we extend the previous study on the structure and magnetism of VOI$_2$ monolayer by using density functional theory and Monte Carlo simulation. The presence of the heavy element iodine with a strong spin-orbit coupling leads an effective Dzyaloshinskii-Moriya interaction in the polar structure, which favors a short-period spiral a magnetic structure.. Another interesting result is that the on-site Coulomb interaction can strongly suppress the polar distortion thus leading to a ferromagnetic metallic state. Therefore, the VOI2 monolayer is either a ferroelectric insulator with spiral magnetism or a ferromagnetic metal, instead of a ferromagnetic ferroelectric system. Our study highlights the key physical role of the Dzyaloshinskii-Moriya interaction., Comment: 6 figures

The hybrid organic inorganic perovskites (HOIPs) have attracted much attention for their potential applications as novel optoelectronic devices. Remarkably, the Rashba band splitting, together with specific spin orientations in k space (i.e., spin texture), has been found to be relevant for the optoelectronic performances. In this work, by using first principles calculations and symmetry analyses, we study the electric polarization, magnetism, and spin texture properties of the antiferromagnetic (AFM) HOIP ferroelectric TMCM_MnCl3 (TMCM = (CH3)3NCH2Cl, trimethylchloromethyl ammonium). This recently synthesized compound is a prototype of order disorder and displacement-type ferroelectric with a large piezoelectric response, high ferroelectric transition temperature, and excellent photoluminescence properties [You et al., Science 357, 306 (2017)]. The most interesting result is that the inversion symmetry breaking coupled to the spin orbit coupling gives rise to a Rashba-like band splitting and a related robust persistent spin texture (PST) and/or typical spiral spin texture, which can be manipulated by tuning the ferroelectric or, surprisingly, also by the AFM magnetic order parameter. The tunability of spin texture upon switching of AFM order parameter is largely unexplored and our findings not only provide a platform to understand the physics of AFM spin texture but also support the AFM HOIP ferroelectrics as a promising class of optoelectronic materials., Comment: 24pages, 4 figures

I present the design, implementation and control of a novel, linkage-based, underactuated hand exoskeleton aimed to assist patients with hand disabilities during grasping tasks for robot assisted physical rehabilitation or robot assisted activities of daily living. Even though the proposed exoskeleton was designed with the purpose of assisting users during interactions with real objects around them, its use can be extended for haptic applications as well. In this thesis, I will deeply mention the exoskeletons in the literature, detail the design decisions and implement various control strategies to use this exoskeleton for different applications in the future., Comment: PhD thesis from Scuola Superiore Sant'Anna in 2017

Soft growing robots are proposed for use in applications such as complex manipulation tasks or navigation in disaster scenarios. Safe interaction and ease of production promote the usage of this technology, but soft robots can be challenging to teleoperate due to their unique degrees of freedom. In this paper, we propose a human-centered interface that allows users to teleoperate a soft growing robot for manipulation tasks using arm movements. A study was conducted to assess the intuitiveness of the interface and the performance of our soft robot, involving a pick-and-place manipulation task. The results show that users completed the task with a success rate of 97%, achieving placement errors below 2 cm on average. These results demonstrate that our body-movement-based interface is an effective method for control of a soft growing robot manipulator.

We present a user-friendly interface to teleoperate a soft robot manipulator in a complex environment. Key components of the system include a manipulator with a grasping end-effector that grows via tip eversion, gesture-based control, and haptic display to the operator for feedback and guidance. In the initial work, the operator uses the soft robot to build a tower of blocks, and future works will extend this to shared autonomy scenarios in which the human operator and robot intelligence are both necessary for task completion.

Finding suitable p-type dopants, as well as reliable doping and characterization methods for the emerging wide bandgap semiconductor $\beta$-$Ga_2O_3$ could strongly influence and contribute to the development of the next generation of power electronic. In this work, we combine easily accessible ion implantation, diffusion and nuclear transmutation methods to properly incorporate the Cd dopant into the $\beta$-$Ga_2O_3$ lattice, being subsequently characterized at the atomic scale with the Perturbed Angular Correlation (PAC) technique and Density Functional Theory (DFT) simulations. The acceptor character of Cd in $\beta$-$Ga_2O_3$ is demonstrated, with Cd sitting in the octahedral Ga site in the negative charge state, showing no evidence of polaron deformations nor extra point defects nearby. Furthermore, thermally activated free electrons were observed for temperatures above ~648 K with an activation energy of 0.54(1) eV. At lower temperatures the local electron transport is dominated by a tunneling process between defect levels and the Cd probe., Comment: 11 pages, 7 figures, including Supplementary Material; Corrected affiliations

Density functional theory calculations have been performed for the structural, electronic, magnetic and ferroelectric properties of a mixed-valence Fe(II)-Fe(III) formate framework [NH$_2$(CH$_3$)$_2$][Fe$^{\rm III}$Fe$^{\rm II}$(HCOO)$_6$] (DMAFeFe). Recent experiments report a spontaneous electric polarization and our calculations are in agreement with the reported experimental value. Furthermore, we shed light into the microscopic mechanism leading to the observed value and as well how to possibly enhanced the polarization. The interplay between charge ordering, dipolar ordering of DMA$^+$ cations and the induced structural distortions suggest new interesting directions to explore in these complex multifunctional hybrid perovskites.

We report a combined theoretical and experimental investigation of magnetic proximity and Hall transport in Pt/Cr bilayers. Density functional theory indicates that an interfacial magnetization can be induced in the Pt layer and a strong magnetocrystalline anisotropy with an easy axis out of plane arises in the antiferromagnet. A signal ascribed to the anomalous Hall effect is detected and associated to the interface between Pt and Cr layers. We show that this effect originates from the combination of proximity-induced magnetization and a nontrivial topology of the band structure at the interface.

Magnetic insulators are often antiferromagnetic (AFM) and layered AFM compounds usually show low ordering temperature. On the other hand, layered ferromagnetic (FM) insulators with high-TC are very rare although they could be quite useful for spintronic applications. Here, using crystal field level analysis in combination with density functional theory calculations as well as Monte Carlo simulations, we predict that the layered insulator Sr2NiRuO4 would have a strong FM coupling with TC as high as 240 K. The tetragonal crystal field in the Ni-O-Ru square plane stabilizes the S=1/2 Ni+ and S=3/2 Ru3+ states. The unique level ordering and occupation optimize the FM Ni-Ru superexchange interactions in the checkerboard arrangement, thus suggesting Sr2NiRuO4 as an unusual high-TC layered FM insulator. This work highlights the potential of charge-spin-orbital degrees of freedom for stabilizing strong FM coupling in layered oxides., Comment: 17 pages, 7 figures, 1 table