Exploring complexities in the reform of assessment practice: a critical realist perspective.

Although the principles behind assessment for and as learning are well-established, there can be a struggle when reforming traditional assessment of learning to a program which encompasses assessment for and as learning. When introducing and reporting reforms, tensions in faculty may arise because of differing beliefs about the relationship between assessment and learning and the rules for the validity of assessments. Traditional systems of assessment of learning privilege objective, structured quantification of learners' performances, and are done to the students. Newer systems of assessment promote assessment for learning, emphasise subjectivity, collate data from multiple sources, emphasise narrative-rich feedback to promote learner agency, and are done with the students. This contrast has implications for implementation and evaluative research. Research of assessment which is done to students typically asks, "what works", whereas assessment that is done with the students focuses on more complex questions such as "what works, for whom, in which context, and why?" We applied such a critical realist perspective drawing on the interplay between structure and agency, and a systems approach to explore what theory says about introducing programmatic assessment in the context of pre-existing traditional approaches. Using a reflective technique, the internal conversation, we developed four factors that can assist educators considering major change to assessment practice in their own contexts. These include enabling positive learner agency and engagement; establishing argument-based validity frameworks; designing purposeful and eclectic evidence-based assessment tasks; and developing a shared narrative that promotes reflexivity in appreciating the complex relationships between assessment and learning.

Relaxation Theory for Perturbed Many-Body Quantum Systems versus Numerics and Experiment.

An analytical prediction is established of how an isolated many-body quantum system relaxes towards its thermal longtime limit under the action of a time-independent perturbation, but still remaining sufficiently close to a reference case whose temporal relaxation is known. This is achieved within the conceptual framework of a typicality approach by showing and exploiting that the time-dependent expectation values behave very similarly for most members of a suitably chosen ensemble of perturbations. The predictions are validated by comparison with various numerical and experimental results from the literature.

Typicality of Prethermalization.

Prethermalization refers to the remarkable relaxation behavior which an integrable many-body system in the presence of a weak integrability-breaking perturbation may exhibit: After initial transients have died out, it stays for a long time close to some nonthermal steady state, but on even much larger time scales, it ultimately switches over to the proper thermal equilibrium behavior. By extending Deutsch's conceptual framework from Phys. Rev. A 43, 2046 (1991)PLRAAN1050-294710.1103/PhysRevA.43.2046, we analytically predict that prethermalization is a typical feature for a very general class of such weakly perturbed systems.

Dynamical Typicality Approach to Eigenstate Thermalization.

We consider the set of all initial states within a microcanonical energy shell of an isolated many-body quantum system, which exhibit an arbitrary but fixed nonequilibrium expectation value for some given observable A. On the condition that this set is not too small, it is shown by means of a dynamical typicality approach that most such initial states exhibit thermalization if and only if A satisfies the so-called weak eigenstate thermalization hypothesis (wETH). Here, thermalization means that the expectation value of A spends most of its time close to the microcanonical value after initial transients have died out. The wETH means that, within the energy shell, most eigenstates of the pertinent system Hamiltonian exhibit very similar expectation values of A.

Typical Relaxation of Isolated Many-Body Systems Which Do Not Thermalize.

We consider isolated many-body quantum systems which do not thermalize; i.e., expectation values approach an (approximately) steady longtime limit which disagrees with the microcanonical prediction of equilibrium statistical mechanics. A general analytical theory is worked out for the typical temporal relaxation behavior in such cases. The main prerequisites are initial conditions which appreciably populate many energy levels and do not give rise to significant spatial inhomogeneities on macroscopic scales. The theory explains very well the experimental and numerical findings in a trapped-ion quantum simulator exhibiting many-body localization, in ultracold atomic gases, and in integrable hard-core boson and XXZ models.

Generalization of von Neumann's Approach to Thermalization.

Thermalization of isolated many-body systems is demonstrated by generalizing an approach originally due to von Neumann: For arbitrary initial states with a macroscopically well-defined energy, quantum mechanical expectation values become indistinguishable from the corresponding microcanonical expectation values for the overwhelming majority of all sufficiently late times. As in von Neumann's work, the eigenvectors of the Hamiltonian and of the considered observable are required to not exhibit any specially tailored (untypical) orientation relative to each other. But all of von Neumann's further assumptions about the admitted observables are abandoned.

Controlled translocation of DNA through nanopores in carbon nano-, silicon-nitride- and lipid-coated membranes.

We investigated experimentally and theoretically the translocation forces when a charged polymer is threaded through a solid-state nanopore and found distinct dependencies on the nanopore diameter as well as on the nano membrane material chemistry. For this purpose we utilized dedicated optical tweezers force mechanics capable of probing the insertion of negatively charged double-stranded DNA inside a helium-ion drilled nanopore. We found that both the diameter of the nanopore and the membrane material itself have significant influences on the electroosmotic flow through the nanopore and thus on the threading force. Compared to a bare silicon-nitride membrane, the threading of DNA through only 3 nm thin carbon nano membranes as well as lipid bilayer-coated nanopores increased the threading force by 15% or 85%, respectively. This finding was quantitatively described by our recently developed theoretical model that also incorporates hydrodynamic slip effects on the translocating DNA molecule and the force dependence on the membrane thickness. The additional measurements presented in this paper further support our model.

Hydrodynamic slip on DNA observed by optical tweezers-controlled translocation experiments with solid-state and lipid-coated nanopores.

We use optical tweezers to investigate the threading force on a single dsDNA molecule inside silicon-nitride nanopores between 6 and 70 nm in diameter, as well as lipid-coated solid-state nanopores. We observe a strong increase of the threading force for decreasing nanopore size that can be attributed to a significant reduction in the electroosmotic flow (EOF), which opposes the electrophoresis. Additionally, we show that the EOF can also be reduced by coating the nanopore wall with an electrically neutral lipid bilayer, resulting in an 85% increase in threading force. All experimental findings can be described by a quantitative theoretical model that incorporates a hydrodynamic slip effect on the DNA surface with a slip length of 0.5 nm.

A circadian clock-regulated toggle switch explains AtGRP7 and AtGRP8 oscillations in Arabidopsis thaliana.

The circadian clock controls many physiological processes in higher plants and causes a large fraction of the genome to be expressed with a 24h rhythm. The transcripts encoding the RNA-binding proteins AtGRP7 (Arabidopsis thaliana Glycine Rich Protein 7) and AtGRP8 oscillate with evening peaks. The circadian clock components CCA1 and LHY negatively affect AtGRP7 expression at the level of transcription. AtGRP7 and AtGRP8, in turn, negatively auto-regulate and reciprocally cross-regulate post-transcriptionally: high protein levels promote the generation of an alternative splice form that is rapidly degraded. This clock-regulated feedback loop has been proposed to act as a molecular slave oscillator in clock output. While mathematical models describing the circadian core oscillator in Arabidopsis thaliana were introduced recently, we propose here the first model of a circadian slave oscillator. We define the slave oscillator in terms of ordinary differential equations and identify the model's parameters by an optimization procedure based on experimental results. The model successfully reproduces the pertinent experimental findings such as waveforms, phases, and half-lives of the time-dependent concentrations. Furthermore, we obtain insights into possible mechanisms underlying the observed experimental dynamics: the negative auto-regulation and reciprocal cross-regulation via alternative splicing could be responsible for the sharply peaking waveforms of the AtGRP7 and AtGRP8 mRNA. Moreover, our results suggest that the AtGRP8 transcript oscillations are subordinated to those of AtGRP7 due to a higher impact of AtGRP7 protein on alternative splicing of its own and of the AtGRP8 pre-mRNA compared to the impact of AtGRP8 protein. Importantly, a bifurcation analysis provides theoretical evidence that the slave oscillator could be a toggle switch, arising from the reciprocal cross-regulation at the post-transcriptional level. In view of this, transcriptional repression of AtGRP7 and AtGRP8 by LHY and CCA1 induces oscillations of the toggle switch, leading to the observed high-amplitude oscillations of AtGRP7 mRNA.

Stalled response near thermal equilibrium in periodically driven systems.

The question of how systems respond to perturbations is ubiquitous in physics. Predicting this response for large classes of systems becomes particularly challenging if many degrees of freedom are involved and linear response theory cannot be applied. Here, we consider isolated many-body quantum systems which either start out far from equilibrium and then thermalize, or find themselves near thermal equilibrium from the outset. We show that time-periodic perturbations of moderate strength, in the sense that they do not heat up the system too quickly, give rise to the following phenomenon of stalled response: While the driving usually causes quite considerable reactions as long as the unperturbed system is far from equilibrium, the driving effects are strongly suppressed when the unperturbed system approaches thermal equilibrium. Likewise, for systems prepared near thermal equilibrium, the response to the driving is barely noticeable right from the beginning. Numerical results are complemented by a quantitatively accurate analytical description and by simple qualitative arguments.

Data-Driven Prediction and Uncertainty Quantification of Process Parameters for Directed Energy Deposition.

Laser-based directed energy deposition using metal powder (DED-LB/M) offers great potential for a flexible production mainly defined by software. To exploit this potential, knowledge of the process parameters required to achieve a specific track geometry is essential. Existing analytical, numerical, and machine-learning approaches, however, are not yet able to predict the process parameters in a satisfactory way. A trial-&-error approach is therefore usually applied to find the best process parameters. This paper presents a novel user-centric decision-making workflow, in which several combinations of process parameters that are most likely to yield the desired track geometry are proposed to the user. For this purpose, a Gaussian Process Regression (GPR) model, which has the advantage of including uncertainty quantification (UQ), was trained with experimental data to predict the geometry of single DED tracks based on the process parameters. The inherent UQ of the GPR together with the expert knowledge of the user can subsequently be leveraged for the inverse question of finding the best sets of process parameters by minimizing the expected squared deviation between target and actual track geometry. The GPR was trained and validated with a total of 379 cross sections of single tracks and the benefit of the workflow is demonstrated by two exemplary use cases.

Hidden multiple bond effects in dynamic force spectroscopy.

In dynamic force spectroscopy, a (bio-)molecular complex is subjected to a steadily increasing force until the chemical bond breaks. Repeating the same experiment many times results in a broad distribution of rupture forces, whose quantitative interpretation represents a formidable theoretical challenge. In this study we address the situation that more than a single molecular bond is involved in one experimental run, giving rise to multiple rupture events that are even more difficult to analyze and thus are usually eliminated as far as possible from the further evaluation of the experimental data. We develop and numerically solve a detailed model of a complete dynamic force spectroscopy experiment including a possible clustering of molecules on the substrate surface, the formation of bonds, their dissociation under load, and the postprocessing of the force extension curves. We show that the data, remaining after elimination of obvious multiple rupture events, may still contain a considerable number of hidden multiple bonds, which are experimentally indistinguishable from true single bonds, but which have considerable effects on the resulting rupture force statistics and its consistent theoretical interpretation.

On the Lubensky-Nelson model of polymer translocation through nanopores.

We revisit the one-dimensional stochastic model of an earlier study by D. K. Lubensky and D. R. Nelson for the electrically driven translocation of polynucleotides through α-hemolysin pores. We show that the model correctly describes two further important properties of the experimentally observed translocation time distributions, namely their spread (width) and their exponential decay. The resulting overall agreement between theoretical and experimental translocation time distributions is thus very good.

Long lifetime of hydrogen-bonded DNA basepairs by force spectroscopy.

Electron-tunneling data suggest that a noncovalently-bonded complex of three molecules, two recognition molecules that present hydrogen-bond donor and acceptor sites via a carboxamide group, and a DNA base, remains bound for seconds. This is surprising, given that imino-proton exchange rates show that basepairs in a DNA double helix open on millisecond timescales. The long lifetime of the three-molecule complex was confirmed using force spectroscopy, but measurements on DNA basepairs are required to establish a comparison with the proton-exchange data. Here, we report on a dynamic force spectroscopy study of complexes between the bases adenine and thymine (A-T, two-hydrogen bonds) and 2-aminoadenine and thymine (2AA-T, three-hydrogen bonds). Bases were tethered to an AFM probe and mica substrate via long, covalently linked polymer tethers. Data for bond-survival probability versus force and the rupture-force distributions were well fitted by the Bell model. The resulting lifetime of the complexes at zero pulling force was ~2 s for two-hydrogen bonds (A-T) and ~4 s for three-hydrogen bonds (2AA-T). Thus, DNA basepairs in an AFM pulling experiment remain bonded for long times, even without the stabilizing influence of base-stacking in a double helix. This result suggests that the pathways for opening, and perhaps the open states themselves, are very different in the AFM and proton-exchange measurements.

Chiral particle separation by a nonchiral microlattice.

We conceived a model experiment for a continuous separation strategy of chiral molecules (enantiomers) without the need of any chiral selector structure or derivatization agents: Microparticles that only differ by their chirality are shown to migrate along different directions when driven by a steady fluid flow through a square lattice of cylindrical posts. In accordance with our numerical predictions, the transport directions of the enantiomers depend very sensitively on the orientation of the lattice relative to the fluid flow.

Nanopore translocation dynamics of a single DNA-bound protein.

We study the translocation dynamics of a single protein molecule attached to a double-stranded DNA that is threaded through a solid-state nanopore by optical tweezers and an electric field (nanopore force spectroscopy). We find distinct asymmetric and retarded force signals that depend on the protein charge, the DNA elasticity and its counterionic screening in the buffer. A theoretical model where an isolated charge on an elastic, polyelectrolyte strand is experiencing an anharmonic nanopore potential was developed. Its results compare very well with the measured force curves and explain the experimental findings that the force depends linearly on the applied electric field and exhibits a small hysteresis during back and forth translocation cycles. Moreover, the translocation dynamics reflects the stochastic nature of the thermally activated hopping between two adjacent states in the nanopore that can be adequately described by Kramers rate theory.

Brownian motion: absolute negative particle mobility.

Noise effects in technological applications, far from being a nuisance, can be exploited with advantage - for example, unavoidable thermal fluctuations have found application in the transport and sorting of colloidal particles and biomolecules. Here we use a microfluidic system to demonstrate a paradoxical migration mechanism in which particles always move in a direction opposite to the net acting force ('absolute negative mobility') as a result of an interplay between thermal noise, a periodic and symmetric microstructure, and a biased alternating-current electric field. This counterintuitive phenomenon could be used for bioanalytical purposes, for example in the separation and fractionation of colloids, biological molecules and cells.

Refining Deutsch's approach to thermalization.

The groundbreaking investigation by Deutsch [Phys. Rev. A 43, 2046 (1991)PLRAAN1050-294710.1103/PhysRevA.43.2046] of how a closed many-body quantum system approaches thermal equilibrium is revisited. It is shown how to carry out some important steps that were missing in that paper. Moreover, the class of admitted systems is extended considerably.

Exploiting lattice potentials for sorting chiral particles.

Several ways are demonstrated of how periodic potentials can be exploited for sorting molecules or other small objects which only differ by their chirality. With the help of a static bias force, the two chiral partners can be made to move along orthogonal directions. Time-periodic external forces even lead to motion into exactly opposite directions.

Giant transversal particle diffusion in a longitudinal magnetic ratchet.

We study the transversal motion of paramagnetic particles on a uniaxial garnet film, exhibiting a longitudinal ratchet effect in the presence of an oscillating magnetic field. Without the field, the thermal diffusion coefficient obtained by video microscopy is D(0) ≈ 3 × 10(-4) µm2/s. With the field, the transversal diffusion exhibits a giant enhancement by almost four decades and a pronounced maximum as a function of the driving frequency. We explain the experimental findings with a theoretical interpretation in terms of random disorder effects within the magnetic film.