New scientific approaches to development of tool materials


















While traditional approaches use essentially a random search of possible variations, Mann says, with his tool "we can follow a trajectory of change because the simulator tells you what direction you want to be changing your device.

That makes the process much faster because instead of exploring the entire space of opportunities, you can just follow a single path" that leads directly to improved performance. Since advanced solar cells often are composed of multiple layers interlaced with conductive materials to carry electric charge from one to the other, this computational tool reveals how changing the relative thicknesses of these different layers will affect the device's output.

There is a strong interplay between light propagation and the thickness of each layer and the absorption of each layer," Mann explains. Other variables that can be evaluated include the amount of doping the introduction of atoms of another element that each layer receives, or the dielectric constant of insulating layers, or the bandgap, a measure of the energy levels of photons of light that can be captured by different materials used in the layers.

This simulator is now available as an open-source tool that can be used immediately to help guide research in this field, Romano says. At this point, the simulator is based on just a one-dimensional version of the solar cell, so the next step will be to expand its capabilities to include two- and three-dimensional configurations. But even this 1D version "can cover the majority of cells that are currently under production," Romano says. Certain variations, such as so-called tandem cells using different materials, cannot yet be simulated directly by this tool, but "there are ways to approximate a tandem solar cell by simulating each of the individual cells," Mann says.

The simulator is "end-to-end," Romano says, meaning it computes the sensitivity of the efficiency, also taking into account light absorption. As described in the 21st Century Cures legislation, DDTs include biomarkers, clinical outcome assessments, and other methods, materials, or measures that aid drug development and regulatory review. To support DDT development efforts, FDA has established qualification programs for biomarkers , clinical outcome assessments , and for animal models for use under the Animal Rule.

In the best experimental systems, it is common that relatively few variables have been identified and that even fewer can be controlled experimentally. Even when important variables are accounted for, the interpretation of the experimental results may be incorrect and may lead to an erroneous conclusion. Such conclusions are sometimes overturned by the original investigator or by others when new insights from another study prompt a reexamination of older reported data.

In addition, however, erroneous information can also reach the scientific literature as a consequence of misconduct in science. What becomes of these errors or incorrect interpretations? This implies that errors will generally not long confound the direction of thinking or experimentation in actively pursued areas of research. Clearly, published experiments are not routinely replicated precisely by independent investigators.

However, each experiment is based on conclusions from prior studies; repeated failure of the experiment eventually calls into question those conclusions and leads to reevaluation of the measurements, generality, design, and interpretation of the earlier work. Thus publication of a scientific report provides an opportunity for the community at large to critique and build on the substance of the report, and serves as one stage at which errors and misinterpretations can be detected and corrected.

Each new finding is considered by the community in light of what is already known about the system investigated, and disagreements with established measurements and interpretations must be justified. For example, a particular interpretation of an electrical measurement of a material may implicitly predict the results of an optical experiment. If the reported optical results are in disagreement with the electrical interpretation, then the latter is unlikely to be correct—even though the measurements them-.

It is also possible, however, that the contradictory results are themselves incorrect, and this possibility will also be evaluated by the scientists working in the field. It is by this process of examination and reexamination that science advances. The research endeavor can therefore be viewed as a two-tiered process: first, hypotheses are formulated, tested, and modified; second, results and conclusions are reevaluated in the course of additional study.

In fact, the two tiers are interrelated, and the goals and traditions of science mandate major responsibilities in both areas for individual investigators. Importantly, the principle of self-correction does not diminish the responsibilities of the investigator in either area. The investigator has a fundamental responsibility to ensure that the reported results can be replicated in his or her laboratory. The scientific community in general adheres strongly to this principle, but practical constraints exist as a result of the availability of specialized instrumentation, research materials, and expert personnel.

Other forces, such as competition, commercial interest, funding trends and availability, or pressure to publish may also erode the role of replication as a mechanism for fostering integrity in the research process. The panel is unaware of any quantitative studies of this issue. The process of reevaluating prior findings is closely related to the formulation and testing of hypotheses.

In that setting, the precise replication of a prior result commonly serves as a crucial control in attempts to extend the original findings. It is not unusual that experimental flaws or errors of interpretation are revealed as the scope of an investigation deepens and broadens.

If new findings or significant questions emerge in the course of a reevaluation that affect the claims of a published report, the investigator is obliged to make public a correction of the erroneous result or to indicate the nature of the questions.

Occasionally, this takes the form of a formal published retraction, especially in situations in which a central claim is found to be fundamentally incorrect or irreproducible. More commonly, a somewhat different version of the original experiment, or a revised interpretation of the original result, is published as part of a subsequent report that extends in other ways the initial work.

Such behavior is, at best, a questionable research practice. Clearly, each scientist has a responsibility to foster an environment that en-. Much greater complexity is encountered when an investigator in one research group is unable to confirm the published findings of another.

In such situations, precise replication of the original result is commonly not attempted because of the lack of identical reagents, differences in experimental protocols, diverse experimental goals, or differences in personnel.

Under these circumstances, attempts to obtain the published result may simply be dropped if the central claim of the original study is not the major focus of the new study. Alternatively, the inability to obtain the original finding may be documented in a paper by the second investigator as part of a challenge to the original claim. In any case, such questions about a published finding usually provoke the initial investigator to attempt to reconfirm the original result, or to pursue additional studies that support and extend the original findings.

In accordance with established principles of science, scientists have the responsibility to replicate and reconfirm their results as a normal part of the research process. The cycles of theoretical and methodological formulation, testing, and reevaluation, both within and between laboratories, produce an ongoing process of revision and refinement that corrects errors and strengthens the fabric of research.

The panel defined a mentor as that person directly responsible for the professional development of a research trainee. The relationship of the mentor and research trainee is usually characterized by extraordinary mutual commitment and personal involvement. A mentor, as a research advisor, is generally expected to supervise the work of the trainee and ensure that the trainee's research is completed in a sound, honest, and timely manner. The ideal mentor challenges the trainee, spurs the trainee to higher scientific achievement, and helps socialize the trainee into the community.

Research mentors thus have complex and diverse roles. Many individuals excel in providing guidance and instruction as well as personal support, and some mentors are resourceful in providing funds and securing professional opportunities for their trainees. The mentoring relationship may also combine elements of other relationships, such as parenting, coaching, and guildmastering.

Many students come to respect and admire their mentors, who act as role models for their younger colleagues. However, the mentoring relationship does not always function properly or even satisfactorily. Almost no literature exists that evaluates which problems are idiosyncratic and which are systemic. However, it is clear that traditional practices in the area of mentorship and training are under stress. In some research fields, for example, concerns are being raised about how the increasing size and diverse composition of research groups affect the quality of the relationship between trainee and mentor.

As the size of research laboratories expands, the quality of the training environment is at risk CGS, a. Large laboratories may provide valuable instrumentation and access to unique research skills and resources as well as an opportunity to work in pioneering fields of science. But as only one contribution to the efforts of a large research team, a graduate student's work may become highly specialized, leading to a narrowing of experience and greater dependency on senior personnel; in a period when the availability of funding may limit research opportunities, laboratory heads may find it necessary to balance research decisions for the good of the team against the individual educational interests of each trainee.

Moreover, the demands of obtaining sufficient resources to maintain a laboratory in the contemporary research environment often separate faculty from their trainees. When laboratory heads fail to participate in the everyday workings of the laboratory—even for the most beneficent of reasons, such as finding funds to support young investigators—their inattention may harm their trainees' education.

Although the size of a research group can influence the quality of mentorship, the more important issues are the level of supervision received by trainees, the degree of independence that is appropriate for the trainees' experience and interests, and the allocation of credit for achievements that are accomplished by groups composed of individuals with different status. Certain studies involving large groups of 40 to or more are commonly carried out by collaborative or hierarchical arrangements under a single investigator.

These factors may affect the ability of research mentors to transmit the methods and ethical principles according to which research should be conducted.

Problems also arise when faculty members are not directly rewarded for their graduate teaching or training skills. Although faculty may receive indirect rewards from the contributions of well-trained graduate students to their own research as well as the satisfaction of seeing their students excelling elsewhere, these rewards may not be sufficiently significant in tenure or promotion decisions.

When institutional policies fail to recognize and reward the value of good teaching and mentorship, the pressures to maintain stable funding for research teams in a competitive environment can overwhelm the time allocated to teaching and mentorship by a single investigator.

The increasing duration of the training period in many research fields is another source of concern, particularly when it prolongs the dependent status of the junior investigator. The formal period of graduate and postdoctoral training varies considerably among fields of study. In , the median time to the doctorate from the baccalaureate degree was 6. The disciplinary median varied: 5. Students, research associates, and faculty are currently raising various questions about the rights and obligations of trainees.

Sexist behavior by some research directors and other senior scientists is a particular source of concern. Another significant concern is that research trainees may be subject to exploitation because of their subordinate status in the research laboratory, particularly when their income, access to research resources, and future recommendations are dependent on the goodwill of the mentor. Foreign students and postdoctoral fellows may be especially vulnerable, since their immigration status often depends on continuation of a research relationship with the selected mentor.

Inequalities between mentor and trainee can exacerbate ordinary conflicts such as the distribution of credit or blame for research error NAS, When conflicts arise, the expectations and assumptions. Ideally, mentors and trainees should select each other with an eye toward scientific merit, intellectual and personal compatibility, and other relevant factors.

But this situation operates only under conditions of freely available information and unconstrained choice —conditions that usually do not exist in academic research groups. The trainee may choose to work with a faculty member based solely on criteria of patronage, perceived influence, or ability to provide financial support.

Good mentors may be well known and highly regarded within their research communities and institutions. Unfortunately, individuals who exploit the mentorship relationship may be less visible.

Poor mentorship practices may be self-correcting over time, if students can detect and avoid research groups characterized by disturbing practices. However, individual trainees who experience abusive relationships with a mentor may discover only too late that the practices that constitute the abuse were well known but were not disclosed to new initiates.

It is common practice for a graduate student to be supervised not only by an individual mentor but also by a committee that represents the graduate department or research field of the student. However, departmental oversight is rare for the postdoctoral research fellow. In order to foster good mentorship practices for all research trainees, many groups and institutions have taken steps to clarify the nature of individual and institutional responsibilities in the mentor—trainee relationship.

The self-regulatory system that characterizes the research process has evolved from a diverse set of principles, traditions, standards, and customs transmitted from senior scientists, research directors, and department chairs to younger scientists by example, discussion, and informal education. The principles of honesty, collegiality, respect for others, and commitment to dissemination, critical evaluation, and rigorous training are characteristic of all the sciences. Methods and techniques of experimentation, styles of communicating findings,.

Within those disciplines, practices combine the general with the specific. Ideally, research practices reflect the values of the wider research community and also embody the practical skills needed to conduct scientific research. Practicing scientists are guided by the principles of science and the standard practices of their particular scientific discipline as well as their personal moral principles. But conflicts are inherent among these principles. For example, loyalty to one's group of colleagues can be in conflict with the need to correct or report an abuse of scientific practice on the part of a member of that group.

Because scientists and the achievements of science have earned the respect of society at large, the behavior of scientists must accord not only with the expectations of scientific colleagues, but also with those of a larger community.

As science becomes more closely linked to economic and political objectives, the processes by which scientists formulate and adhere to responsible research practices will be subject to increasing public scrutiny. This is one reason for scientists and research institutions to clarify and strengthen the methods by which they foster responsible research practices. The panel believes that the existing self-regulatory system in science is sound.

But modifications are necessary to foster integrity in a changing research environment, to handle cases of misconduct in science, and to discourage questionable research practices. Individual scientists have a fundamental responsibility to ensure that their results are reproducible, that their research is reported thoroughly enough so that results are reproducible, and that significant errors are corrected when they are recognized.

Editors of scientific journals share these last two responsibilities. Research mentors, laboratory directors, department heads, and senior faculty are responsible for defining, explaining, exemplifying, and requiring adherence to the value systems of their institutions.

The neglect of sound training in a mentor's laboratory will over time compromise the integrity of the research process. Administrative officials within the research institution also bear responsibility for ensuring that good scientific practices are observed in units of appropriate jurisdiction and that balanced reward systems appropriately recognize research quality, integrity, teaching, and mentorship.

Adherence to scientific principles and disciplinary standards is at the root of a vital and productive research environment. At present, scientific principles are passed on to trainees primarily by example and discussion, including training in customary practices. Most research institutions do not have explicit programs of instruction and discussion to foster responsible research practices, but the communication of values and traditions is critical to fostering responsible research practices and detering misconduct in science.

Efforts to foster responsible research practices in areas such as data handling, communication and publication, and research training and mentorship deserve encouragement by the entire research community. Problems have also developed in these areas that require explicit attention and correction by scientists and their institutions. If not properly resolved, these problems may weaken the integrity of the research process. Several excellent books on experimental design and statistical methods are available.

See, for example, Wilson and Beveridge For a somewhat dated review of codes of ethics adopted by the scientific and engineering societies, see Chalk et al. Selected examples of academic research conduct policies and guidelines are included in Volume II of this report. See also Holton See, for example, responses to the Proceedings of the National Academy of Sciences action against Friedman: Hamilton and Abelson et al.

See also the discussion in Bailar et al. See, for example, Culliton and Bradshaw et al. For the impact of the inability to provide corroborating data or witnesses, also see Ross et al. See, for example, the discussion on random data audits in Institute of Medicine a , pp. For a full discussion of the practices and policies that govern authorship in the biological sciences, see Bailar et al.

Note that these general guidelines exclude the provision of reagents or facilities or the supervision of research as a criteria of authorship. A full discussion of problematic practices in authorship is included in Bailar et al. A controversial review of the responsibilities of co-authors is presented by Stewart and Feder Gamarra und Associate Prof.

Note: Content may be edited for style and length. Science News. ScienceDaily, 12 January Recycling already considered in the development of new battery materials: Circular economy: challenges and future approaches for battery recycling. Retrieved January 13, from www. Featured Content.



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